USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 40:sc= 1.14 USER MOD Single : A 6 SER OG : rot -5:sc= 0.926 USER MOD Single : A 8 SER OG : rot 42:sc= 0.0267 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 168:sc= 0.23 USER MOD Single : A 17 ASN : amide:sc= -3.97! C(o=-4!,f=-5.6!) USER MOD Single : A 24 ASN : amide:sc= -0.921 K(o=-0.92,f=-1.5) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.02 K(o=-2,f=-8.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= -0.0787 (180deg=-0.487) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -46:sc= 0.195 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0854 USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -0.172 (180deg=-0.724) USER MOD Single : A 62 ASN : amide:sc= -1.54! C(o=-1.5!,f=-4.3!) USER MOD Single : A 67 THR OG1 : rot -28:sc= 0.142 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0118 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.276 -4.057 -0.132 1.00 0.00 N ATOM 2 CA GLY A 1 -13.924 -3.667 1.221 1.00 0.00 C ATOM 3 C GLY A 1 -14.299 -2.231 1.527 1.00 0.00 C ATOM 4 O GLY A 1 -15.265 -1.973 2.245 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.999 -5.047 -0.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.303 -3.959 -0.266 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.779 -3.445 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.424 -4.328 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.852 -3.798 1.366 1.00 0.00 H new ATOM 8 N SER A 2 -13.531 -1.292 0.982 1.00 0.00 N ATOM 9 CA SER A 2 -13.784 0.127 1.205 1.00 0.00 C ATOM 10 C SER A 2 -13.657 0.912 -0.097 1.00 0.00 C ATOM 11 O SER A 2 -13.314 0.356 -1.140 1.00 0.00 O ATOM 12 CB SER A 2 -12.812 0.682 2.247 1.00 0.00 C ATOM 13 OG SER A 2 -11.468 0.436 1.872 1.00 0.00 O ATOM 0 H SER A 2 -12.729 -1.488 0.383 1.00 0.00 H new ATOM 0 HA SER A 2 -14.803 0.236 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.970 1.754 2.362 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.012 0.224 3.216 1.00 0.00 H new ATOM 0 HG SER A 2 -10.866 0.802 2.553 1.00 0.00 H new ATOM 19 N SER A 3 -13.935 2.210 -0.027 1.00 0.00 N ATOM 20 CA SER A 3 -13.856 3.073 -1.200 1.00 0.00 C ATOM 21 C SER A 3 -13.251 4.426 -0.838 1.00 0.00 C ATOM 22 O SER A 3 -13.500 4.962 0.241 1.00 0.00 O ATOM 23 CB SER A 3 -15.245 3.270 -1.810 1.00 0.00 C ATOM 24 OG SER A 3 -15.782 2.038 -2.262 1.00 0.00 O ATOM 0 H SER A 3 -14.217 2.687 0.829 1.00 0.00 H new ATOM 0 HA SER A 3 -13.211 2.589 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.912 3.711 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.184 3.971 -2.642 1.00 0.00 H new ATOM 0 HG SER A 3 -16.671 2.190 -2.646 1.00 0.00 H new ATOM 30 N GLY A 4 -12.453 4.974 -1.751 1.00 0.00 N ATOM 31 CA GLY A 4 -11.824 6.259 -1.511 1.00 0.00 C ATOM 32 C GLY A 4 -10.499 6.130 -0.785 1.00 0.00 C ATOM 33 O GLY A 4 -10.086 5.028 -0.425 1.00 0.00 O ATOM 0 H GLY A 4 -12.232 4.550 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.665 6.766 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.496 6.885 -0.925 1.00 0.00 H new ATOM 37 N SER A 5 -9.831 7.259 -0.571 1.00 0.00 N ATOM 38 CA SER A 5 -8.542 7.267 0.111 1.00 0.00 C ATOM 39 C SER A 5 -8.145 8.686 0.505 1.00 0.00 C ATOM 40 O SER A 5 -8.543 9.656 -0.140 1.00 0.00 O ATOM 41 CB SER A 5 -7.464 6.653 -0.784 1.00 0.00 C ATOM 42 OG SER A 5 -7.381 5.251 -0.594 1.00 0.00 O ATOM 0 H SER A 5 -10.161 8.180 -0.860 1.00 0.00 H new ATOM 0 HA SER A 5 -8.635 6.669 1.018 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.688 6.869 -1.829 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.500 7.111 -0.563 1.00 0.00 H new ATOM 0 HG SER A 5 -8.283 4.880 -0.495 1.00 0.00 H new ATOM 48 N SER A 6 -7.357 8.799 1.570 1.00 0.00 N ATOM 49 CA SER A 6 -6.908 10.100 2.054 1.00 0.00 C ATOM 50 C SER A 6 -5.668 9.954 2.931 1.00 0.00 C ATOM 51 O SER A 6 -5.503 8.957 3.633 1.00 0.00 O ATOM 52 CB SER A 6 -8.025 10.788 2.841 1.00 0.00 C ATOM 53 OG SER A 6 -9.097 11.155 1.990 1.00 0.00 O ATOM 0 H SER A 6 -7.017 8.006 2.114 1.00 0.00 H new ATOM 0 HA SER A 6 -6.651 10.713 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.389 10.120 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.631 11.675 3.338 1.00 0.00 H new ATOM 0 HG SER A 6 -8.854 10.968 1.059 1.00 0.00 H new ATOM 59 N GLY A 7 -4.797 10.958 2.884 1.00 0.00 N ATOM 60 CA GLY A 7 -3.582 10.923 3.677 1.00 0.00 C ATOM 61 C GLY A 7 -3.016 9.523 3.811 1.00 0.00 C ATOM 62 O GLY A 7 -3.073 8.923 4.884 1.00 0.00 O ATOM 0 H GLY A 7 -4.911 11.794 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.835 11.571 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.788 11.325 4.669 1.00 0.00 H new ATOM 66 N SER A 8 -2.470 9.001 2.717 1.00 0.00 N ATOM 67 CA SER A 8 -1.897 7.660 2.715 1.00 0.00 C ATOM 68 C SER A 8 -0.372 7.721 2.727 1.00 0.00 C ATOM 69 O SER A 8 0.239 8.432 1.928 1.00 0.00 O ATOM 70 CB SER A 8 -2.377 6.879 1.491 1.00 0.00 C ATOM 71 OG SER A 8 -2.161 7.614 0.299 1.00 0.00 O ATOM 0 H SER A 8 -2.412 9.486 1.821 1.00 0.00 H new ATOM 0 HA SER A 8 -2.231 7.148 3.618 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.851 5.926 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.438 6.651 1.594 1.00 0.00 H new ATOM 0 HG SER A 8 -1.282 8.046 0.336 1.00 0.00 H new ATOM 77 N THR A 9 0.237 6.970 3.639 1.00 0.00 N ATOM 78 CA THR A 9 1.689 6.939 3.757 1.00 0.00 C ATOM 79 C THR A 9 2.228 5.530 3.540 1.00 0.00 C ATOM 80 O THR A 9 3.284 5.346 2.934 1.00 0.00 O ATOM 81 CB THR A 9 2.152 7.446 5.136 1.00 0.00 C ATOM 82 OG1 THR A 9 3.582 7.495 5.186 1.00 0.00 O ATOM 83 CG2 THR A 9 1.631 6.546 6.246 1.00 0.00 C ATOM 0 H THR A 9 -0.253 6.375 4.307 1.00 0.00 H new ATOM 0 HA THR A 9 2.083 7.599 2.984 1.00 0.00 H new ATOM 0 HB THR A 9 1.750 8.448 5.284 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.868 7.820 6.065 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.971 6.924 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.541 6.535 6.224 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.007 5.533 6.100 1.00 0.00 H new ATOM 91 N GLN A 10 1.496 4.538 4.037 1.00 0.00 N ATOM 92 CA GLN A 10 1.903 3.145 3.896 1.00 0.00 C ATOM 93 C GLN A 10 1.761 2.680 2.450 1.00 0.00 C ATOM 94 O GLN A 10 0.828 1.952 2.109 1.00 0.00 O ATOM 95 CB GLN A 10 1.067 2.252 4.815 1.00 0.00 C ATOM 96 CG GLN A 10 1.420 2.395 6.287 1.00 0.00 C ATOM 97 CD GLN A 10 0.932 1.227 7.121 1.00 0.00 C ATOM 98 OE1 GLN A 10 0.021 0.501 6.720 1.00 0.00 O ATOM 99 NE2 GLN A 10 1.537 1.038 8.287 1.00 0.00 N ATOM 0 H GLN A 10 0.619 4.673 4.540 1.00 0.00 H new ATOM 0 HA GLN A 10 2.952 3.069 4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.012 2.490 4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.200 1.212 4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.501 2.483 6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.987 3.318 6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.287 1.664 8.580 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.252 0.267 8.890 1.00 0.00 H new ATOM 108 N THR A 11 2.692 3.105 1.603 1.00 0.00 N ATOM 109 CA THR A 11 2.671 2.734 0.194 1.00 0.00 C ATOM 110 C THR A 11 2.879 1.234 0.017 1.00 0.00 C ATOM 111 O THR A 11 2.009 0.534 -0.502 1.00 0.00 O ATOM 112 CB THR A 11 3.752 3.488 -0.603 1.00 0.00 C ATOM 113 OG1 THR A 11 3.567 4.901 -0.462 1.00 0.00 O ATOM 114 CG2 THR A 11 3.702 3.110 -2.076 1.00 0.00 C ATOM 0 H THR A 11 3.471 3.707 1.869 1.00 0.00 H new ATOM 0 HA THR A 11 1.689 3.010 -0.190 1.00 0.00 H new ATOM 0 HB THR A 11 4.727 3.207 -0.205 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.259 5.374 -0.970 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.475 3.655 -2.618 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.871 2.039 -2.183 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.724 3.365 -2.484 1.00 0.00 H new ATOM 122 N ASP A 12 4.036 0.747 0.452 1.00 0.00 N ATOM 123 CA ASP A 12 4.358 -0.671 0.343 1.00 0.00 C ATOM 124 C ASP A 12 3.802 -1.447 1.533 1.00 0.00 C ATOM 125 O ASP A 12 3.290 -2.556 1.381 1.00 0.00 O ATOM 126 CB ASP A 12 5.872 -0.867 0.252 1.00 0.00 C ATOM 127 CG ASP A 12 6.535 0.155 -0.651 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.624 -0.100 -1.870 1.00 0.00 O ATOM 129 OD2 ASP A 12 6.963 1.210 -0.139 1.00 0.00 O ATOM 0 H ASP A 12 4.766 1.313 0.883 1.00 0.00 H new ATOM 0 HA ASP A 12 3.895 -1.055 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.305 -0.800 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.084 -1.869 -0.121 1.00 0.00 H new ATOM 134 N LYS A 13 3.908 -0.857 2.719 1.00 0.00 N ATOM 