USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 THR OG1 : rot 180:sc= 0.213 USER MOD Set 1.2: A 8 LYS NZ :NH3+ -121:sc= 1.28 (180deg=0.165) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 14 THR OG1 : rot 71:sc= 0.546 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0.021) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -5.4! C(o=-5.4!,f=-7.2!) USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0.882 (180deg=0.876) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.15) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 72:sc= -0.672 USER MOD Single : A 62 GLN : amide:sc= -0.0641 X(o=-0.064,f=-0.47) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 87:sc= 1.22 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.572 -3.838 -7.729 1.00 0.00 N ATOM 2 CA MET A 1 21.398 -3.705 -6.827 1.00 52.30 C ATOM 3 C MET A 1 20.093 -3.694 -7.617 1.00 51.20 C ATOM 4 O MET A 1 19.965 -2.981 -8.612 1.00 60.30 O ATOM 5 CB MET A 1 21.545 -2.408 -6.027 1.00 31.50 C ATOM 6 CG MET A 1 21.240 -2.568 -4.547 1.00 23.20 C ATOM 7 SD MET A 1 20.554 -1.071 -3.813 1.00 30.30 S ATOM 8 CE MET A 1 18.800 -1.364 -4.026 1.00 2.31 C ATOM 0 H1 MET A 1 23.445 -3.843 -7.164 1.00 0.00 H new ATOM 0 H2 MET A 1 22.500 -4.728 -8.263 1.00 0.00 H new ATOM 0 H3 MET A 1 22.593 -3.037 -8.392 1.00 0.00 H new ATOM 0 HA MET A 1 21.364 -4.561 -6.153 1.00 52.30 H new ATOM 0 HB2 MET A 1 22.562 -2.034 -6.141 1.00 31.50 H new ATOM 0 HB3 MET A 1 20.879 -1.654 -6.447 1.00 31.50 H new ATOM 0 HG2 MET A 1 20.536 -3.389 -4.412 1.00 23.20 H new ATOM 0 HG3 MET A 1 22.154 -2.841 -4.019 1.00 23.20 H new ATOM 0 HE1 MET A 1 18.239 -0.523 -3.620 1.00 2.31 H new ATOM 0 HE2 MET A 1 18.575 -1.472 -5.087 1.00 2.31 H new ATOM 0 HE3 MET A 1 18.517 -2.276 -3.501 1.00 2.31 H new ATOM 20 N THR A 2 19.129 -4.490 -7.167 1.00 73.40 N ATOM 21 CA THR A 2 17.834 -4.573 -7.833 1.00 34.00 C ATOM 22 C THR A 2 16.697 -4.542 -6.817 1.00 42.40 C ATOM 23 O THR A 2 16.797 -5.131 -5.741 1.00 55.10 O ATOM 24 CB THR A 2 17.750 -5.849 -8.673 1.00 60.40 C ATOM 25 OG1 THR A 2 18.920 -6.013 -9.453 1.00 41.20 O ATOM 26 CG2 THR A 2 16.563 -5.870 -9.612 1.00 24.20 C ATOM 0 H THR A 2 19.220 -5.086 -6.345 1.00 73.40 H new ATOM 0 HA THR A 2 17.734 -3.708 -8.489 1.00 34.00 H new ATOM 0 HB THR A 2 17.638 -6.661 -7.955 1.00 60.40 H new ATOM 0 HG1 THR A 2 18.848 -6.835 -9.982 1.00 41.20 H new ATOM 0 HG21 THR A 2 16.563 -6.802 -10.178 1.00 24.20 H new ATOM 0 HG22 THR A 2 15.641 -5.796 -9.035 1.00 24.20 H new ATOM 0 HG23 THR A 2 16.629 -5.028 -10.301 1.00 24.20 H new ATOM 34 N THR A 3 15.616 -3.853 -7.167 1.00 65.10 N ATOM 35 CA THR A 3 14.459 -3.746 -6.286 1.00 52.50 C ATOM 36 C THR A 3 13.400 -4.780 -6.651 1.00 40.50 C ATOM 37 O THR A 3 12.835 -4.746 -7.744 1.00 54.30 O ATOM 38 CB THR A 3 13.862 -2.340 -6.362 1.00 32.20 C ATOM 39 OG1 THR A 3 13.695 -1.938 -7.710 1.00 65.20 O ATOM 40 CG2 THR A 3 14.710 -1.292 -5.673 1.00 11.40 C ATOM 0 H THR A 3 15.517 -3.360 -8.055 1.00 65.10 H new ATOM 0 HA THR A 3 14.792 -3.937 -5.266 1.00 52.50 H new ATOM 0 HB THR A 3 12.903 -2.405 -5.847 1.00 32.20 H new ATOM 0 HG1 THR A 3 13.310 -1.037 -7.737 1.00 65.20 H new ATOM 0 HG21 THR A 3 14.230 -0.318 -5.764 1.00 11.40 H new ATOM 0 HG22 THR A 3 14.817 -1.546 -4.619 1.00 11.40 H new ATOM 0 HG23 THR A 3 15.694 -1.256 -6.140 1.00 11.40 H new ATOM 48 N SER A 4 13.134 -5.700 -5.728 1.00 41.30 N ATOM 49 CA SER A 4 12.142 -6.744 -5.953 1.00 4.24 C ATOM 50 C SER A 4 10.733 -6.161 -5.972 1.00 2.23 C ATOM 51 O SER A 4 10.543 -4.961 -5.766 1.00 60.10 O ATOM 52 CB SER A 4 12.250 -7.820 -4.869 1.00 24.10 C ATOM 53 OG SER A 4 12.288 -9.117 -5.440 1.00 25.20 O ATOM 0 H SER A 4 13.592 -5.743 -4.818 1.00 41.30 H new ATOM 0 HA SER A 4 12.340 -7.197 -6.925 1.00 4.24 H new ATOM 0 HB2 SER A 4 13.149 -7.654 -4.276 1.00 24.10 H new ATOM 0 HB3 SER A 4 11.401 -7.743 -4.190 1.00 24.10 H new ATOM 0 HG SER A 4 12.359 -9.786 -4.728 1.00 25.20 H new ATOM 59 N THR A 5 9.747 -7.017 -6.219 1.00 74.40 N ATOM 60 CA THR A 5 8.354 -6.586 -6.264 1.00 20.10 C ATOM 61 C THR A 5 7.795 -6.401 -4.857 1.00 51.10 C ATOM 62 O THR A 5 7.043 -5.461 -4.597 1.00 14.00 O ATOM 63 CB THR A 5 7.509 -7.604 -7.031 1.00 42.30 C ATOM 64 OG1 THR A 5 8.067 -7.861 -8.307 1.00 13.10 O ATOM 65 CG2 THR A 5 6.077 -7.159 -7.238 1.00 33.40 C ATOM 0 H THR A 5 9.886 -8.013 -6.391 1.00 74.40 H new ATOM 0 HA THR A 5 8.313 -5.627 -6.780 1.00 20.10 H new ATOM 0 HB THR A 5 7.508 -8.502 -6.413 1.00 42.30 H new ATOM 0 HG1 THR A 5 7.513 -8.516 -8.781 1.00 13.10 H new ATOM 0 HG21 THR A 5 5.533 -7.927 -7.788 1.00 33.40 H new ATOM 0 HG22 THR A 5 5.602 -7.001 -6.270 1.00 33.40 H new ATOM 0 HG23 THR A 5 6.064 -6.228 -7.805 1.00 33.40 H new ATOM 73 N LEU A 6 8.167 -7.302 -3.955 1.00 64.40 N ATOM 74 CA LEU A 6 7.701 -7.238 -2.574 1.00 12.30 C ATOM 75 C LEU A 6 8.404 -6.118 -1.815 1.00 64.40 C ATOM 76 O LEU A 6 7.810 -5.474 -0.949 1.00 75.40 O ATOM 77 CB LEU A 6 7.941 -8.576 -1.871 1.00 3.01 C ATOM 78 CG LEU A 6 6.809 -9.034 -0.948 1.00 4.21 C ATOM 79 CD1 LEU A 6 5.840 -9.936 -1.698 1.00 71.30 C ATOM 80 CD2 LEU A 6 7.372 -9.750 0.271 1.00 21.10 C ATOM 0 H LEU A 6 8.789 -8.085 -4.154 1.00 64.40 H new ATOM 0 HA LEU A 6 6.631 -7.028 -2.586 