135 CA LYS A 13 3.416 -1.491 3.936 1.00 0.00 C ATOM 136 C LYS A 13 2.006 -2.036 3.735 1.00 0.00 C ATOM 137 O LYS A 13 1.729 -3.196 4.041 1.00 0.00 O ATOM 138 CB LYS A 13 3.428 -0.494 5.096 1.00 0.00 C ATOM 139 CG LYS A 13 4.741 -0.464 5.860 1.00 0.00 C ATOM 140 CD LYS A 13 5.749 0.461 5.200 1.00 0.00 C ATOM 141 CE LYS A 13 5.503 1.914 5.576 1.00 0.00 C ATOM 142 NZ LYS A 13 6.101 2.853 4.587 1.00 0.00 N ATOM 0 H LYS A 13 4.331 0.060 2.863 1.00 0.00 H new ATOM 0 HA LYS A 13 4.078 -2.324 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.220 0.503 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.622 -0.743 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.560 -0.135 6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.153 -1.472 5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.757 0.173 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.692 0.350 4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.430 2.094 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.923 2.110 6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.911 3.833 4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.128 2.699 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.682 2.684 3.650 1.00 0.00 H new ATOM 156 N ALA A 14 1.119 -1.193 3.217 1.00 0.00 N ATOM 157 CA ALA A 14 -0.261 -1.592 2.971 1.00 0.00 C ATOM 158 C ALA A 14 -0.325 -2.848 2.110 1.00 0.00 C ATOM 159 O ALA A 14 -0.774 -3.902 2.563 1.00 0.00 O ATOM 160 CB ALA A 14 -1.029 -0.457 2.310 1.00 0.00 C ATOM 0 H ALA A 14 1.332 -0.229 2.960 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.724 -1.818 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.058 -0.769 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.022 0.416 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.558 -0.203 1.361 1.00 0.00 H new ATOM 166 N LEU A 15 0.127 -2.731 0.866 1.00 0.00 N ATOM 167 CA LEU A 15 0.121 -3.858 -0.060 1.00 0.00 C ATOM 168 C LEU A 15 0.502 -5.151 0.654 1.00 0.00 C ATOM 169 O LEU A 15 -0.103 -6.199 0.427 1.00 0.00 O ATOM 170 CB LEU A 15 1.086 -3.597 -1.218 1.00 0.00 C ATOM 171 CG LEU A 15 0.911 -2.268 -1.951 1.00 0.00 C ATOM 172 CD1 LEU A 15 2.039 -2.055 -2.949 1.00 0.00 C ATOM 173 CD2 LEU A 15 -0.439 -2.219 -2.652 1.00 0.00 C ATOM 0 H LEU A 15 0.502 -1.867 0.475 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.889 -3.967 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.105 -3.645 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.980 -4.405 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 15 0.947 -1.463 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.897 -1.103 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.993 -2.045 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.036 -2.864 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.546 -1.265 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.504 -3.033 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.236 -2.324 -1.915 1.00 0.00 H new ATOM 185 N TYR A 16 1.507 -5.069 1.519 1.00 0.00 N ATOM 186 CA TYR A 16 1.969 -6.233 2.266 1.00 0.00 C ATOM 187 C TYR A 16 0.791 -7.015 2.840 1.00 0.00 C ATOM 188 O TYR A 16 0.599 -8.189 2.526 1.00 0.00 O ATOM 189 CB TYR A 16 2.907 -5.801 3.394 1.00 0.00 C ATOM 190 CG TYR A 16 3.767 -6.923 3.929 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.552 -7.690 3.077 1.00 0.00 C ATOM 192 CD2 TYR A 16 3.795 -7.217 5.287 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.339 -8.717 3.561 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.580 -8.241 5.780 1.00 0.00 C ATOM 195 CZ TYR A 16 5.350 -8.988 4.913 1.00 0.00 C ATOM 196 OH TYR A 16 6.133 -10.010 5.400 1.00 0.00 O ATOM 0 H TYR A 16 2.017 -4.209 1.720 1.00 0.00 H new ATOM 0 HA TYR A 16 2.512 -6.882 1.579 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.552 -5.001 3.032 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.314 -5.388 4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.547 -7.480 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.193 -6.635 5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.942 -9.304 2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.591 -8.456 6.838 1.00 0.00 H new ATOM 0 HH TYR A 16 6.184 -9.946 6.377 1.00 0.00 H new ATOM 206 N ASN A 17 0.004 -6.353 3.682 1.00 0.00 N ATOM 207 CA ASN A 17 -1.156 -6.985 4.301 1.00 0.00 C ATOM 208 C ASN A 17 -2.035 -7.655 3.249 1.00 0.00 C ATOM 209 O ASN A 17 -2.530 -8.764 3.455 1.00 0.00 O ATOM 210 CB ASN A 17 -1.971 -5.950 5.079 1.00 0.00 C ATOM 211 CG ASN A 17 -3.037 -5.292 4.224 1.00 0.00 C ATOM 212 OD1 ASN A 17 -3.976 -5.945 3.771 1.00 0.00 O ATOM 213 ND2 ASN A 17 -2.894 -3.991 4.000 1.00 0.00 N ATOM 0 H ASN A 17 0.148 -5.380 3.951 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.799 -7.749 4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.442 -6.432 5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.301 -5.185 5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.579 -3.493 3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.099 -3.490 4.396 1.00 0.00 H new ATOM 220 N ARG A 18 -2.224 -6.976 2.123 1.00 0.00 N ATOM 221 CA ARG A 18 -3.044 -7.505 1.040 1.00 0.00 C ATOM 222 C ARG A 18 -2.427 -8.776 0.463 1.00 0.00 C ATOM 223 O ARG A 18 -3.130 -9.748 0.183 1.00 0.00 O ATOM 224 CB ARG A 18 -3.207 -6.458 -0.063 1.00 0.00 C ATOM 225 CG ARG A 18 -3.796 -5.145 0.425 1.00 0.00 C ATOM 226 CD ARG A 18 -4.504 -4.400 -0.696 1.00 0.00 C ATOM 227 NE ARG A 18 -5.725 -5.081 -1.119 1.00 0.00 N ATOM 228 CZ ARG A 18 -6.726 -4.473 -1.745 1.00 0.00 C ATOM 229 NH1 ARG A 18 -6.652 -3.178 -2.020 1.00 0.00 N ATOM 230 NH2 ARG A 18 -7.805 -5.160 -2.099 1.00 0.00 N ATOM 0 H ARG A 18 -1.820 -6.058 1.937 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.025 -7.750 1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.234 -6.264 -0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.847 -6.864 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.499 -5.339 1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.003 -4.519 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.748 -3.391 -0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.831 -4.301 -1.547 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.814 -6.078 -0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.825 -2.646 -1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.423 -2.714 -2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.866 -6.157 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.573 -4.691 -2.580 1.00 0.00 H new ATOM 244 N LEU A 19 -1.111 -8.761 0.286 1.00 0.00 N ATOM 245 CA LEU A 19 -0.399 -9.912 -0.259 1.00 0.00 C ATOM 246 C LEU A 19 -0.538 -11.122 0.659 1.00 0.00 C ATOM 247 O LEU A 19 -0.882 -12.217 0.212 1.00 0.00 O ATOM 248 CB LEU A 19 1.080 -9.575 -0.456 1.00 0.00 C ATOM 249 CG LEU A 19 1.425 -8.781 -1.717 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.795 -8.135 -1.583 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.374 -9.680 -2.944 1.00 0.00 C ATOM 0 H LEU A 19 -0.515 -7.965 0.512 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.841 -10.158 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.422 -9.009 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.646 -10.507 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 19 0.684 -7.991 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.023 -7.574 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.796 -7.459 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.549 -8.908 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.622 -9.098 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.092 -10.492 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.371 -10.094 -3.050 1.00 0.00 H new ATOM 263 N VAL A 20 -0.270 -10.917 1.945 1.00 0.00 N ATOM 264 CA VAL A 20 -0.369 -11.991 2.927 1.00 0.00 C ATOM 265 C VAL A 20 -1.585 -11.803 3.826 1.00 0.00 C ATOM 266 O VAL A 20 -1.481 -11.353 4.967 1.00 0.00 O ATOM 267 CB VAL A 20 0.896 -12.069 3.802 1.00 0.00 C ATOM 268 CG1 VAL A 20 0.753 -13.160 4.852 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.127 -12.305 2.939 1.00 0.00 C ATOM 0 H VAL A 20 0.017 -10.018 2.331 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.474 -12.922 2.369 1.00 0.00 H new ATOM 0 HB VAL A 20 1.019 -11.117 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.656 -13.200 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.104 -12.942 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.604 -14.121 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.012 -12.357 