1.00 12.30 H new ATOM 0 HB2 LEU A 6 8.105 -9.343 -2.628 1.00 3.01 H new ATOM 0 HB3 LEU A 6 8.859 -8.503 -1.287 1.00 3.01 H new ATOM 0 HG LEU A 6 6.264 -8.153 -0.608 1.00 4.21 H new ATOM 0 HD11 LEU A 6 5.042 -10.252 -1.026 1.00 71.30 H new ATOM 0 HD12 LEU A 6 5.412 -9.390 -2.539 1.00 71.30 H new ATOM 0 HD13 LEU A 6 6.371 -10.813 -2.068 1.00 71.30 H new ATOM 0 HD21 LEU A 6 6.553 -10.069 0.916 1.00 21.10 H new ATOM 0 HD22 LEU A 6 7.941 -10.622 -0.050 1.00 21.10 H new ATOM 0 HD23 LEU A 6 8.025 -9.073 0.821 1.00 21.10 H new ATOM 92 N GLN A 7 9.670 -5.889 -2.145 1.00 52.10 N ATOM 93 CA GLN A 7 10.454 -4.846 -1.493 1.00 23.40 C ATOM 94 C GLN A 7 9.964 -3.460 -1.899 1.00 10.20 C ATOM 95 O GLN A 7 10.045 -2.509 -1.122 1.00 63.40 O ATOM 96 CB GLN A 7 11.935 -4.998 -1.844 1.00 54.30 C ATOM 97 CG GLN A 7 12.864 -4.260 -0.893 1.00 25.00 C ATOM 98 CD GLN A 7 13.701 -5.200 -0.046 1.00 2.00 C ATOM 99 OE1 GLN A 7 14.479 -5.999 -0.568 1.00 1.21 O ATOM 100 NE2 GLN A 7 13.542 -5.111 1.269 1.00 33.50 N ATOM 0 H GLN A 7 10.176 -6.412 -2.860 1.00 52.10 H new ATOM 0 HA GLN A 7 10.329 -4.954 -0.416 1.00 23.40 H new ATOM 0 HB2 GLN A 7 12.193 -6.057 -1.843 1.00 54.30 H new ATOM 0 HB3 GLN A 7 12.099 -4.631 -2.857 1.00 54.30 H new ATOM 0 HG2 GLN A 7 13.524 -3.610 -1.468 1.00 25.00 H new ATOM 0 HG3 GLN A 7 12.273 -3.618 -0.240 1.00 25.00 H new ATOM 0 HE21 GLN A 7 12.886 -4.434 1.659 1.00 33.50 H new ATOM 0 HE22 GLN A 7 14.076 -5.719 1.890 1.00 33.50 H new ATOM 109 N LYS A 8 9.455 -3.353 -3.123 1.00 32.50 N ATOM 110 CA LYS A 8 8.953 -2.081 -3.632 1.00 13.10 C ATOM 111 C LYS A 8 7.646 -1.697 -2.946 1.00 31.00 C ATOM 112 O LYS A 8 7.350 -0.514 -2.773 1.00 71.40 O ATOM 113 CB LYS A 8 8.742 -2.163 -5.146 1.00 62.20 C ATOM 114 CG LYS A 8 9.967 -1.763 -5.952 1.00 62.20 C ATOM 115 CD LYS A 8 9.605 -1.445 -7.394 1.00 14.30 C ATOM 116 CE LYS A 8 9.685 -2.682 -8.275 1.00 64.40 C ATOM 117 NZ LYS A 8 11.064 -2.910 -8.788 1.00 32.40 N ATOM 0 H LYS A 8 9.379 -4.130 -3.779 1.00 32.50 H new ATOM 0 HA LYS A 8 9.695 -1.313 -3.415 1.00 13.10 H new ATOM 0 HB2 LYS A 8 8.460 -3.182 -5.411 1.00 62.20 H new ATOM 0 HB3 LYS A 8 7.908 -1.519 -5.424 1.00 62.20 H new ATOM 0 HG2 LYS A 8 10.438 -0.893 -5.493 1.00 62.20 H new ATOM 0 HG3 LYS A 8 10.699 -2.571 -5.929 1.00 62.20 H new ATOM 0 HD2 LYS A 8 8.597 -1.033 -7.435 1.00 14.30 H new ATOM 0 HD3 LYS A 8 10.278 -0.679 -7.779 1.00 14.30 H new ATOM 0 HE2 LYS A 8 9.360 -3.554 -7.707 1.00 64.40 H new ATOM 0 HE3 LYS A 8 8.998 -2.575 -9.115 1.00 64.40 H new ATOM 0 HZ1 LYS A 8 11.053 -2.905 -9.828 1.00 32.40 H new ATOM 0 HZ2 LYS A 8 11.691 -2.155 -8.445 1.00 32.40 H new ATOM 0 HZ3 LYS A 8 11.413 -3.830 -8.450 1.00 32.40 H new ATOM 131 N ALA A 9 6.867 -2.701 -2.560 1.00 12.40 N ATOM 132 CA ALA A 9 5.592 -2.468 -1.895 1.00 63.20 C ATOM 133 C ALA A 9 5.797 -1.953 -0.474 1.00 55.00 C ATOM 134 O ALA A 9 4.991 -1.175 0.038 1.00 32.40 O ATOM 135 CB ALA A 9 4.762 -3.743 -1.880 1.00 20.20 C ATOM 0 H ALA A 9 7.097 -3.685 -2.697 1.00 12.40 H new ATOM 0 HA ALA A 9 5.055 -1.704 -2.456 1.00 63.20 H new ATOM 0 HB1 ALA A 9 3.812 -3.553 -1.380 1.00 20.20 H new ATOM 0 HB2 ALA A 9 4.575 -4.067 -2.904 1.00 20.20 H new ATOM 0 HB3 ALA A 9 5.304 -4.524 -1.346 1.00 20.20 H new ATOM 141 N ILE A 10 6.880 -2.391 0.159 1.00 33.30 N ATOM 142 CA ILE A 10 7.191 -1.975 1.521 1.00 1.23 C ATOM 143 C ILE A 10 7.676 -0.528 1.558 1.00 25.20 C ATOM 144 O ILE A 10 7.471 0.180 2.545 1.00 42.40 O ATOM 145 CB ILE A 10 8.265 -2.880 2.155 1.00 55.10 C ATOM 146 CG1 ILE A 10 7.885 -4.353 1.991 1.00 41.10 C ATOM 147 CG2 ILE A 10 8.449 -2.537 3.626 1.00 11.50 C ATOM 148 CD1 ILE A 10 9.064 -5.296 2.087 1.00 12.20 C ATOM 0 H ILE A 10 7.557 -3.035 -0.250 1.00 33.30 H new ATOM 0 HA ILE A 10 6.268 -2.062 2.095 1.00 1.23 H new ATOM 0 HB ILE A 10 9.211 -2.708 1.641 1.00 55.10 H new ATOM 0 HG12 ILE A 10 7.155 -4.619 2.755 1.00 41.10 H new ATOM 0 HG13 ILE A 10 7.399 -4.489 1.025 1.00 41.10 H new ATOM 0 HG21 ILE A 10 9.211 -3.186 4.058 1.00 11.50 H new ATOM 0 HG22 ILE A 10 8.761 -1.497 3.721 1.00 11.50 H new ATOM 0 HG23 ILE A 10 7.507 -2.682 4.154 1.00 11.50 H new ATOM 0 HD11 ILE A 10 8.720 -6.323 1.962 1.00 12.20 H new ATOM 0 HD12 ILE A 10 9.786 -5.057 1.306 1.00 12.20 H new ATOM 0 HD13 ILE A 10 9.537 -5.189 3.063 1.00 12.20 H new ATOM 160 N ASP A 11 8.320 -0.097 0.479 1.00 14.40 N ATOM 161 CA ASP A 11 8.836 1.265 0.389 1.00 41.30 C ATOM 162 C ASP A 11 7.700 2.267 0.198 1.00 44.50 C ATOM 163 O ASP A 11 7.792 3.414 0.638 1.00 11.30 O ATOM 164 CB ASP A 11 9.835 1.378 -0.764 1.00 52.40 C ATOM 165 CG ASP A 11 11.256 1.589 -0.279 1.00 13.40 C ATOM 166 OD1 ASP A 11 11.609 2.743 0.040 1.00 60.20 O ATOM 167 OD2 ASP A 11 12.016 0.599 -0.219 1.00 53.00 O ATOM 0 H ASP A 11 8.497 -0.670 -0.346 1.00 14.40 H new ATOM 0 HA ASP A 11 9.345 1.498 1.324 1.00 41.30 H new ATOM 0 HB2 ASP A 11 9.791 0.472 -1.369 1.00 52.40 H new ATOM 0 HB3 ASP A 11 9.548 2.207 -1.410 1.00 52.40 H new ATOM 172 N LEU A 12 6.634 1.830 -0.461 1.00 2.33 N ATOM 173 CA LEU A 12 5.483 2.690 -0.711 1.00 13.10 C ATOM 174 C LEU A 12 4.682 2.918 0.567 1.00 14.30 C ATOM 175 O LEU A 12 4.064 3.968 0.746 1.00 1.24 O ATOM 176 CB LEU A 12 4.585 2.075 -1.789 1.00 2.25 C ATOM 177 CG LEU