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.015 -13.242 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.237 -11.484 2.230 1.00 0.00 H new ATOM 279 N PRO A 21 -2.769 -12.156 3.303 1.00 0.00 N ATOM 280 CA PRO A 21 -4.029 -12.036 4.042 1.00 0.00 C ATOM 281 C PRO A 21 -4.126 -13.038 5.187 1.00 0.00 C ATOM 282 O PRO A 21 -3.277 -13.919 5.329 1.00 0.00 O ATOM 283 CB PRO A 21 -5.092 -12.332 2.981 1.00 0.00 C ATOM 284 CG PRO A 21 -4.394 -13.174 1.970 1.00 0.00 C ATOM 285 CD PRO A 21 -2.967 -12.699 1.949 1.00 0.00 C ATOM 0 HA PRO A 21 -4.136 -11.058 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.946 -12.856 3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.473 -11.413 2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.450 -14.230 2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.855 -13.068 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.275 -13.514 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.807 -11.939 1.184 1.00 0.00 H new ATOM 293 N LEU A 22 -5.166 -12.899 6.002 1.00 0.00 N ATOM 294 CA LEU A 22 -5.375 -13.793 7.136 1.00 0.00 C ATOM 295 C LEU A 22 -6.808 -14.317 7.159 1.00 0.00 C ATOM 296 O LEU A 22 -7.706 -13.675 7.703 1.00 0.00 O ATOM 297 CB LEU A 22 -5.064 -13.068 8.446 1.00 0.00 C ATOM 298 CG LEU A 22 -4.702 -13.958 9.636 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.377 -14.663 9.392 1.00 0.00 C ATOM 300 CD2 LEU A 22 -4.644 -13.138 10.917 1.00 0.00 C ATOM 0 H LEU A 22 -5.878 -12.176 5.899 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.699 -14.641 7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.239 -12.378 8.269 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.930 -12.465 8.719 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.478 -14.716 9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.136 -15.292 10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.453 -15.282 8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.590 -13.921 9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.385 -13.787 11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.889 -12.358 10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.616 -12.680 11.100 1.00 0.00 H new ATOM 312 N VAL A 23 -7.013 -15.489 6.567 1.00 0.00 N ATOM 313 CA VAL A 23 -8.335 -16.102 6.522 1.00 0.00 C ATOM 314 C VAL A 23 -8.402 -17.331 7.421 1.00 0.00 C ATOM 315 O VAL A 23 -9.352 -17.504 8.184 1.00 0.00 O ATOM 316 CB VAL A 23 -8.717 -16.508 5.086 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.776 -15.286 4.183 1.00 0.00 C ATOM 318 CG2 VAL A 23 -7.735 -17.536 4.545 1.00 0.00 C ATOM 0 H VAL A 23 -6.280 -16.033 6.112 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.043 -15.355 6.881 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.708 -16.962 5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.047 -15.593 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.522 -14.588 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.801 -14.800 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.020 -17.812 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.731 -17.112 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.750 -18.422 5.179 1.00 0.00 H new ATOM 328 N ASN A 24 -7.386 -18.182 7.327 1.00 0.00 N ATOM 329 CA ASN A 24 -7.329 -19.397 8.132 1.00 0.00 C ATOM 330 C ASN A 24 -6.854 -19.088 9.549 1.00 0.00 C ATOM 331 O ASN A 24 -7.261 -19.743 10.508 1.00 0.00 O ATOM 332 CB ASN A 24 -6.397 -20.422 7.482 1.00 0.00 C ATOM 333 CG ASN A 24 -6.722 -20.652 6.019 1.00 0.00 C ATOM 334 OD1 ASN A 24 -7.889 -20.741 5.637 1.00 0.00 O ATOM 335 ND2 ASN A 24 -5.688 -20.749 5.191 1.00 0.00 N ATOM 0 H ASN A 24 -6.591 -18.053 6.701 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.334 -19.814 8.187 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.366 -20.081 7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.469 -21.367 8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.845 -20.903 4.195 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.737 -20.669 5.551 1.00 0.00 H new ATOM 342 N GLY A 25 -5.989 -18.085 9.672 1.00 0.00 N ATOM 343 CA GLY A 25 -5.473 -17.707 10.975 1.00 0.00 C ATOM 344 C GLY A 25 -3.958 -17.675 11.011 1.00 0.00 C ATOM 345 O GLY A 25 -3.354 -17.744 12.082 1.00 0.00 O ATOM 0 H GLY A 25 -5.637 -17.528 8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.861 -16.725 11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.837 -18.410 11.724 1.00 0.00 H new ATOM 349 N VAL A 26 -3.341 -17.573 9.838 1.00 0.00 N ATOM 350 CA VAL A 26 -1.887 -17.533 9.740 1.00 0.00 C ATOM 351 C VAL A 26 -1.439 -16.659 8.574 1.00 0.00 C ATOM 352 O VAL A 26 -1.841 -16.876 7.431 1.00 0.00 O ATOM 353 CB VAL A 26 -1.298 -18.945 9.565 1.00 0.00 C ATOM 354 CG1 VAL A 26 0.222 -18.894 9.571 1.00 0.00 C ATOM 355 CG2 VAL A 26 -1.813 -19.876 10.652 1.00 0.00 C ATOM 0 H VAL A 26 -3.826 -17.517 8.942 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.518 -17.106 10.673 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.621 -19.337 8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.620 -19.901 9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.568 -18.263 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.568 -18.482 10.519 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.386 -20.869 10.513 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.522 -19.490 11.629 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.900 -19.937 10.594 1.00 0.00 H new ATOM 365 N ARG A 27 -0.603 -15.669 8.871 1.00 0.00 N ATOM 366 CA ARG A 27 -0.099 -14.761 7.848 1.00 0.00 C ATOM 367 C ARG A 27 1.098 -15.368 7.123 1.00 0.00 C ATOM 368 O ARG A 27 2.048 -14.666 6.778 1.00 0.00 O ATOM 369 CB ARG A 27 0.295 -13.422 8.474 1.00 0.00 C ATOM 370 CG ARG A 27 -0.878 -12.479 8.684 1.00 0.00 C ATOM 371 CD ARG A 27 -0.422 -11.030 8.754 1.00 0.00 C ATOM 372 NE ARG A 27 -1.469 -10.150 9.265 1.00 0.00 N ATOM 373 CZ ARG A 27 -1.250 -8.905 9.674 1.00 0.00 C ATOM 374 NH1 ARG A 27 -0.026 -8.396 9.630 1.00 0.00 N ATOM 375 NH2 ARG A 27 -2.255 -8.167 10.126 1.00 0.00 N ATOM 0 H ARG A 27 -0.261 -15.476 9.812 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.895 -14.595 7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.778 -13.607 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.032 -12.935 7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.592 -12.598 7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.398 -12.743 9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.457 -10.957 9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.121 -10.696 7.761 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.422 -10.511 9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.749 -8.961 9.282 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.140 -7.440 9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.198 -8.555 10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.085 -7.211 10.440 1.00 0.00 H new ATOM 389 N GLU A 28 1.044 -16.677 6.896 1.00 0.00 N ATOM 390 CA GLU A 28 2.126 -17.378 6.214 1.00 0.00 C ATOM 391 C GLU A 28 1.947 -17.311 4.700 1.00 0.00 C ATOM 392 O GLU A 28 0.875 -17.616 4.176 1.00 0.00 O ATOM 393 CB GLU A 28 2.183 -18.839 6.667 1.00 0.00 C ATOM 394 CG GLU A 28 3.050 -19.061 7.895 1.00 0.00 C ATOM 395 CD GLU A 28 3.490 -20.504 8.045 1.00 0.00 C ATOM 396 OE1 GLU A 28 4.012 -21.071 7.063 1.00 0.00 O ATOM 397 OE2 GLU A 28 3.311 -21.067 9.146 1.00 0.00 O ATOM 0 H GLU A 28 0.264 -17.273 7.174 1.00 0.00 H new ATOM 0 HA GLU A 28 3.064 -16.887 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.171 -19.185 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.563 -19.450 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.930 -18.421 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.497 -18.759 8.785 1.00 0.00 H new ATOM 404 N PHE A 29 3.004 -16.910 4.002 1.00 0.00 N ATOM 405 CA PHE A 29 2.965 -16.801 2.549 1.00 0.00 C ATOM 406 C PHE A 29 2.408 -18.076 1.923 1.00 0.00 C ATOM 407 O PHE A 29 2.122 -19.049 2.620 1.00 0.00 O ATOM 408 CB PHE A 29 4.365 -16.519 1.999 1.00 0.00 C ATOM 409 CG PHE A 29 5.004 -15.294 2.587 1.00 0.00 C ATOM 410 CD1 PHE A 29 5.699 -15.365 3.784 1.00 0.00 C ATOM 411 CD2 PHE A 29 4.911 -14.071 1.943 1.00 0.00 C ATOM 412 CE1 PHE A 29 6.287 -14.239 4.327 1.00 0.00 C ATOM 413 CE2 PHE A 29 5.498 -12.941 2.481 1.00 0.00 C ATOM 414 CZ PHE A 29 6.188 -13.026 3.675 1.00 0.00 C ATOM 0 H PHE A 29 3.899 -16.655 4.420 1.00 0.00 H new ATOM 0 HA PHE A 29 2.307 -15.972 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.003 -17.381 2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.305 -16.404 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.782 -16.311 4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.373 -14.000 1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.824 -14.308 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.417 -11.994 1.969 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.649 -12.145 4.097 1.00 0.00 H new ATOM 424 N SER A 30 2.256 -18.062 0.602 1.00 0.00 N ATOM 425 CA SER A 30 1.729 -19.215 -0.119 1.00 0.00 C ATOM 426 C SER A 30 2.767 -19.771 -1.088 1.00 0.00 C ATOM 427 O SER A 30 3.687 -19.065 -1.499 1.00 0.00 O ATOM 428 CB SER A 30 0.458 -18.831 -0.880 1.00 0.00 C ATOM 429 OG SER A 30 -0.221 -19.981 -1.352 1.00 0.00 O ATOM 0 H SER A 30 2.490 -17.265 0.010 1.00 0.00 H new ATOM 0 HA SER A 30 1.487 -19.988 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.201 -18.258 -0.228 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.714 -18.186 -1.720 1.00 0.00 H new ATOM 0 HG SER A 30 -1.030 -19.709 -1.833 1.00 0.00 H new ATOM 435 N GLU A 31 2.612 -21.041 -1.448 1.00 0.00 N ATOM 436 CA GLU A 31 3.536 -21.692 -2.369 1.00 0.00 C ATOM 437 C GLU A 31 3.871 -20.776 -3.542 1.00 0.00 C ATOM 438 O GLU A 31 4.999 -20.771 -4.037 1.00 0.00 O ATOM 439 CB GLU A 31 2.939 -23.003 -2.885 1.00 0.00 C ATOM 440 CG GLU A 31 1.610 -22.826 -3.600 1.00 0.00 C ATOM 441 CD GLU A 31 0.794 -24.104 -3.641 1.00 0.00 C ATOM 442 OE1 GLU A 31 0.333 -24.548 -2.569 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.617 -24.658 -4.745 1.00 0.00 O ATOM 0 H GLU A 31 1.856 -21.639 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 31 4.456 -21.910 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.649 -23.473 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.803 -23.686 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.034 -22.047 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.793 -22.483 -4.618 1.00 0.00 H new ATOM 450 N ILE A 32 2.884 -20.003 -3.983 1.00 0.00 N ATOM 451 CA ILE A 32 3.074 -19.083 -5.097 1.00 0.00 C ATOM 452 C ILE A 32 3.986 -17.926 -4.705 1.00 0.00 C ATOM 453 O ILE A 32 4.933 -17.599 -5.420 1.00 0.00 O ATOM 454 CB ILE A 32 1.731 -18.518 -5.595 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.830 -19.649 -6.093 1.00 0.00 C ATOM 456 CG2 ILE A 32 1.963 -17.494 -6.696 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.063 -20.229 -5.018 1.00 0.00 C ATOM 0 H ILE A 32 1.945 -19.996 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 32 3.540 -19.653 -5.901 1.00 0.00 H new ATOM 0 HB ILE A 32 1.232 -18.021 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.209 -19.276 -6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.452 -20.444 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.004 -17.104 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.571 -16.676 -6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.480 -17.968 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.674 -21.026 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.551 -20.633 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.711 -19.447 -4.622 1.00 0.00 H new ATOM 469 N GLN A 33 3.694 -17.310 -3.563 1.00 0.00 N ATOM 470 CA GLN A 33 4.489 -16.190 -3.075 1.00 0.00 C ATOM 471 C GLN A 33 5.933 -16.614 -2.828 1.00 0.00 C ATOM 472 O GLN A 33 6.870 -15.876 -3.137 1.00 0.00 O ATOM 473 CB GLN A 33 3.882 -15.628 -1.788 1.00 0.00 C ATOM 474 CG GLN A 33 2.444 -15.162 -1.947 1.00 0.00 C ATOM 475 CD GLN A 33 1.765 -14.902 -0.617 1.00 0.00 C ATOM 476 OE1 GLN A 33 2.419 -14.830 0.424 1.00 0.00 O ATOM 477 NE2 GLN A 33 0.445 -14.759 -0.644 1.00 0.00 N ATOM 0 H GLN A 33 2.913 -17.568 -2.959 1.00 0.00 H new ATOM 0 HA GLN A 33 4.484 -15.413 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.924 -16.393 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.490 -14.792 -1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.425 -14.251 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.881 -15.916 -2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.057 -14.826 -1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.067 -14.582 0.220 1.00 0.00 H new ATOM 486 N LEU A 34 6.107 -17.806 -2.268 1.00 0.00 N ATOM 487 CA LEU A 34 7.438 -18.328 -1.978 1.00 0.00 C ATOM 488 C LEU A 34 8.212 -18.591 -3.266 1.00 0.00 C ATOM 489 O LEU A 34 9.267 -18.001 -3.499 1.00 0.00 O ATOM 490 CB LEU A 34 7.334 -19.617 -1.160 1.00 0.00 C ATOM 491 CG LEU A 34 6.397 -19.572 0.048 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.796 -20.944 0.309 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.138 -19.069 1.278 1.00 0.00 C ATOM 0 H LEU A 34 5.343 -18.429 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 34 7.977 -17.579 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.003 -20.418 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.332 -19.884 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 34 5.585 -18.879 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.132 -20.892 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.230 -21.266 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.594 -21.659 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.456 -19.043 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.970 -19.737 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.519 -18.066 1.088 1.00 0.00 H new ATOM 505 N SER A 35 7.680 -19.478 -4.100 1.00 0.00 N ATOM 506 CA SER A 35 8.322 -19.820 -5.364 1.00 0.00 C ATOM 507 C SER A 35 8.830 -18.568 -6.071 1.00 0.00 C ATOM 508 O SER A 35 9.914 -18.568 -6.655 1.00 0.00 O ATOM 509 CB SER A 35 7.344 -20.570 -6.270 1.00 0.00 C ATOM 510 OG SER A 35 8.034 -21.368 -7.216 1.00 0.00 O ATOM 0 H SER A 35 6.806 -19.973 -3.923 1.00 0.00 H new ATOM 0 HA SER A 35 9.174 -20.465 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.693 -21.200 -5.664 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.704 -19.856 -6.789 1.00 0.00 H new ATOM 0 HG SER A 35 7.386 -21.838 -7.782 1.00 0.00 H new ATOM 516 N ARG A 36 8.039 -17.501 -6.013 1.00 0.00 N ATOM 517 CA ARG A 36 8.408 -16.242 -6.649 1.00 0.00 C ATOM 518 C ARG A 36 9.402 -15.468 -5.788 1.00 0.00 C ATOM 519 O ARG A 36 10.169 -14.648 -6.292 1.00 0.00 O ATOM 520 CB ARG A 36 7.162 -15.389 -6.900 1.00 0.00 C ATOM 521 CG ARG A 36 6.631 -14.705 -5.651 1.00 0.00 C ATOM 522 CD ARG A 36 5.799 -13.480 -5.998 1.00 0.00 C ATOM 523 NE ARG A 36 4.801 -13.188 -4.973 1.00 0.00 N ATOM 524 CZ ARG A 36 3.713 -12.458 -5.194 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.484 -11.950 -6.397 1.00 0.00 N ATOM 526 NH2 ARG A 36 2.851 -12.236 -4.209 1.00 0.00 N ATOM 0 H ARG A 36 7.139 -17.483 -5.532 1.00 0.00 H new ATOM 0 HA ARG A 36 8.882 -16.471 -7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.395 -14.631 -7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.378 -16.020 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.025 -15.408 -5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.465 -14.411 -5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.456 -12.619 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.301 -13.639 -6.954 1.00 0.00 H new ATOM 0 HE ARG A 36 4.947 -13.565 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.144 -12.119 -7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.648 -11.390 -6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.024 -12.626 -3.282 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.016 -11.676 -4.379 1.00 0.00 H new ATOM 540 N LEU A 37 9.382 -15.735 -4.486 1.00 0.00 N ATOM 541 CA LEU A 37 10.281 -15.064 -3.554 1.00 0.00 C ATOM 542 C LEU A 37 11.712 -15.561 -3.725 1.00 0.00 C ATOM 543 O LEU A 37 12.660 -14.776 -3.709 1.00 0.00 O ATOM 544 CB LEU A 37 9.817 -15.293 -2.114 1.00 0.00 C ATOM 545 CG LEU A 37 8.839 -14.261 -1.552 1.00 0.00 C ATOM 546 CD1 LEU A 37 7.938 -14.896 -0.504 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.592 -13.077 -0.964 1.00 0.00 C ATOM 0 H LEU A 37 8.753 -16.411 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 37 10.259 -13.996 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.350 -16.276 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.696 -15.319 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 37 8.214 -13.899 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.248 -14.147 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.372 -15.710 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.547 -15.287 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.880 -12.353 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.242 -13.422 