A 12 4.886 2.530 -3.217 1.00 74.30 C ATOM 178 CD1 LEU A 12 4.577 4.010 -3.383 1.00 55.20 C ATOM 179 CD2 LEU A 12 6.337 2.244 -3.572 1.00 21.20 C ATOM 0 H LEU A 12 6.542 0.884 -0.832 1.00 2.33 H new ATOM 0 HA LEU A 12 5.852 3.654 -1.061 1.00 13.10 H new ATOM 0 HB2 LEU A 12 4.678 0.990 -1.742 1.00 2.25 H new ATOM 0 HB3 LEU A 12 3.548 2.317 -1.558 1.00 2.25 H new ATOM 0 HG LEU A 12 4.248 1.968 -3.899 1.00 74.30 H new ATOM 0 HD11 LEU A 12 4.798 4.315 -4.406 1.00 55.20 H new ATOM 0 HD12 LEU A 12 3.523 4.188 -3.171 1.00 55.20 H new ATOM 0 HD13 LEU A 12 5.189 4.589 -2.692 1.00 55.20 H new ATOM 0 HD21 LEU A 12 6.534 2.574 -4.592 1.00 21.20 H new ATOM 0 HD22 LEU A 12 6.992 2.779 -2.884 1.00 21.20 H new ATOM 0 HD23 LEU A 12 6.526 1.173 -3.494 1.00 21.20 H new ATOM 191 N VAL A 13 4.695 1.928 1.452 1.00 50.40 N ATOM 192 CA VAL A 13 3.969 2.020 2.714 1.00 4.02 C ATOM 193 C VAL A 13 4.675 2.957 3.689 1.00 24.40 C ATOM 194 O VAL A 13 4.035 3.605 4.516 1.00 13.00 O ATOM 195 CB VAL A 13 3.808 0.636 3.373 1.00 12.20 C ATOM 196 CG1 VAL A 13 2.924 0.729 4.607 1.00 42.30 C ATOM 197 CG2 VAL A 13 3.242 -0.366 2.378 1.00 31.20 C ATOM 0 H VAL A 13 5.200 1.052 1.319 1.00 50.40 H new ATOM 0 HA VAL A 13 2.982 2.420 2.482 1.00 4.02 H new ATOM 0 HB VAL A 13 4.792 0.288 3.686 1.00 12.20 H new ATOM 0 HG11 VAL A 13 2.823 -0.258 5.057 1.00 42.30 H new ATOM 0 HG12 VAL A 13 3.375 1.412 5.327 1.00 42.30 H new ATOM 0 HG13 VAL A 13 1.940 1.100 4.322 1.00 42.30 H new ATOM 0 HG21 VAL A 13 3.135 -1.337 2.861 1.00 31.20 H new ATOM 0 HG22 VAL A 13 2.267 -0.024 2.032 1.00 31.20 H new ATOM 0 HG23 VAL A 13 3.918 -0.456 1.528 1.00 31.20 H new ATOM 207 N THR A 14 5.999 3.023 3.584 1.00 42.10 N ATOM 208 CA THR A 14 6.792 3.880 4.458 1.00 0.14 C ATOM 209 C THR A 14 6.606 5.350 4.098 1.00 74.00 C ATOM 210 O THR A 14 6.514 6.207 4.976 1.00 2.21 O ATOM 211 CB THR A 14 8.272 3.505 4.364 1.00 21.30 C ATOM 212 OG1 THR A 14 8.448 2.109 4.526 1.00 33.20 O ATOM 213 CG2 THR A 14 9.132 4.199 5.400 1.00 70.20 C ATOM 0 H THR A 14 6.544 2.494 2.903 1.00 42.10 H new ATOM 0 HA THR A 14 6.448 3.730 5.481 1.00 0.14 H new ATOM 0 HB THR A 14 8.589 3.830 3.373 1.00 21.30 H new ATOM 0 HG1 THR A 14 8.110 1.642 3.733 1.00 33.20 H new ATOM 0 HG21 THR A 14 10.170 3.889 5.278 1.00 70.20 H new ATOM 0 HG22 THR A 14 9.058 5.279 5.270 1.00 70.20 H new ATOM 0 HG23 THR A 14 8.788 3.929 6.398 1.00 70.20 H new ATOM 221 N LYS A 15 6.555 5.635 2.801 1.00 1.01 N ATOM 222 CA LYS A 15 6.382 7.002 2.324 1.00 71.50 C ATOM 223 C LYS A 15 4.953 7.487 2.556 1.00 51.20 C ATOM 224 O LYS A 15 4.711 8.684 2.712 1.00 43.40 O ATOM 225 CB LYS A 15 6.731 7.093 0.837 1.00 44.20 C ATOM 226 CG LYS A 15 8.083 7.735 0.570 1.00 3.20 C ATOM 227 CD LYS A 15 9.170 6.689 0.386 1.00 41.40 C ATOM 228 CE LYS A 15 10.481 7.130 1.018 1.00 11.40 C ATOM 229 NZ LYS A 15 11.655 6.482 0.373 1.00 43.40 N ATOM 0 H LYS A 15 6.631 4.937 2.061 1.00 1.01 H new ATOM 0 HA LYS A 15 7.057 7.644 2.889 1.00 71.50 H new ATOM 0 HB2 LYS A 15 6.722 6.091 0.408 1.00 44.20 H new ATOM 0 HB3 LYS A 15 5.958 7.666 0.325 1.00 44.20 H new ATOM 0 HG2 LYS A 15 8.021 8.358 -0.322 1.00 3.20 H new ATOM 0 HG3 LYS A 15 8.345 8.392 1.400 1.00 3.20 H new ATOM 0 HD2 LYS A 15 8.849 5.747 0.831 1.00 41.40 H new ATOM 0 HD3 LYS A 15 9.322 6.504 -0.677 1.00 41.40 H new ATOM 0 HE2 LYS A 15 10.576 8.213 0.939 1.00 11.40 H new ATOM 0 HE3 LYS A 15 10.471 6.888 2.081 1.00 11.40 H new ATOM 0 HZ1 LYS A 15 12.528 6.809 0.833 1.00 43.40 H new ATOM 0 HZ2 LYS A 15 11.578 5.449 0.470 1.00 43.40 H new ATOM 0 HZ3 LYS A 15 11.680 6.734 -0.636 1.00 43.40 H new ATOM 243 N ALA A 16 4.009 6.551 2.576 1.00 35.20 N ATOM 244 CA ALA A 16 2.606 6.885 2.787 1.00 60.00 C ATOM 245 C ALA A 16 2.346 7.299 4.232 1.00 24.10 C ATOM 246 O ALA A 16 1.726 8.331 4.489 1.00 40.00 O ATOM 247 CB ALA A 16 1.721 5.707 2.406 1.00 25.30 C ATOM 0 H ALA A 16 4.191 5.555 2.449 1.00 35.20 H new ATOM 0 HA ALA A 16 2.362 7.733 2.147 1.00 60.00 H new ATOM 0 HB1 ALA A 16 0.676 5.970 2.568 1.00 25.30 H new ATOM 0 HB2 ALA A 16 1.874 5.462 1.355 1.00 25.30 H new ATOM 0 HB3 ALA A 16 1.978 4.845 3.021 1.00 25.30 H new ATOM 253 N THR A 17 2.819 6.487 5.171 1.00 74.40 N ATOM 254 CA THR A 17 2.634 6.770 6.590 1.00 61.40 C ATOM 255 C THR A 17 3.241 8.118 6.966 1.00 15.40 C ATOM 256 O THR A 17 2.609 8.925 7.648 1.00 44.10 O ATOM 257 CB THR A 17 3.262 5.661 7.439 1.00 64.20 C ATOM 258 OG1 THR A 17 3.154 5.965 8.818 1.00 10.20 O ATOM 259 CG2 THR A 17 4.725 5.428 7.134 1.00 31.40 C ATOM 0 H THR A 17 3.333 5.628 4.976 1.00 74.40 H new ATOM 0 HA THR A 17 1.563 6.810 6.787 1.00 61.40 H new ATOM 0 HB THR A 17 2.708 4.757 7.188 1.00 64.20 H new ATOM 0 HG1 THR A 17 3.559 5.245 9.345 1.00 10.20 H new ATOM 0 HG21 THR A 17 5.107 4.630 7.771 1.00 31.40 H new ATOM 0 HG22 THR A 17 4.838 5.143 6.088 1.00 31.40 H new ATOM 0 HG23 THR A 17 5.286 6.343 7.323 1.00 31.40 H new ATOM 267 N GLU A 18 4.469 8.356 6.517 1.00 53.10 N ATOM 268 CA GLU A 18 5.159 9.607 6.807 1.00 3.14 C ATOM 269 C GLU A 18 4.411 10.796 6.213 1.00 11.20 C ATOM 270 O GLU A 18 4.464 11.905 6.744 1.00 10.10 O ATOM 271 CB GLU A 18 6.588 9.565 6.261 1.00 63.30 C ATOM 272 CG GLU A 18 6.656 9.451 4.748 1.00 10.20 C ATOM 273 CD GLU A 18 8.079 9.489 4.224 1.00 4.24 C ATOM 274 OE1 GLU A 18 8.827 8.518 4.467 1.00 0.23 O ATOM 275 OE2 GLU A 18 8.444 10.488 3.571 1.00 34.20 O ATOM 0 H GLU A 18 5.006 7.699 5.951 1.00 53.10 H new ATOM 0 HA GLU A 18 5.193 9.728 7.890 1.00 3.14 H new ATOM 0 HB2 GLU A 18 7.114 10.467 6.573 1.00 63.30 H new ATOM 0 HB3 GLU A 18 7.113 8.719 6.705 1.00 63.30 H new ATOM 0 HG2 GLU A 18 6.182 8.520 4.436 1.00 10.20 H new ATOM 0 HG3 GLU A 18 6.086 10.265 4.300 1.00 10.20 H new ATOM 282 N GLU A 19 3.715 10.558 5.105 1.00 75.50 N ATOM 283 CA GLU A 19 2.958 11.611 4.439 1.00 15.00 C ATOM 284 C GLU A 19 1.673 11.925 5.198 1.00 24.10 C ATOM 285 O GLU A 19 1.279 13.085 5.317 1.00 52.00 O ATOM 286 CB GLU A 19 2.630 11.198 3.001 1.00 60.00 C ATOM 287 CG GLU A 19 3.550 11.823 1.966 1.00 32.40 C ATOM 288 CD GLU A 19 3.870 10.877 0.824 1.00 42.30 C ATOM 289 OE1 GLU A 19 2.993 10.065 0.463 1.00 0.33 O ATOM 290 OE2 GLU A 19 4.998 10.949 0.293 1.00 33.50 O ATOM 0 H GLU A 19 3.660 9.646 4.651 1.00 75.50 H new ATOM 0 HA GLU A 19 3.573 12.511 4.421 1.00 15.00 H new ATOM 0 HB2 GLU A 19 2.690 10.113 2.921 1.00 60.00 H new ATOM 0 HB3 GLU A 19 1.601 11.478 2.777 1.00 60.00 H new ATOM 0 HG2 GLU A 19 3.083 12.724 1.567 1.00 32.40 H new ATOM 0 HG3 GLU A 19 4.478 12.131 2.448 1.00 32.40 H new ATOM 297 N ASP A 20 1.021 10.885 5.711 1.00 3.31 N ATOM 298 CA ASP A 20 -0.222 11.053 6.458 1.00 63.10 C ATOM 299 C ASP A 20 -0.044 12.050 7.599 1.00 53.10 C ATOM 300 O ASP A 20 -0.857 12.959 7.775 1.00 54.20 O ATOM 301 CB ASP A 20 -0.694 9.704 7.009 1.00 5.33 C ATOM 302 CG ASP A 20 -1.881 9.152 6.246 1.00 44.50 C ATOM 303 OD1 ASP A 20 -2.990 9.708 6.390 1.00 53.40 O ATOM 304 OD2 ASP A 20 -1.702 8.163 5.504 1.00 33.50 O ATOM 0 H ASP A 20 1.333 9.918 5.623 1.00 3.31 H new ATOM 0 HA ASP A 20 -0.977 11.445 5.776 1.00 63.10 H new ATOM 0 HB2 ASP A 20 0.127 8.989 6.965 1.00 5.33 H new ATOM 0 HB3 ASP A 20 -0.962 9.817 8.060 1.00 5.33 H new ATOM 309 N LYS A 21 1.022 11.876 8.372 1.00 74.30 N ATOM 310 CA LYS A 21 1.307 12.762 9.495 1.00 74.20 C ATOM 311 C LYS A 21 1.846 14.109 9.018 1.00 11.30 C ATOM 312 O LYS A 21 1.867 15.080 9.774 1.00 12.30 O ATOM 313 CB LYS A 21 2.312 12.107 10.446 1.00 34.50 C ATOM 314 CG LYS A 21 3.638 11.765 9.788 1.00 10.40 C ATOM 315 CD LYS A 21 4.233 10.490 10.362 1.00 44.00 C ATOM 316 CE LYS A 21 5.740 10.605 10.529 1.00 31.10 C ATOM 317 NZ LYS A 21 6.120 10.939 11.930 1.00 13.10 N ATOM 0 H LYS A 21 1.704 11.129 8.242 1.00 74.30 H new ATOM 0 HA LYS A 21 0.371 12.938 10.025 1.00 74.20 H new ATOM 0 HB2 LYS A 21 2.495 12.777 11.286 1.00 34.50 H new ATOM 0 HB3 LYS A 21 1.873 11.197 10.854 1.00 34.50 H new ATOM 0 HG2 LYS A 21 3.493 11.648 8.714 1.00 10.40 H new ATOM 0 HG3 LYS A 21 4.338 12.589 9.928 1.00 10.40 H new ATOM 0 HD2 LYS A 21 3.774 10.275 11.327 1.00 44.00 H new ATOM 0 HD3 LYS A 21 4.001 9.651 9.705 1.00 44.00 H new ATOM 0 HE2 LYS A 21 6.210 9.665 10.240 1.00 31.10 H new ATOM 0 HE3 LYS A 21 6.122 11.373 9.856 1.00 31.10 H new ATOM 0 HZ1 LYS A 21 7.155 11.008 12.002 1.00 13.10 H new ATOM 0 HZ2 LYS A 21 5.693 11.848 12.198 1.00 13.10 H new ATOM 0 HZ3 LYS A 21 5.778 10.194 12.570 1.00 13.10 H new ATOM 331 N ALA A 22 2.286 14.164 7.763 1.00 5.21 N ATOM 332 CA ALA A 22 2.825 15.396 7.198 1.00 15.30 C ATOM 333 C ALA A 22 1.757 16.175 6.433 1.00 43.20 C ATOM 334 O ALA A 22 2.072 16.963 5.541 1.00 33.30 O ATOM 335 CB ALA A 22 4.003 15.084 6.287 1.00 52.00 C ATOM 0 H ALA A 22 2.280 13.372 7.121 1.00 5.21 H new ATOM 0 HA ALA A 22 3.166 16.021 8.023 1.00 15.30 H new ATOM 0 HB1 ALA A 22 4.397 16.011 5.871 1.00 52.00 H new ATOM 0 HB2 ALA A 22 4.783 14.583 6.860 1.00 52.00 H new ATOM 0 HB3 ALA A 22 3.674 14.434 5.476 1.00 52.00 H new ATOM 341 N LYS A 23 0.495 15.953 6.788 1.00 71.40 N ATOM 342 CA LYS A 23 -0.616 16.640 6.134 1.00 44.10 C ATOM 343 C LYS A 23 -0.595 16.406 4.625 1.00 44.30 C ATOM 344 O LYS A 23 -0.896 17.308 3.844 1.00 31.00 O ATOM 345 CB LYS A 23 -0.559 18.140 6.431 1.00 70.40 C ATOM 346 CG LYS A 23 -1.133 18.514 7.788 1.00 22.30 C ATOM 347 CD LYS A 23 -2.552 19.045 7.666 1.00 1.05 C ATOM 348 CE LYS A 23 -3.403 18.642 8.859 1.00 51.50 C ATOM 349 NZ LYS A 23 -4.797 18.308 8.460 1.00 51.00 N ATOM 0 H LYS A 23 0.215 15.304 7.524 1.00 71.40 H new ATOM 0 HA LYS A 23 -1.545 16.231 6.531 1.00 44.10 H new ATOM 0 HB2 LYS A 23 0.478 18.473 6.380 1.00 70.40 H new ATOM 0 HB3 LYS A 23 -1.104 18.677 5.655 1.00 70.40 H new ATOM 0 HG2 LYS A 23 -1.125 17.641 8.441 1.00 22.30 H new ATOM 0 HG3 LYS A 23 -0.500 19.268 8.256 1.00 22.30 H new ATOM 0 HD2 LYS A 23 -2.529 20.132 7.585 1.00 1.05 H new ATOM 0 HD3 LYS A 23 -3.006 18.667 6.750 1.00 1.05 H new ATOM 0 HE2 LYS A 23 -2.951 17.782 9.353 1.00 51.50 H new ATOM 0 HE3 LYS A 23 -3.418 19.455 9.585 1.00 51.50 H new ATOM 0 HZ1 LYS A 23 -5.344 18.038 9.302 1.00 51.00 H new ATOM 0 HZ2 LYS A 23 -5.238 19.136 8.011 1.00 51.00 H new ATOM 0 HZ3 LYS A 23 -4.785 17.515 7.787 1.00 51.00 H new ATOM 363 N ASN A 24 -0.239 15.190 4.224 1.00 63.00 N ATOM 364 CA ASN A 24 -0.179 14.840 2.809 1.00 21.20 C ATOM 365 C ASN A 24 -1.190 13.745 2.478 1.00 41.30 C ATOM 366 O ASN A 24 -0.869 12.771 1.797 1.00 1.23 O ATOM 367 CB ASN A 24 1.232 14.382 2.434 1.00 45.30 C ATOM 368 