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.194 -12.607 -1.741 1.00 0.00 H new ATOM 559 N LYS A 38 11.863 -16.871 -3.890 1.00 0.00 N ATOM 560 CA LYS A 38 13.178 -17.475 -4.067 1.00 0.00 C ATOM 561 C LYS A 38 14.024 -16.659 -5.039 1.00 0.00 C ATOM 562 O LYS A 38 15.170 -16.317 -4.746 1.00 0.00 O ATOM 563 CB LYS A 38 13.038 -18.911 -4.578 1.00 0.00 C ATOM 564 CG LYS A 38 12.916 -19.941 -3.468 1.00 0.00 C ATOM 565 CD LYS A 38 13.288 -21.331 -3.955 1.00 0.00 C ATOM 566 CE LYS A 38 12.187 -21.935 -4.814 1.00 0.00 C ATOM 567 NZ LYS A 38 12.654 -23.146 -5.544 1.00 0.00 N ATOM 0 H LYS A 38 11.089 -17.535 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 38 13.678 -17.488 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.160 -18.975 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.903 -19.154 -5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.563 -19.660 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.894 -19.949 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.213 -21.281 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.479 -21.978 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.337 -22.196 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.836 -21.192 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.875 -23.528 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.449 -22.892 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.965 -23.865 -4.860 1.00 0.00 H new ATOM 581 N LYS A 39 13.452 -16.347 -6.198 1.00 0.00 N ATOM 582 CA LYS A 39 14.152 -15.569 -7.212 1.00 0.00 C ATOM 583 C LYS A 39 14.890 -14.392 -6.582 1.00 0.00 C ATOM 584 O LYS A 39 16.084 -14.199 -6.814 1.00 0.00 O ATOM 585 CB LYS A 39 13.165 -15.060 -8.266 1.00 0.00 C ATOM 586 CG LYS A 39 12.746 -16.121 -9.269 1.00 0.00 C ATOM 587 CD LYS A 39 11.695 -17.053 -8.690 1.00 0.00 C ATOM 588 CE LYS A 39 10.999 -17.853 -9.780 1.00 0.00 C ATOM 589 NZ LYS A 39 11.907 -18.859 -10.397 1.00 0.00 N ATOM 0 H LYS A 39 12.505 -16.622 -6.458 1.00 0.00 H new ATOM 0 HA LYS A 39 14.883 -16.219 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.277 -14.675 -7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.616 -14.224 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.353 -15.641 -10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.618 -16.699 -9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.163 -17.734 -7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.957 -16.472 -8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.129 -18.358 -9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.632 -17.174 -10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.394 -19.383 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.725 -18.375 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.237 -19.522 -9.667 1.00 0.00 H new ATOM 603 N LEU A 40 14.173 -13.609 -5.784 1.00 0.00 N ATOM 604 CA LEU A 40 14.761 -12.451 -5.119 1.00 0.00 C ATOM 605 C LEU A 40 15.881 -12.876 -4.175 1.00 0.00 C ATOM 606 O LEU A 40 16.852 -12.146 -3.979 1.00 0.00 O ATOM 607 CB LEU A 40 13.688 -11.685 -4.343 1.00 0.00 C ATOM 608 CG LEU A 40 12.628 -10.976 -5.186 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.350 -10.784 -4.384 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.152 -9.638 -5.686 1.00 0.00 C ATOM 0 H LEU A 40 13.184 -13.754 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 40 15.183 -11.799 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.184 -12.383 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.182 -10.942 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 40 12.400 -11.600 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.607 -10.278 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.965 -11.756 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.562 -10.181 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.384 -9.147 -6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.408 -9.007 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.040 -9.800 -6.297 1.00 0.00 H new ATOM 622 N GLY A 41 15.741 -14.064 -3.594 1.00 0.00 N ATOM 623 CA GLY A 41 16.749 -14.567 -2.680 1.00 0.00 C ATOM 624 C GLY A 41 16.317 -14.472 -1.231 1.00 0.00 C ATOM 625 O GLY A 41 17.152 -14.462 -0.326 1.00 0.00 O ATOM 0 H GLY A 41 14.947 -14.687 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.969 -15.607 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.673 -14.005 -2.818 1.00 0.00 H new ATOM 629 N ILE A 42 15.009 -14.401 -1.009 1.00 0.00 N ATOM 630 CA ILE A 42 14.467 -14.305 0.342 1.00 0.00 C ATOM 631 C ILE A 42 14.147 -15.686 0.904 1.00 0.00 C ATOM 632 O ILE A 42 13.036 -16.192 0.743 1.00 0.00 O ATOM 633 CB ILE A 42 13.193 -13.441 0.378 1.00 0.00 C ATOM 634 CG1 ILE A 42 13.492 -12.033 -0.142 1.00 0.00 C ATOM 635 CG2 ILE A 42 12.633 -13.382 1.791 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.253 -11.189 -0.347 1.00 0.00 C ATOM 0 H ILE A 42 14.305 -14.408 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 42 15.233 -13.833 0.957 1.00 0.00 H new ATOM 0 HB ILE A 42 12.444 -13.896 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.154 -11.528 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.030 -12.110 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 42 11.733 -12.768 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.388 -14.389 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.376 -12.947 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.540 -10.205 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.599 -11.673 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.725 -11.081 0.601 1.00 0.00 H new ATOM 648 N HIS A 43 15.128 -16.291 1.567 1.00 0.00 N ATOM 649 CA HIS A 43 14.950 -17.613 2.157 1.00 0.00 C ATOM 650 C HIS A 43 14.199 -17.520 3.482 1.00 0.00 C ATOM 651 O HIS A 43 14.588 -18.137 4.473 1.00 0.00 O ATOM 652 CB HIS A 43 16.307 -18.285 2.373 1.00 0.00 C ATOM 653 CG HIS A 43 16.763 -19.101 1.204 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.713 -18.647 -0.097 1.00 0.00 N ATOM 655 CD2 HIS A 43 17.283 -20.350 1.145 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.180 -19.581 -0.906 1.00 0.00 C ATOM 657 NE2 HIS A 43 17.533 -20.625 -0.177 1.00 0.00 N ATOM 0 H HIS A 43 16.054 -15.887 1.709 1.00 0.00 H new ATOM 0 HA HIS A 43 14.360 -18.216 1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.053 -17.519 2.584 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.250 -18.926 3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 43 17.467 -21.007 1.982 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.260 -19.504 -1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 43 17.927 -21.494 -0.538 1.00 0.00 H new ATOM 666 N LYS A 44 13.120 -16.745 3.491 1.00 0.00 N ATOM 667 CA LYS A 44 12.312 -16.571 4.693 1.00 0.00 C ATOM 668 C LYS A 44 10.912 -17.142 4.494 1.00 0.00 C ATOM 669 O LYS A 44 10.426 -17.248 3.367 1.00 0.00 O ATOM 670 CB LYS A 44 12.223 -15.089 5.062 1.00 0.00 C ATOM 671 CG LYS A 44 13.421 -14.584 5.847 1.00 0.00 C ATOM 672 CD LYS A 44 13.565 -13.075 5.735 1.00 0.00 C ATOM 673 CE LYS A 44 15.001 -12.634 5.974 1.00 0.00 C ATOM 674 NZ LYS A 44 15.913 -13.108 4.897 1.00 0.00 N ATOM 0 H LYS A 44 12.784 -16.227 2.679 1.00 0.00 H new ATOM 0 HA LYS A 44 12.794 -17.113 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.124 -14.501 4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.319 -14.923 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.314 -14.863 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.327 -15.065 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.243 -12.750 4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.909 -12.591 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.042 -11.546 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.344 -13.018 6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.740 -12.480 4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.228 -14.076 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.409 -13.100 3.987 1.00 0.00 H new ATOM 688 N THR A 45 10.265 -17.509 5.597 1.00 0.00 N ATOM 689 CA THR A 45 8.921 -18.068 5.544 1.00 0.00 C ATOM 690 C THR A 45 7.957 -17.268 6.413 1.00 0.00 C ATOM 691 O THR A 45 6.782 -17.118 6.078 1.00 0.00 O ATOM 692 CB THR A 45 8.906 -19.539 6.001 1.00 0.00 C ATOM 693 OG1 THR A 45 9.488 -19.652 7.305 1.00 0.00 O ATOM 694 CG2 THR A 45 9.669 -20.418 5.022 1.00 0.00 C ATOM 0 H THR A 45 10.651 -17.429 6.538 1.00 0.00 H new ATOM 0 HA THR A 45 8.598 -18.015 4.504 1.00 0.00 H new ATOM 0 HB THR A 45 7.870 -19.876 6.035 