CG ASN A 24 2.105 15.529 1.963 1.00 11.30 C ATOM 369 OD1 ASN A 24 3.048 15.929 2.647 1.00 65.20 O ATOM 370 ND2 ASN A 24 1.794 16.066 0.789 1.00 21.50 N ATOM 0 H ASN A 24 0.012 14.431 4.858 1.00 63.00 H new ATOM 0 HA ASN A 24 -0.429 15.728 2.228 1.00 21.20 H new ATOM 0 HB2 ASN A 24 1.698 13.905 3.296 1.00 45.30 H new ATOM 0 HB3 ASN A 24 1.170 13.629 1.648 1.00 45.30 H new ATOM 0 HD21 ASN A 24 2.345 16.841 0.421 1.00 21.50 H new ATOM 0 HD22 ASN A 24 1.004 15.703 0.255 1.00 21.50 H new ATOM 377 N TYR A 25 -2.416 13.911 2.968 1.00 55.00 N ATOM 378 CA TYR A 25 -3.478 12.939 2.727 1.00 74.20 C ATOM 379 C TYR A 25 -3.635 12.652 1.236 1.00 11.40 C ATOM 380 O TYR A 25 -3.882 11.516 0.836 1.00 60.40 O ATOM 381 CB TYR A 25 -4.802 13.448 3.301 1.00 23.20 C ATOM 382 CG TYR A 25 -4.848 13.455 4.812 1.00 54.20 C ATOM 383 CD1 TYR A 25 -4.269 14.488 5.538 1.00 32.00 C ATOM 384 CD2 TYR A 25 -5.470 12.430 5.512 1.00 32.10 C ATOM 385 CE1 TYR A 25 -4.310 14.500 6.919 1.00 50.10 C ATOM 386 CE2 TYR A 25 -5.515 12.433 6.893 1.00 32.20 C ATOM 387 CZ TYR A 25 -4.933 13.471 7.592 1.00 13.10 C ATOM 388 OH TYR A 25 -4.975 13.477 8.967 1.00 4.33 O ATOM 0 H TYR A 25 -2.698 14.711 3.535 1.00 55.00 H new ATOM 0 HA TYR A 25 -3.202 12.011 3.227 1.00 74.20 H new ATOM 0 HB2 TYR A 25 -4.981 14.460 2.936 1.00 23.20 H new ATOM 0 HB3 TYR A 25 -5.614 12.826 2.925 1.00 23.20 H new ATOM 0 HD1 TYR A 25 -3.779 15.295 5.014 1.00 32.00 H new ATOM 0 HD2 TYR A 25 -5.926 11.616 4.968 1.00 32.10 H new ATOM 0 HE1 TYR A 25 -3.856 15.312 7.468 1.00 50.10 H new ATOM 0 HE2 TYR A 25 -6.003 11.628 7.422 1.00 32.20 H new ATOM 0 HH TYR A 25 -5.451 12.681 9.283 1.00 4.33 H new ATOM 398 N GLU A 26 -3.490 13.692 0.420 1.00 15.30 N ATOM 399 CA GLU A 26 -3.614 13.551 -1.026 1.00 22.40 C ATOM 400 C GLU A 26 -2.556 12.598 -1.573 1.00 62.30 C ATOM 401 O GLU A 26 -2.871 11.647 -2.287 1.00 51.50 O ATOM 402 CB GLU A 26 -3.490 14.916 -1.705 1.00 65.00 C ATOM 403 CG GLU A 26 -4.830 15.553 -2.038 1.00 64.00 C ATOM 404 CD GLU A 26 -5.266 15.282 -3.465 1.00 42.10 C ATOM 405 OE1 GLU A 26 -4.524 15.662 -4.395 1.00 21.20 O ATOM 406 OE2 GLU A 26 -6.349 14.689 -3.651 1.00 63.40 O ATOM 0 H GLU A 26 -3.287 14.640 0.736 1.00 15.30 H new ATOM 0 HA GLU A 26 -4.598 13.134 -1.242 1.00 22.40 H new ATOM 0 HB2 GLU A 26 -2.930 15.587 -1.054 1.00 65.00 H new ATOM 0 HB3 GLU A 26 -2.912 14.805 -2.622 1.00 65.00 H new ATOM 0 HG2 GLU A 26 -5.588 15.175 -1.352 1.00 64.00 H new ATOM 0 HG3 GLU A 26 -4.766 16.630 -1.880 1.00 64.00 H new ATOM 413 N GLU A 27 -1.298 12.860 -1.230 1.00 20.40 N ATOM 414 CA GLU A 27 -0.193 12.026 -1.687 1.00 20.10 C ATOM 415 C GLU A 27 -0.297 10.619 -1.109 1.00 24.00 C ATOM 416 O GLU A 27 -0.031 9.633 -1.796 1.00 23.20 O ATOM 417 CB GLU A 27 1.145 12.655 -1.289 1.00 12.10 C ATOM 418 CG GLU A 27 2.278 12.333 -2.249 1.00 71.00 C ATOM 419 CD GLU A 27 2.461 13.396 -3.313 1.00 1.12 C ATOM 420 OE1 GLU A 27 3.236 14.346 -3.077 1.00 74.30 O ATOM 421 OE2 GLU A 27 1.829 13.278 -4.385 1.00 43.40 O ATOM 0 H GLU A 27 -1.020 13.642 -0.638 1.00 20.40 H new ATOM 0 HA GLU A 27 -0.247 11.958 -2.773 1.00 20.10 H new ATOM 0 HB2 GLU A 27 1.025 13.737 -1.231 1.00 12.10 H new ATOM 0 HB3 GLU A 27 1.416 12.310 -0.291 1.00 12.10 H new ATOM 0 HG2 GLU A 27 3.205 12.224 -1.687 1.00 71.00 H new ATOM 0 HG3 GLU A 27 2.081 11.374 -2.729 1.00 71.00 H new ATOM 428 N ALA A 28 -0.687 10.532 0.159 1.00 61.10 N ATOM 429 CA ALA A 28 -0.827 9.245 0.829 1.00 43.30 C ATOM 430 C ALA A 28 -1.831 8.354 0.106 1.00 15.10 C ATOM 431 O ALA A 28 -1.697 7.130 0.099 1.00 30.30 O ATOM 432 CB ALA A 28 -1.247 9.448 2.277 1.00 23.20 C ATOM 0 H ALA A 28 -0.912 11.338 0.743 1.00 61.10 H new ATOM 0 HA ALA A 28 0.142 8.746 0.808 1.00 43.30 H new ATOM 0 HB1 ALA A 28 -1.348 8.479 2.766 1.00 23.20 H new ATOM 0 HB2 ALA A 28 -0.492 10.039 2.795 1.00 23.20 H new ATOM 0 HB3 ALA A 28 -2.202 9.972 2.309 1.00 23.20 H new ATOM 438 N LEU A 29 -2.837 8.975 -0.501 1.00 42.10 N ATOM 439 CA LEU A 29 -3.863 8.237 -1.228 1.00 25.40 C ATOM 440 C LEU A 29 -3.263 7.488 -2.413 1.00 72.40 C ATOM 441 O LEU A 29 -3.560 6.315 -2.633 1.00 44.20 O ATOM 442 CB LEU A 29 -4.957 9.190 -1.714 1.00 51.10 C ATOM 443 CG LEU A 29 -6.231 8.511 -2.220 1.00 33.10 C ATOM 444 CD1 LEU A 29 -7.231 8.342 -1.087 1.00 51.00 C ATOM 445 CD2 LEU A 29 -6.844 9.309 -3.360 1.00 12.00 C ATOM 0 H LEU A 29 -2.963 9.987 -0.504 1.00 42.10 H new ATOM 0 HA LEU A 29 -4.300 7.508 -0.546 1.00 25.40 H new ATOM 0 HB2 LEU A 29 -5.222 9.861 -0.897 1.00 51.10 H new ATOM 0 HB3 LEU A 29 -4.550 9.807 -2.515 1.00 51.10 H new ATOM 0 HG LEU A 29 -5.968 7.522 -2.596 1.00 33.10 H new ATOM 0 HD11 LEU A 29 -8.131 7.857 -1.465 1.00 51.00 H new ATOM 0 HD12 LEU A 29 -6.791 7.727 -0.302 1.00 51.00 H new ATOM 0 HD13 LEU A 29 -7.489 9.320 -0.681 1.00 51.00 H new ATOM 0 HD21 LEU A 29 -7.749 8.811 -3.707 1.00 12.00 H new ATOM 0 HD22 LEU A 29 -7.092 10.311 -3.010 1.00 12.00 H new ATOM 0 HD23 LEU A 29 -6.130 9.378 -4.181 1.00 12.00 H new ATOM 457 N ARG A 30 -2.416 8.176 -3.174 1.00 3.41 N ATOM 458 CA ARG A 30 -1.776 7.576 -4.338 1.00 42.10 C ATOM 459 C ARG A 30 -0.621 6.671 -3.920 1.00 31.10 C ATOM 460 O ARG A 30 -0.320 5.683 -4.589 1.00 61.30 O ATOM 461 CB ARG A 30 -1.267 8.665 -5.284 1.00 74.50 C ATOM 462 CG ARG A 30 -2.378 9.440 -5.974 1.00 12.20 C ATOM 463 CD ARG A 30 -3.054 8.607 -7.051 1.00 3.21 C ATOM 464 NE ARG A 30 -3.319 9.385 -8.259 1.00 14.20 N ATOM 465 CZ ARG A 30 -4.192 9.023 -9.197 1.00 31.40 C ATOM 466 NH1 ARG A 30 -4.885 7.899 -9.071 1.00 72.40 N ATOM 467 NH2 ARG A 30 -4.373 9.789 -10.260 1.00 4.12 N ATOM 0 H ARG A 30 -2.158 9.148 -3.005 1.00 3.41 H new ATOM 0 HA ARG A 30 -2.519 6.970 -4.857 1.00 42.10 H new ATOM 0 HB2 ARG A 30 -0.645 9.361 -4.722 1.00 74.50 H new ATOM 0 HB3 ARG A 30 -0.630 8.208 -6.041 1.00 74.50 H new ATOM 0 HG2 ARG A 30 -3.117 9.752 -5.236 1.00 12.20 H new ATOM 0 HG3 ARG A 30 -1.968 10.347 -6.418 1.00 12.20 H new ATOM 0 HD2 ARG A 30 -2.422 7.755 -7.300 1.00 3.21 H new ATOM 0 HD3 ARG A 30 -3.991 8.207 -6.665 1.00 3.21 H new ATOM 0 HE ARG A 30 -2.805 10.256 -8.392 1.00 14.20 H new ATOM 0 HH11 ARG A 30 -4.751 7.306 -8.252 1.00 72.40 H new ATOM 0 HH12 ARG A 30 -5.552 7.628 -9.793 1.00 72.40 H new ATOM 0 HH21 ARG A 30 -3.844 10.655 -10.360 1.00 4.12 H new ATOM 0 HH22 ARG A 30 -5.041 9.513 -10.980 1.00 4.12 H new ATOM 481 N LEU A 31 0.023 7.014 -2.810 1.00 3.22 N ATOM 482 CA LEU A 31 1.146 6.233 -2.303 1.00 51.30 C ATOM 483 C LEU A 31 0.676 4.883 -1.770 1.00 32.10 C ATOM 484 O LEU A 31 1.301 3.853 -2.024 1.00 10.20 O ATOM 485 CB LEU A 31 1.877 7.007 -1.203 1.00 0.45 C ATOM 486 CG LEU A 31 3.159 7.711 -1.650 1.00 72.20 C ATOM 487 CD1 LEU A 31 4.218 6.692 -2.040 1.00 72.30 C ATOM 488 CD2 LEU A 31 2.873 8.653 -2.810 1.00 44.20 C ATOM 0 H LEU A 31 -0.213 7.828 -2.243 1.00 3.22 H new ATOM 0 HA LEU A 31 1.834 6.054 -3.129 1.00 51.30 H new ATOM 0 HB2 LEU A 31 1.197 7.752 -0.790 1.00 0.45 H new ATOM 0 HB3 LEU A 31 2.122 6.317 -0.396 1.00 0.45 H new ATOM 0 HG LEU A 31 3.538 8.299 -0.814 1.00 72.20 H new ATOM 0 HD11 LEU A 31 5.123 7.211 -2.355 1.00 72.30 H new ATOM 0 HD12 LEU A 31 4.444 6.056 -1.184 1.00 72.30 H new ATOM 0 HD13 LEU A 31 3.847 6.078 -2.861 1.00 72.30 H new ATOM 0 HD21 LEU A 31 3.796 9.145 -3.115 1.00 44.20 H new ATOM 0 HD22 LEU A 31 2.470 8.085 -3.649 1.00 44.20 H new ATOM 0 HD23 LEU A 31 2.147 9.404 -2.498 1.00 44.20 H new ATOM 500 N TYR A 32 -0.426 4.896 -1.028 1.00 24.00 N ATOM 501 CA TYR A 32 -0.977 3.671 -0.458 1.00 42.40 C ATOM 502 C TYR A 32 -1.546 2.770 -1.548 1.00 41.40 C ATOM 503 O TYR A 32 -1.286 1.567 -1.571 1.00 43.30 O ATOM 504 CB TYR A 32 -2.065 4.005 0.566 1.00 54.20 C ATOM 505 CG TYR A 32 -1.600 3.891 2.001 1.00 21.00 C ATOM 506 CD1 TYR A 32 -1.428 2.647 2.598 1.00 24.30 C ATOM 507 CD2 TYR A 32 -1.332 5.024 2.757 1.00 74.30 C ATOM 508 CE1 TYR A 32 -1.004 2.538 3.908 1.00 71.50 C ATOM 509 CE2 TYR A 32 -0.907 4.923 4.069 1.00 14.30 C ATOM 510 CZ TYR A 32 -0.744 3.678 4.639 1.00 72.30 C ATOM 511 OH TYR A 32 -0.321 3.573 5.944 1.00 71.10 O ATOM 0 H TYR A 32 -0.955 5.740 -0.807 1.00 24.00 H new ATOM 0 HA TYR A 32 -0.169 3.137 0.042 1.00 42.40 H new ATOM 0 HB2 TYR A 32 -2.421 5.020 0.388 1.00 54.20 H new ATOM 0 HB3 TYR A 32 -2.913 3.338 0.413 1.00 54.20 H new ATOM 0 HD1 TYR A 32 -1.629 1.752 2.028 1.00 24.30 H new ATOM 0 HD2 TYR A 32 -1.458 6.001 2.313 1.00 74.30 H new ATOM 0 HE1 TYR A 32 -0.877 1.564 4.358 1.00 71.50 H new ATOM 0 HE2 TYR A 32 -0.704 5.814 4.644 1.00 14.30 H new ATOM 0 HH TYR A 32 -0.182 4.469 6.316 1.00 71.10 H new ATOM 521 N GLN A 33 -2.325 3.358 -2.450 1.00 62.20 N ATOM 522 CA GLN A 33 -2.933 2.608 -3.545 1.00 21.30 C ATOM 523 C GLN A 33 -1.870 1.910 -4.387 1.00 34.50 C ATOM 524 O GLN A 33 -2.114 0.845 -4.954 1.00 52.00 O ATOM 525 CB GLN A 33 -3.766 3.539 -4.426 1.00 32.20 C ATOM 526 CG GLN A 33 -5.101 3.928 -3.810 1.00 5.44 C ATOM 527 CD GLN A 33 -5.993 4.676 -4.780 1.00 44.10 C ATOM 528 OE1 GLN A 33 -5.887 5.894 -4.927 1.00 54.10 O ATOM 529 NE2 GLN A 33 -6.881 3.950 -5.449 1.00 43.10 N ATOM 0 H GLN A 33 -2.551 4.353 -2.445 1.00 62.20 H new ATOM 0 HA GLN A 33 -3.583 1.847 -3.112 1.00 21.30 H new ATOM 0 HB2 GLN A 33 -3.192 4.443 -4.629 1.00 32.20 H new ATOM 0 HB3 GLN A 33 -3.946 3.053 -5.385 1.00 32.20 H new ATOM 0 HG2 GLN A 33 -5.615 3.030 -3.468 1.00 5.44 H new ATOM 0 HG3 GLN A 33 -4.925 4.548 -2.931 1.00 5.44 H new ATOM 0 HE21 GLN A 33 -6.935 2.943 -5.297 1.00 43.10 H new ATOM 0 HE22 GLN A 33 -7.509 4.399 -6.115 1.00 43.10 H new ATOM 538 N HIS A 34 -0.691 2.519 -4.469 1.00 53.10 N ATOM 539 CA HIS A 34 0.407 1.957 -5.246 1.00 64.10 C ATOM 540 C HIS A 34 0.989 0.723 -4.561 1.00 73.40 C ATOM 541 O HIS A 34 1.225 -0.300 -5.203 1.00 15.40 O ATOM 542 CB HIS A 34 1.503 3.006 -5.449 1.00 53.20 C ATOM 543 CG HIS A 34 1.431 3.697 -6.776 1.00 54.10 C ATOM 544 ND1 HIS A 34 2.367 3.515 -7.772 1.00 13.10 N ATOM 545 CD2 HIS A 34 0.524 4.574 -7.270 1.00 43.10 C ATOM 546 CE1 HIS A 34 2.041 4.250 -8.820 1.00 51.30 C ATOM 547 NE2 HIS A 34 0.926 4.901 -8.541 1.00 25.20 N ATOM 0 H HIS A 34 -0.472 3.402 -4.007 1.00 53.10 H new ATOM 0 HA HIS A 34 0.013 1.657 -6.217 1.00 64.10 H new ATOM 0 HB2 HIS A 34 1.433 3.751 -4.656 1.00 53.20 H new ATOM 0 HB3 HIS A 34 2.477 2.526 -5.351 1.00 53.20 H new ATOM 0 HD2 HIS A 34 -0.352 4.946 -6.759 1.00 43.10 H new ATOM 0 HE1 HIS A 34 2.592 4.309 -9.747 1.00 51.30 H new ATOM 0 HE2 HIS A 34 0.442 5.543 -9.169 1.00 25.20 H new ATOM 556 N ALA A 35 