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.473 -20.590 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.644 -21.452 5.366 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.207 -20.352 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.704 -20.081 4.960 1.00 0.00 H new ATOM 702 N ASP A 46 8.462 -16.755 7.530 1.00 0.00 N ATOM 703 CA ASP A 46 7.646 -15.968 8.447 1.00 0.00 C ATOM 704 C ASP A 46 7.557 -14.517 7.986 1.00 0.00 C ATOM 705 O ASP A 46 8.543 -13.913 7.562 1.00 0.00 O ATOM 706 CB ASP A 46 8.225 -16.032 9.861 1.00 0.00 C ATOM 707 CG ASP A 46 8.331 -17.453 10.379 1.00 0.00 C ATOM 708 OD1 ASP A 46 7.325 -18.188 10.306 1.00 0.00 O ATOM 709 OD2 ASP A 46 9.421 -17.830 10.859 1.00 0.00 O ATOM 0 H ASP A 46 9.433 -16.870 7.822 1.00 0.00 H new ATOM 0 HA ASP A 46 6.641 -16.390 8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.213 -15.571 9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.597 -15.449 10.534 1.00 0.00 H new ATOM 714 N PRO A 47 6.348 -13.942 8.068 1.00 0.00 N ATOM 715 CA PRO A 47 6.101 -12.555 7.663 1.00 0.00 C ATOM 716 C PRO A 47 6.751 -11.551 8.609 1.00 0.00 C ATOM 717 O PRO A 47 6.612 -10.340 8.435 1.00 0.00 O ATOM 718 CB PRO A 47 4.576 -12.435 7.721 1.00 0.00 C ATOM 719 CG PRO A 47 4.152 -13.469 8.706 1.00 0.00 C ATOM 720 CD PRO A 47 5.129 -14.603 8.564 1.00 0.00 C ATOM 0 HA PRO A 47 6.522 -12.335 6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.269 -11.438 8.037 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.127 -12.612 6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.163 -13.069 9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.134 -13.804 8.506 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.303 -15.105 9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.769 -15.359 7.866 1.00 0.00 H new ATOM 728 N SER A 48 7.461 -12.061 9.610 1.00 0.00 N ATOM 729 CA SER A 48 8.130 -11.208 10.585 1.00 0.00 C ATOM 730 C SER A 48 9.605 -11.037 10.236 1.00 0.00 C ATOM 731 O SER A 48 10.145 -9.932 10.293 1.00 0.00 O ATOM 732 CB SER A 48 7.992 -11.798 11.990 1.00 0.00 C ATOM 733 OG SER A 48 6.655 -11.707 12.452 1.00 0.00 O ATOM 0 H SER A 48 7.588 -13.061 9.767 1.00 0.00 H new ATOM 0 HA SER A 48 7.653 -10.228 10.561 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.307 -12.841 11.982 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.654 -11.270 12.676 1.00 0.00 H new ATOM 0 HG SER A 48 6.593 -12.092 13.351 1.00 0.00 H new ATOM 739 N THR A 49 10.253 -12.140 9.874 1.00 0.00 N ATOM 740 CA THR A 49 11.666 -12.114 9.517 1.00 0.00 C ATOM 741 C THR A 49 11.939 -11.082 8.429 1.00 0.00 C ATOM 742 O THR A 49 12.961 -10.395 8.453 1.00 0.00 O ATOM 743 CB THR A 49 12.148 -13.494 9.032 1.00 0.00 C ATOM 744 OG1 THR A 49 11.346 -13.934 7.930 1.00 0.00 O ATOM 745 CG2 THR A 49 12.079 -14.517 10.156 1.00 0.00 C ATOM 0 H THR A 49 9.821 -13.063 9.820 1.00 0.00 H new ATOM 0 HA THR A 49 12.215 -11.842 10.418 1.00 0.00 H new ATOM 0 HB THR A 49 13.185 -13.400 8.711 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.399 -13.797 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.424 -15.484 9.790 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.713 -14.194 10.981 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.050 -14.607 10.503 1.00 0.00 H new ATOM 753 N LEU A 50 11.019 -10.977 7.476 1.00 0.00 N ATOM 754 CA LEU A 50 11.161 -10.027 6.378 1.00 0.00 C ATOM 755 C LEU A 50 11.277 -8.600 6.904 1.00 0.00 C ATOM 756 O LEU A 50 10.466 -8.158 7.719 1.00 0.00 O ATOM 757 CB LEU A 50 9.968 -10.136 5.426 1.00 0.00 C ATOM 758 CG LEU A 50 10.061 -11.223 4.355 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.535 -12.546 4.890 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.296 -10.808 3.107 1.00 0.00 C ATOM 0 H LEU A 50 10.168 -11.538 7.442 1.00 0.00 H new ATOM 0 HA LEU A 50 12.075 -10.270 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.071 -10.314 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.836 -9.175 4.929 1.00 0.00 H new ATOM 0 HG LEU A 50 11.109 -11.354 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.609 -13.308 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.126 -12.850 5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.492 -12.430 5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.373 -11.593 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.248 -10.648 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.719 -9.884 2.711 1.00 0.00 H new ATOM 772 N THR A 51 12.291 -7.881 6.432 1.00 0.00 N ATOM 773 CA THR A 51 12.513 -6.504 6.854 1.00 0.00 C ATOM 774 C THR A 51 11.992 -5.519 5.813 1.00 0.00 C ATOM 775 O THR A 51 11.755 -5.886 4.663 1.00 0.00 O ATOM 776 CB THR A 51 14.008 -6.227 7.102 1.00 0.00 C ATOM 777 OG1 THR A 51 14.176 -4.926 7.676 1.00 0.00 O ATOM 778 CG2 THR A 51 14.798 -6.320 5.805 1.00 0.00 C ATOM 0 H THR A 51 12.971 -8.230 5.757 1.00 0.00 H new ATOM 0 HA THR A 51 11.965 -6.367 7.786 1.00 0.00 H new ATOM 0 HB THR A 51 14.385 -6.981 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.129 -4.758 7.832 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.851 -6.121 6.005 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.692 -7.320 5.385 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.418 -5.586 5.094 1.00 0.00 H new ATOM 786 N GLU A 52 11.816 -4.268 6.226 1.00 0.00 N ATOM 787 CA GLU A 52 11.322 -3.231 5.328 1.00 0.00 C ATOM 788 C GLU A 52 11.865 -3.430 3.916 1.00 0.00 C ATOM 789 O GLU A 52 11.125 -3.335 2.937 1.00 0.00 O ATOM 790 CB GLU A 52 11.715 -1.846 5.846 1.00 0.00 C ATOM 791 CG GLU A 52 13.211 -1.586 5.814 1.00 0.00 C ATOM 792 CD GLU A 52 13.584 -0.244 6.414 1.00 0.00 C ATOM 793 OE1 GLU A 52 13.686 -0.158 7.656 1.00 0.00 O ATOM 794 OE2 GLU A 52 13.772 0.720 5.643 1.00 0.00 O ATOM 0 H GLU A 52 12.008 -3.948 7.175 1.00 0.00 H new ATOM 0 HA GLU A 52 10.235 -3.304 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.210 -1.087 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.357 -1.735 6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.725 -2.378 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.561 -1.628 4.783 1.00 0.00 H new ATOM 801 N GLU A 53 13.162 -3.705 3.820 1.00 0.00 N ATOM 802 CA GLU A 53 13.804 -3.916 2.528 1.00 0.00 C ATOM 803 C GLU A 53 13.113 -5.035 1.753 1.00 0.00 C ATOM 804 O GLU A 53 12.557 -4.809 0.680 1.00 0.00 O ATOM 805 CB GLU A 53 15.285 -4.251 2.718 1.00 0.00 C ATOM 806 CG GLU A 53 16.086 -4.221 1.427 1.00 0.00 C ATOM 807 CD GLU A 53 17.546 -3.880 1.655 1.00 0.00 C ATOM 808 OE1 GLU A 53 17.820 -2.805 2.229 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.413 -4.686 1.258 1.00 0.00 O ATOM 0 H GLU A 53 13.788 -3.787 4.621 1.00 0.00 H new ATOM 0 HA GLU A 53 13.718 -2.994 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.721 -3.543 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.370 -5.241 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.016 -5.192 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.647 -3.489 0.748 1.00 0.00 H new ATOM 816 N GLU A 54 13.156 -6.243 2.307 1.00 0.00 N ATOM 817 CA GLU A 54 12.536 -7.398 1.667 1.00 0.00 C ATOM 818 C GLU A 54 11.059 -7.136 1.385 1.00 0.00 C ATOM 819 O GLU A 54 10.532 -7.540 0.349 1.00 0.00 O ATOM 820 CB GLU A 54 12.685 -8.639 2.550 1.00 0.00 C ATOM 821 CG GLU A 54 14.094 -9.207 2.567 1.00 0.00 C ATOM 822 CD GLU A 54 15.157 -8.137 2.410 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.493 -7.800 1.256 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.653 -7.637 3.442 1.00 0.00 O ATOM 0 H GLU A 54 13.613 -6.447 3.196 1.00 0.00 H new ATOM 0 HA GLU A 54 13.044 -7.572 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.391 -8.387 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.996 -9.408 2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.256 -9.739 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.197 -9.937 1.764 1.00 0.00 H new ATOM 831 N VAL A 55 10.396 -6.457 2.316 1.00 0.00 N ATOM 832 CA VAL A 55 8.981 -6.139 2.169 1.00 0.00 C ATOM 833 C VAL A 55 8.736 -5.280 0.934 1.00 0.00 C ATOM 834 O VAL A 55 7.996 -5.670 0.030 1.00 0.00 O ATOM 835 CB VAL A 55 8.438 -5.404 3.408 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.981 -5.019 3.206 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.604 -6.264 4.652 1.00 0.00 C ATOM 0 H VAL A 55 10.817 -6.116 3.181 1.00 0.00 H new ATOM 0 HA VAL A 55 8.454 -7.087 2.059 1.00 0.00 H new ATOM 0 HB VAL A 55 9.013 -4.489 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.615 -4.501 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.895 -4.362 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.387 -5.918 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.215 -5.729 5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.055 -7.197 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.661 -6.483 4.805 1.00 0.00 H new ATOM 847 N ARG A 56 9.363 -4.109 0.901 1.00 0.00 N ATOM 848 CA ARG A 56 9.213 -3.193 -0.224 1.00 0.00 C ATOM 849 C ARG A 56 9.571 -3.882 -1.537 1.00 0.00 C ATOM 850 O ARG A 56 8.939 -3.645 -2.567 1.00 0.00 O ATOM 851 CB ARG A 56 10.095 -1.959 -0.025 1.00 0.00 C ATOM 852 CG ARG A 56 11.584 -2.266 -0.041 1.00 0.00 C ATOM 853 CD ARG A 56 12.412 -1.002 -0.213 1.00 0.00 C ATOM 854 NE ARG A 56 12.529 -0.251 1.033 1.00 0.00 N ATOM 855 CZ ARG A 56 12.831 1.042 1.086 1.00 0.00 C ATOM 856 NH1 ARG A 56 13.045 1.723 -0.032 1.00 0.00 N ATOM 857 NH2 ARG A 56 12.920 1.656 2.259 1.00 0.00 N ATOM 0 H ARG A 56 9.980 -3.772 1.640 1.00 0.00 H new ATOM 0 HA ARG A 56 8.170 -2.881 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.874 -1.234 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.840 -1.489 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.864 -2.762 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.805 -2.960 -0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.407 -1.266 -0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.956 -0.371 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 56 12.370 -0.746 1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.978 1.254 -0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.277 2.715 0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.757 1.135 3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.152 2.648 2.299 1.00 0.00 H new ATOM 871 N LYS A 57 10.588 -4.735 -1.494 1.00 0.00 N ATOM 872 CA LYS A 57 11.031 -5.459 -2.680 1.00 0.00 C ATOM 873 C LYS A 57 9.971 -6.458 -3.134 1.00 0.00 C ATOM 874 O LYS A 57 9.578 -6.473 -4.301 1.00 0.00 O ATOM 875 CB LYS A 57 12.346 -6.189 -2.395 1.00 0.00 C ATOM 876 CG LYS A 57 13.567 -5.289 -2.462 1.00 0.00 C ATOM 877 CD LYS A 57 14.836 -6.043 -2.103 1.00 0.00 C ATOM 878 CE LYS A 57 15.412 -6.771 -3.308 1.00 0.00 C ATOM 879 NZ LYS A 57 15.807 -5.827 -4.389 1.00 0.00 N ATOM 0 H LYS A 57 11.122 -4.942 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 57 11.190 -4.735 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.293 -6.643 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.464 -7.001 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.660 -4.875 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.438 -4.448 -1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.576 -5.346 -1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.622 -6.761 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.280 -7.354 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.675 -7.476 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.534 -6.269 -4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.975 -5.596 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.188 -4.956 -3.967 1.00 0.00 H new ATOM 893 N PHE A 58 9.512 -7.290 -2.205 1.00 0.00 N ATOM 894 CA PHE A 58 8.497 -8.292 -2.511 1.00 0.00 C ATOM 895 C PHE A 58 7.291 -7.654 -3.194 1.00 0.00 C ATOM 896 O PHE A 58 6.703 -8.233 -4.107 1.00 0.00 O ATOM 897 CB PHE A 58 8.054 -9.006 -1.232 1.00 0.00 C ATOM 898 CG PHE A 58 7.046 -10.093 -1.472 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.297 -11.100 -2.390 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.846 -10.109 -0.778 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.371 -12.102 -2.613 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.917 -11.108 -0.996 1.00 0.00 C ATOM 903 CZ PHE A 58 5.179 -12.105 -1.916 1.00 0.00 C ATOM 0 H PHE A 58 9.826 -7.290 -1.235 1.00 0.00 H new ATOM 0 HA PHE A 58 8.935 -9.020 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.929 -9.434 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.630 -8.274 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.228 -11.102 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.635 -9.332 -0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.580 -12.881 -3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.987 -11.110 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.453 -12.885 -2.090 1.00 0.00 H new ATOM 913 N ALA A 59 6.929 -6.457 -2.745 1.00 0.00 N ATOM 914 CA ALA A 59 5.795 -5.739 -3.313 1.00 0.00 C ATOM 915 C ALA A 59 6.007 -5.465 -4.798 1.00 0.00 C ATOM 916 O ALA A 59 5.090 -5.618 -5.605 1.00 0.00 O ATOM 917 CB ALA A 59 5.565 -4.436 -2.561 1.00 0.00 C ATOM 0 H ALA A 59 7.405 -5.964 -1.989 1.00 0.00 H new ATOM 0 HA ALA A 59 4.910 -6.367 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.715 -3.910 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.360 -4.652 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.455 -3.811 -2.635 1.00 0.00 H new ATOM 923 N ARG A 60 7.221 -5.057 -5.152 1.00 0.00 N ATOM 924 CA ARG A 60 7.553 -4.760 -6.541 1.00 0.00 C ATOM 925 C ARG A 60 6.992 -5.828 -7.474 1.00 0.00 C ATOM 926 O ARG A 60 6.364 -5.516 -8.487 1.00 0.00 O ATOM 927 CB ARG A 60 9.069 -4.660 -6.715 1.00 0.00 C ATOM 928 CG ARG A 60 9.694 -3.499 -5.959 1.00 0.00 C ATOM 929 CD ARG A 60 11.198 -3.673 -5.815 1.00 0.00 C ATOM 930 NE ARG A 60 11.909 -3.322 -7.041 1.00 0.00 N ATOM 931 CZ ARG A 60 13.186 -2.957 -7.071 1.00 0.00 C ATOM 932 NH1 ARG A 60 13.888 -2.896 -5.948 1.00 0.00 N ATOM 933 NH2 ARG A 60 13.764 -2.653 -8.226 1.00 0.00 N ATOM 0 H ARG A 60 7.991 -4.924 -4.497 1.00 0.00 H new ATOM 0 HA ARG A 60 7.101 -3.803 -6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.527 -5.590 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.298 -4.557 -7.776 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.483 -2.567 -6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.240 -3.420 -4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.558 -3.050 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.420 -4.707 -5.551 1.00 0.00 H new ATOM 0 HE ARG A 60 11.397 -3.359 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.448 -3.130 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.868 -2.615 -5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.228 -2.699 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.745 -2.373 -8.247 1.00 0.00 H new ATOM 947 N LEU A 61 7.223 -7.090 -7.128 1.00 0.00 N ATOM 948 CA LEU A 61 6.741 -8.205 -7.935 1.00 0.00 C ATOM 949 C LEU A 61 5.373 -7.894 -8.533 1.00 0.00 C ATOM 950 O LEU A 61 5.214 -7.844 -9.751 1.00 0.00 O ATOM 951 CB LEU A 61 6.664 -9.477 -7.088 1.00 0.00 C ATOM 952 CG LEU A 61 7.923 -10.344 -7.063 1.00 0.00 C ATOM 953 CD1 LEU A 61 8.169 -10.967 -8.428 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.127 -9.524 -6.624 1.00 0.00 C ATOM 0 H LEU A 61 7.741 -7.366 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 61 7.446 -8.362 -8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.422 -9.193 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.836 -10.084 -7.455 1.00 0.00 H new ATOM 0 HG LEU A 61 7.773 -11.147 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.069 -11.581 -8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.317 -11.589 -8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.297 -10.179 -9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.014 -10.158 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.279 -8.700 -7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.952 -9.127 -5.624 1.00 0.00 H new ATOM 966 N ASN A 62 4.388 -7.684 -7.665 1.00 0.00 N ATOM 967 CA ASN A 62 3.033 -7.376 -8.107 1.00 0.00 C ATOM 968 C ASN A 62 2.687 -5.917 -7.824 1.00 0.00 C ATOM 969 O ASN A 62 2.601 -5.503 -6.668 1.00 0.00 O ATOM 970 CB ASN A 62 2.026 -8.295 -7.412 1.00 0.00 C ATOM 971 CG ASN A 62 2.035 -9.700 -7.984 1.00 0.00 C ATOM 972 OD1 ASN A 62 3.009 -10.123 -8.605 1.00 0.00 O ATOM 973 ND2 ASN A 62 0.945 -10.430 -7.775 1.00 0.00 N ATOM 0 H ASN A 62 4.503 -7.722 -6.652 1.00 0.00 H new ATOM 0 HA ASN A 62 2.982 -7.541 -9.183 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.252 -8.338 -6.347 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.026 -7.873 -7.509 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.892 -11.383 -8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.161 -10.038 -7.254 1.00 0.00 H new ATOM 980 N ILE A 63 2.488 -5.145 -8.887 1.00 0.00 N ATOM 981 CA ILE A 63 2.150 -3.734 -8.752 1.00 0.00 C ATOM 982 C ILE A 63 0.689 -3.482 -9.110 1.00 0.00 C ATOM 983 O ILE A 63 0.256 -3.759 -10.229 1.00 0.00 O ATOM 984 CB ILE A 63 3.044 -2.853 -9.645 1.00 0.00 C ATOM 985 CG1 ILE A 63 4.514 -3.022 -9.257 1.00 0.00 C ATOM 986 CG2 ILE A 63 2.627 -1.394 -9.537 1.00 0.00 C ATOM 987 CD1 ILE A 63 5.478 -2.626 -10.353 1.00 0.00 C ATOM 0 H ILE A 63 2.555 -5.473 -9.851 1.00 0.00 H new ATOM 0 HA ILE A 63 2.318 -3.468 -7.708 1.00 0.00 H new ATOM 0 HB ILE A 63 2.922 -3.170 -10.681 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.719 -2.422 -8.370 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.692 -4.063 -8.986 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.268 -0.784 -10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.591 -1.287 -9.857 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.723 -1.064 -8.503 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.501 -2.772 -10.008 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.301 -3.243 -11.234 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.327 -1.577 -10.609 1.00 0.00 H new ATOM 999 N ASP A 64 -0.066 -2.955 -8.153 1.00 0.00 N ATOM 1000 CA ASP A 64 -1.479 -2.662 -8.367 1.00 0.00 C ATOM 1001 C ASP A 64 -1.654 -1.336 -9.100 1.00 0.00 C ATOM 1002 O ASP A 64 -0.867 -0.403 -8.943 1.00 0.00 O ATOM 1003 CB ASP A 64 -2.222 -2.623 -7.030 1.00 0.00 C ATOM 1004 CG ASP A 64 -1.894 -3.813 -6.150 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -0.917 -3.728 -5.377 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -2.616 -4.828 -6.234 1.00 0.00 O ATOM 0 H ASP A 64 0.276 -2.722 -7.221 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.900 -3.456 -8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.967 -1.704 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.296 -2.597 -7.215 1.00 0.00 H new ATOM 1011 N PRO A 65 -2.710 -1.250 -9.923 1.00 0.00 N ATOM 1012 CA PRO A 65 -3.014 -0.043 -10.698 1.00 0.00 C ATOM 1013 C PRO A 65 -3.482 1.109 -9.816 1.00 0.00 C ATOM 1014 O PRO A 65 -3.267 2.277 -10.138 1.00 0.00 O ATOM 1015 CB PRO A 65 -4.140 -0.494 -11.631 1.00 0.00 C ATOM 1016 CG PRO A 65 -4.787 -1.632 -10.921 1.00 0.00 C ATOM 1017 CD PRO A 65 -3.690 -2.324 -10.159 1.00 0.00 C ATOM 0 HA PRO A 65 -2.136 0.338 -11.221 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.849 0.313 -11.814 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.751 -0.803 -12.601 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.567 -1.278 -10.247 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.261 -2.313 -11.627 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.056 -2.747 -9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.258 -3.144 -10.732 1.00 0.00 H new ATOM 1025 N ALA A 66 -4.123 0.773 -8.701 1.00 0.00 N ATOM 1026 CA ALA A 66 -4.620 1.780 -7.772 1.00 0.00 C ATOM 1027 C ALA A 66 -3.552 2.826 -7.474 1.00 0.00 C ATOM 1028 O ALA A 66 -3.764 4.022 -7.679 1.00 0.00 O ATOM 1029 CB ALA A 66 -5.091 1.122 -6.483 1.00 0.00 C ATOM 0 H ALA A 66 -4.310 -0.189 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.465 2.285 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.460 1.886 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.892 0.417 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.259 0.591 -6.020 1.00 0.00 H new ATOM 1035 N THR A 67 -2.401 2.370 -6.988 1.00 0.00 N ATOM 1036 CA THR A 67 -1.300 3.267 -6.660 1.00 0.00 C ATOM 1037 C THR A 67 -0.861 4.066 -7.881 1.00 0.00 C ATOM 1038 O THR A 67 -0.168 5.077 -7.756 1.00 0.00 O ATOM 1039 CB THR A 67 -0.091 2.491 -6.105 1.00 0.00 C ATOM 1040 OG1 THR A 67 0.883 3.406 -5.590 1.00 0.00 O ATOM 1041 CG2 THR A 67 0.540 1.627 -7.186 1.00 0.00 C ATOM 0 H THR A 67 -2.208 1.384 -6.813 1.00 0.00 H new ATOM 0 HA THR A 67 -1.665 3.951 -5.894 1.00 0.00 H new ATOM 0 HB THR A 67 -0.441 1.842 -5.302 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.820 4.256 -6.073 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.392 1.089 -6.770 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.195 0.913 -7.556 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.876 2.260 -8.007 1.00 0.00 H new ATOM 1049 N ILE A 68 -1.267 3.609 -9.060 1.00 0.00 N ATOM 1050 CA ILE A 68 -0.916 4.284 -10.304 1.00 0.00 C ATOM 1051 C ILE A 68 -1.917 5.386 -10.633 1.00 0.00 C ATOM 1052 O ILE A 68 -1.806 6.055 -11.661 1.00 0.00 O ATOM 1053 CB ILE A 68 -0.852 3.295 -11.483 1.00 0.00 C ATOM 1054 CG1 ILE A 68 -0.062 2.046 -11.087 1.00 0.00 C ATOM 1055 CG2 ILE A 68 -0.227 3.961 -12.699 1.00 0.00 C ATOM 1056 CD1 ILE A 68 1.437 2.234 -11.150 1.00 0.00 C ATOM 0 H ILE A 68 -1.840 2.774 -9.181 1.00 0.00 H new ATOM 0 HA ILE A 68 0.070 4.724 -10.156 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.867 2.993 -11.741 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.341 1.755 -10.074 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.345 1.224 -11.744 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.189 3.250 -13.524 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.827 4.823 -12.991 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.784 4.289 -12.455 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.932 1.309 -10.856 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.729 2.495 -12.167 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.732 3.035 -10.472 1.00 0.00 H new ATOM 1068 N THR A 69 -2.895 5.572 -9.752 1.00 0.00 N ATOM 1069 CA THR A 69 -3.916 6.594 -9.947 1.00 0.00 C ATOM 1070 C THR A 69 -4.914 6.175 -11.021 1.00 0.00 C ATOM 1071 O THR A 69 -5.549 7.019 -11.653 1.00 0.00 O ATOM 1072 CB THR A 69 -3.290 7.945 -10.342 1.00 0.00 C ATOM 1073 OG1 THR A 69 -2.130 8.200 -9.542 1.00 0.00 O ATOM 1074 CG2 THR A 69 -4.292 9.076 -10.168 1.00 0.00 C ATOM 0 H THR A 69 -3.002 5.028 -8.896 1.00 0.00 H new ATOM 0 HA THR A 69 -4.436 6.708 -8.996 1.00 0.00 H new ATOM 0 HB THR A 69 -3.002 7.895 -11.392 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.737 9.060 -9.800 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.828 10.020 -10.453 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.161 8.893 -10.801 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.607 9.126 -9.126 1.00 0.00 H new ATOM 1082 N TRP A 70 -5.046 4.869 -11.222 1.00 0.00 N ATOM 1083 CA TRP A 70 -5.969 4.339 -12.220 1.00 0.00 C ATOM 1084 C TRP A 70 -7.380 4.231 -11.653 1.00 0.00 C ATOM 1085 O TRP A 70 -7.703 3.274 -10.949 1.00 0.00 O ATOM 1086 CB TRP A 70 -5.494 2.969 -12.706 1.00 0.00 C ATOM 1087 CG TRP A 70 -4.344 3.044 -13.664 1.00 0.00 C ATOM 1088 CD1 TRP A 70 -3.258 3.869 -13.579 1.00 0.00 C ATOM 1089 CD2 TRP A 70 -4.166 2.267 -14.853 1.00 0.00 C ATOM 1090 NE1 TRP A 70 -2.417 3.651 -14.643 1.00 0.00 N ATOM 1091 CE2 TRP A 70 -2.951 2.672 -15.438 1.00 0.00 C ATOM 1092 CE3 TRP A 70 -4.915 1.266 -15.479 1.00 0.00 C ATOM 1093 CZ2 TRP A 70 -2.470 2.111 -16.619 1.00 0.00 C ATOM 1094 CZ3 TRP A 70 -4.436 0.711 -16.650 1.00 0.00 C ATOM 1095 CH2 TRP A 70 -3.223 1.134 -17.210 1.00 0.00 C ATOM 0 H TRP A 70 -4.526 4.158 -10.708 1.00 0.00 H new ATOM 0 HA TRP A 70 -5.989 5.029 -13.064 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -5.202 2.368 -11.845 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -6.325 2.454 -13.187 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.086 4.587 -12.791 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.538 4.139 -14.813 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.851 0.933 -15.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -1.536 2.436 -17.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.006 -0.063 -17.143 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.876 0.680 -18.126 1.00 0.00 H new ATOM 1106 N GLN A 71 -8.216 5.216 -11.966 1.00 0.00 N ATOM 1107 CA GLN A 71 -9.593 5.229 -11.486 1.00 0.00 C ATOM 1108 C GLN A 71 -10.565 4.896 -12.613 1.00 0.00 C ATOM 1109 O GLN A 71 -11.693 5.389 -12.641 1.00 0.00 O ATOM 1110 CB GLN A 71 -9.934 6.596 -10.890 1.00 0.00 C ATOM 1111 CG GLN A 71 -9.397 6.796 -9.482 1.00 0.00 C ATOM 1112 CD GLN A 71 -10.271 6.147 -8.426 1.00 0.00 C ATOM 1113 OE1 GLN A 71 -11.458 6.454 -8.312 1.00 0.00 O ATOM 1114 NE2 GLN A 71 -9.687 5.244 -7.648 1.00 0.00 N ATOM 0 H GLN A 71 -7.964 6.014 -12.549 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.689 4.468 -10.711 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.533 7.376 -11.537 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.017 6.718 -10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.390 6.383 -9.419 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.317 7.863 -9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.700 5.021 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.225 4.774 -6.920 1.00 0.00 H new TER 1123 GLN A 71