1.217 0.827 -3.257 1.00 60.00 N ATOM 557 CA ALA A 35 1.773 -0.280 -2.487 1.00 42.10 C ATOM 558 C ALA A 35 0.886 -1.518 -2.581 1.00 33.10 C ATOM 559 O ALA A 35 1.377 -2.647 -2.569 1.00 74.40 O ATOM 560 CB ALA A 35 1.961 0.130 -1.034 1.00 31.40 C ATOM 0 H ALA A 35 1.026 1.667 -2.710 1.00 60.00 H new ATOM 0 HA ALA A 35 2.745 -0.532 -2.911 1.00 42.10 H new ATOM 0 HB1 ALA A 35 2.377 -0.706 -0.471 1.00 31.40 H new ATOM 0 HB2 ALA A 35 2.643 0.978 -0.981 1.00 31.40 H new ATOM 0 HB3 ALA A 35 0.998 0.411 -0.608 1.00 31.40 H new ATOM 566 N VAL A 36 -0.422 -1.299 -2.672 1.00 73.30 N ATOM 567 CA VAL A 36 -1.375 -2.397 -2.766 1.00 64.10 C ATOM 568 C VAL A 36 -1.293 -3.085 -4.124 1.00 42.40 C ATOM 569 O VAL A 36 -1.518 -4.291 -4.236 1.00 22.40 O ATOM 570 CB VAL A 36 -2.819 -1.912 -2.536 1.00 30.30 C ATOM 571 CG1 VAL A 36 -3.771 -3.093 -2.434 1.00 2.13 C ATOM 572 CG2 VAL A 36 -2.898 -1.043 -1.289 1.00 11.00 C ATOM 0 H VAL A 36 -0.845 -0.371 -2.683 1.00 73.30 H new ATOM 0 HA VAL A 36 -1.110 -3.109 -1.985 1.00 64.10 H new ATOM 0 HB VAL A 36 -3.120 -1.308 -3.392 1.00 30.30 H new ATOM 0 HG11 VAL A 36 -4.786 -2.729 -2.272 1.00 2.13 H new ATOM 0 HG12 VAL A 36 -3.736 -3.670 -3.358 1.00 2.13 H new ATOM 0 HG13 VAL A 36 -3.475 -3.728 -1.599 1.00 2.13 H new ATOM 0 HG21 VAL A 36 -3.925 -0.710 -1.142 1.00 11.00 H new ATOM 0 HG22 VAL A 36 -2.577 -1.620 -0.422 1.00 11.00 H new ATOM 0 HG23 VAL A 36 -2.249 -0.176 -1.408 1.00 11.00 H new ATOM 582 N GLU A 37 -0.974 -2.311 -5.156 1.00 24.10 N ATOM 583 CA GLU A 37 -0.864 -2.846 -6.508 1.00 3.34 C ATOM 584 C GLU A 37 0.358 -3.748 -6.642 1.00 21.10 C ATOM 585 O GLU A 37 0.339 -4.730 -7.386 1.00 54.40 O ATOM 586 CB GLU A 37 -0.782 -1.705 -7.524 1.00 40.40 C ATOM 587 CG GLU A 37 -2.139 -1.236 -8.023 1.00 34.50 C ATOM 588 CD GLU A 37 -2.785 -2.225 -8.974 1.00 31.40 C ATOM 589 OE1 GLU A 37 -2.513 -2.144 -10.190 1.00 52.30 O ATOM 590 OE2 GLU A 37 -3.563 -3.081 -8.501 1.00 11.40 O ATOM 0 H GLU A 37 -0.787 -1.311 -5.082 1.00 24.10 H new ATOM 0 HA GLU A 37 -1.755 -3.441 -6.708 1.00 3.34 H new ATOM 0 HB2 GLU A 37 -0.260 -0.863 -7.070 1.00 40.40 H new ATOM 0 HB3 GLU A 37 -0.184 -2.030 -8.375 1.00 40.40 H new ATOM 0 HG2 GLU A 37 -2.799 -1.073 -7.171 1.00 34.50 H new ATOM 0 HG3 GLU A 37 -2.025 -0.276 -8.526 1.00 34.50 H new ATOM 597 N TYR A 38 1.421 -3.410 -5.922 1.00 62.50 N ATOM 598 CA TYR A 38 2.654 -4.189 -5.962 1.00 2.33 C ATOM 599 C TYR A 38 2.489 -5.513 -5.221 1.00 21.30 C ATOM 600 O TYR A 38 3.111 -6.514 -5.575 1.00 13.20 O ATOM 601 CB TYR A 38 3.807 -3.390 -5.353 1.00 52.40 C ATOM 602 CG TYR A 38 4.481 -2.457 -6.332 1.00 41.20 C ATOM 603 CD1 TYR A 38 5.468 -2.919 -7.194 1.00 32.50 C ATOM 604 CD2 TYR A 38 4.131 -1.114 -6.395 1.00 13.40 C ATOM 605 CE1 TYR A 38 6.087 -2.070 -8.090 1.00 14.40 C ATOM 606 CE2 TYR A 38 4.745 -0.259 -7.290 1.00 71.10 C ATOM 607 CZ TYR A 38 5.722 -0.741 -8.135 1.00 31.40 C ATOM 608 OH TYR A 38 6.337 0.109 -9.026 1.00 25.20 O ATOM 0 H TYR A 38 1.455 -2.601 -5.302 1.00 62.50 H new ATOM 0 HA TYR A 38 2.882 -4.405 -7.006 1.00 2.33 H new ATOM 0 HB2 TYR A 38 3.430 -2.809 -4.511 1.00 52.40 H new ATOM 0 HB3 TYR A 38 4.548 -4.083 -4.956 1.00 52.40 H new ATOM 0 HD1 TYR A 38 5.756 -3.959 -7.163 1.00 32.50 H new ATOM 0 HD2 TYR A 38 3.367 -0.732 -5.734 1.00 13.40 H new ATOM 0 HE1 TYR A 38 6.853 -2.445 -8.752 1.00 14.40 H new ATOM 0 HE2 TYR A 38 4.461 0.782 -7.327 1.00 71.10 H new ATOM 0 HH TYR A 38 5.963 1.010 -8.930 1.00 25.20 H new ATOM 618 N PHE A 39 1.649 -5.509 -4.191 1.00 72.30 N ATOM 619 CA PHE A 39 1.406 -6.710 -3.401 1.00 34.20 C ATOM 620 C PHE A 39 0.569 -7.718 -4.181 1.00 33.50 C ATOM 621 O PHE A 39 0.888 -8.906 -4.221 1.00 52.30 O ATOM 622 CB PHE A 39 0.702 -6.349 -2.092 1.00 73.10 C ATOM 623 CG PHE A 39 1.643 -5.923 -1.001 1.00 62.40 C ATOM 624 CD1 PHE A 39 2.603 -6.797 -0.517 1.00 23.10 C ATOM 625 CD2 PHE A 39 1.568 -4.649 -0.461 1.00 62.20 C ATOM 626 CE1 PHE A 39 3.471 -6.408 0.486 1.00 43.00 C ATOM 627 CE2 PHE A 39 2.433 -4.255 0.542 1.00 62.30 C ATOM 628 CZ PHE A 39 3.385 -5.136 1.016 1.00 11.30 C ATOM 0 H PHE A 39 1.126 -4.689 -3.884 1.00 72.30 H new ATOM 0 HA PHE A 39 2.370 -7.166 -3.175 1.00 34.20 H new ATOM 0 HB2 PHE A 39 -0.009 -5.545 -2.281 1.00 73.10 H new ATOM 0 HB3 PHE A 39 0.127 -7.209 -1.749 1.00 73.10 H new ATOM 0 HD1 PHE A 39 2.674 -7.793 -0.928 1.00 23.10 H new ATOM 0 HD2 PHE A 39 0.825 -3.956 -0.828 1.00 62.20 H new ATOM 0 HE1 PHE A 39 4.215 -7.098 0.855 1.00 43.00 H new ATOM 0 HE2 PHE A 39 2.365 -3.259 0.955 1.00 62.30 H new ATOM 0 HZ PHE A 39 4.062 -4.830 1.800 1.00 11.30 H new ATOM 638 N LEU A 40 -0.505 -7.236 -4.799 1.00 23.10 N ATOM 639 CA LEU A 40 -1.389 -8.096 -5.576 1.00 42.20 C ATOM 640 C LEU A 40 -0.633 -8.774 -6.715 1.00 33.20 C ATOM 641 O LEU A 40 -0.831 -9.958 -6.986 1.00 21.30 O ATOM 642 CB LEU A 40 -2.559 -7.284 -6.138 1.00 53.20 C ATOM 643 CG LEU A 40 -3.657 -6.948 -5.128 1.00 50.00 C ATOM 644 CD1 LEU A 40 -4.623 -5.927 -5.711 1.00 52.30 C ATOM 645 CD2 LEU A 40 -4.399 -8.208 -4.711 1.00 44.40 C ATOM 0 H LEU A 40 -0.783 -6.255 -4.776 1.00 23.10 H new ATOM 0 HA LEU A 40 -1.775 -8.869 -4.912 1.00 42.20 H new ATOM 0 HB2 LEU A 40 -2.170 -6.354 -6.552 1.00 53.20 H new ATOM 0 HB3 LEU A 40 -3.004 -7.839 -6.964 1.00 53.20 H new ATOM 0 HG LEU A 40 -3.191 -6.514 -4.243 1.00 50.00 H new ATOM 0 HD11 LEU A 40 -5.398 -5.700 -4.979 1.00 52.30 H new ATOM 0 HD12 LEU A 40 -4.081 -5.015 -5.961 1.00 52.30 H new ATOM 0 HD13 LEU A 40 -5.083 -6.334 -6.611 1.00 52.30 H new ATOM 0 HD21 LEU A 40 -5.177 -7.951 -3.992 1.00 44.40 H new ATOM 0 HD22 LEU A 40 -4.853 -8.670 -5.588 1.00 44.40 H new ATOM 0 HD23 LEU A 40 -3.699 -8.908 -4.254 1.00 44.40 H new ATOM 657 N HIS A 41 0.232 -8.015 -7.379 1.00 51.40 N ATOM 658 CA HIS A 41 1.017 -8.543 -8.489 1.00 55.30 C ATOM 659 C HIS A 41 2.040 -9.563 -8.000 1.00 43.40 C ATOM 660 O HIS A 41 2.345 -10.530 -8.693 1.00 45.30 O ATOM 661 CB HIS A 41 1.727 -7.406 -9.226 1.00 44.30 C ATOM 662 CG HIS A 41 2.283 -7.810 -10.550 1.00 61.30 C ATOM 663 ND1 HIS A 41 1.951 -7.177 -11.730 1.00 25.40 N ATOM 664 CD2 HIS A 41 3.157 -8.789 -10.890 1.00 60.40 C ATOM 665 CE1 HIS A 41 2.594 -7.751 -12.730 1.00 25.00 C ATOM 666 NE2 HIS A 41 3.333 -8.731 -12.250 1.00 52.20 N ATOM 0 H HIS A 41 0.407 -7.033 -7.168 1.00 51.40 H new ATOM 0 HA HIS A 41 0.334 -9.043 -9.176 1.00 55.30 H new ATOM 0 HB2 HIS A 41 1.026 -6.584 -9.371 1.00 44.30 H new ATOM 0 HB3 HIS A 41 2.536 -7.028 -8.601 1.00 44.30 H new ATOM 0 HD2 HIS A 41 3.629 -9.487 -10.214 1.00 60.40 H new ATOM 0 HE1 HIS A 41 2.526 -7.465 -13.769 1.00 25.00 H new ATOM 0 HE2 HIS A 41 3.936 -9.345 -12.798 1.00 52.20 H new ATOM 675 N ALA A 42 2.569 -9.335 -6.802 1.00 74.20 N ATOM 676 CA ALA A 42 3.560 -10.230 -6.221 1.00 15.10 C ATOM 677 C ALA A 42 2.964 -11.610 -5.950 1.00 4.04 C ATOM 678 O ALA A 42 3.615 -12.630 -6.165 1.00 14.40 O ATOM 679 CB ALA A 42 4.121 -9.638 -4.938 1.00 51.30 C ATOM 0 H ALA A 42 2.327 -8.537 -6.215 1.00 74.20 H new ATOM 0 HA ALA A 42 4.371 -10.346 -6.940 1.00 15.10 H new ATOM 0 HB1 ALA A 42 4.860 -10.319 -4.516 1.00 51.30 H new ATOM 0 HB2 ALA A 42 4.593 -8.680 -5.155 1.00 51.30 H new ATOM 0 HB3 ALA A 42 3.313 -9.491 -4.222 1.00 51.30 H new ATOM 685 N ILE A 43 1.723 -11.630 -5.474 1.00 61.20 N ATOM 686 CA ILE A 43 1.040 -12.880 -5.171 1.00 73.00 C ATOM 687 C ILE A 43 0.621 -13.600 -6.447 1.00 15.30 C ATOM 688 O ILE A 43 0.828 -14.810 -6.585 1.00 32.10 O ATOM 689 CB ILE A 43 -0.207 -12.640 -4.296 1.00 72.10 C ATOM 690 CG1 ILE A 43 0.150 -11.790 -3.077 1.00 3.51 C ATOM 691 CG2 ILE A 43 -0.807 -13.970 -3.858 1.00 74.20 C ATOM 692 CD1 ILE A 43 -0.912 -10.770 -2.721 1.00 13.30 C ATOM 0 H ILE A 43 1.170 -10.793 -5.290 1.00 61.20 H new ATOM 0 HA ILE A 43 1.746 -13.502 -4.622 1.00 73.00 H new ATOM 0 HB ILE A 43 -0.947 -12.101 -4.887 1.00 72.10 H new ATOM 0 HG12 ILE A 43 0.314 -12.446 -2.222 1.00 3.51 H new ATOM 0 HG13 ILE A 43 1.090 -11.273 -3.267 1.00 3.51 H new ATOM 0 HG21 ILE A 43 -1.687 -13.787 -3.241 1.00 74.20 H new ATOM 0 HG22 ILE A 43 -1.094 -14.547 -4.737 1.00 74.20 H new ATOM 0 HG23 ILE A 43 -0.070 -14.530 -3.282 1.00 74.20 H new ATOM 0 HD11 ILE A 43 -0.593 -10.202 -1.847 1.00 13.30 H new ATOM 0 HD12 ILE A 43 -1.060 -10.091 -3.561 1.00 13.30 H new ATOM 0 HD13 ILE A 43 -1.848 -11.282 -2.499 1.00 13.30 H new ATOM 704 N LYS A 44 0.030 -12.860 -7.377 1.00 33.20 N ATOM 705 CA LYS A 44 -0.419 -13.430 -8.642 1.00 45.20 C ATOM 706 C LYS A 44 0.746 -14.050 -9.407 1.00 22.20 C ATOM 707 O LYS A 44 0.637 -15.160 -9.931 1.00 20.30 O ATOM 708 CB LYS A 44 -1.094 -12.360 -9.499 1.00 34.50 C ATOM 709 CG LYS A 44 -2.134 -12.910 -10.450 1.00 41.40 C ATOM 710 CD LYS A 44 -1.626 -12.920 -11.890 1.00 41.40 C ATOM 711 CE LYS A 44 -1.770 -14.290 -12.530 1.00 62.50 C ATOM 712 NZ LYS A 44 -0.463 -15.000 -12.630 1.00 40.20 N ATOM 0 H LYS A 44 -0.150 -11.861 -7.279 1.00 33.20 H new ATOM 0 HA LYS A 44 -1.141 -14.215 -8.418 1.00 45.20 H new ATOM 0 HB2 LYS A 44 -1.565 -11.626 -8.845 1.00 34.50 H new ATOM 0 HB3 LYS A 44 -0.332 -11.833 -10.073 1.00 34.50 H new ATOM 0 HG2 LYS A 44 -2.403 -13.923 -10.151 1.00 41.40 H new ATOM 0 HG3 LYS A 44 -3.041 -12.308 -10.387 1.00 41.40 H new ATOM 0 HD2 LYS A 44 -2.179 -12.185 -12.475 1.00 41.40 H new ATOM 0 HD3 LYS A 44 -0.579 -12.619 -11.908 1.00 41.40 H new ATOM 0 HE2 LYS A 44 -2.466 -14.892 -11.945 1.00 62.50 H new ATOM 0 HE3 LYS A 44 -2.201 -14.182 -13.525 1.00 62.50 H new ATOM 0 HZ1 LYS A 44 -0.613 -15.950 -13.025 1.00 40.20 H new ATOM 0 HZ2 LYS A 44 0.177 -14.464 -13.251 1.00 40.20 H new ATOM 0 HZ3 LYS A 44 -0.039 -15.082 -11.684 1.00 40.20 H new ATOM 726 N TYR A 45 1.861 -13.330 -9.466 1.00 43.20 N ATOM 727 CA TYR A 45 3.045 -13.810 -10.160 1.00 72.30 C ATOM 728 C TYR A 45 3.850 -14.760 -9.290 1.00 15.20 C ATOM 729 O TYR A 45 3.993 -15.940 -9.607 1.00 22.10 O ATOM 730 CB TYR A 45 3.920 -12.630 -10.600 1.00 71.50 C ATOM 731 CG TYR A 45 3.533 -12.050 -11.940 1.00 51.10 C ATOM 732 CD1 TYR A 45 2.286 -11.470 -12.130 1.00 22.30 C ATOM 733 CD2 TYR A 45 4.415 -12.080 -13.010 1.00 24.10 C ATOM 734 CE1 TYR A 45 1.928 -10.940 -13.360 1.00 42.40 C ATOM 735 CE2 TYR A 45 4.066 -11.560 -14.240 1.00 2.32 C ATOM 736 CZ TYR A 45 2.822 -10.990 -14.410 1.00 43.40 C ATOM 737 OH TYR A 45 2.470 -10.460 -15.630 1.00 13.30 O ATOM 0 H TYR A 45 1.967 -12.410 -9.039 1.00 43.20 H new ATOM 0 HA TYR A 45 2.714 -14.358 -11.042 1.00 72.30 H new ATOM 0 HB2 TYR A 45 3.863 -11.846 -9.845 1.00 71.50 H new ATOM 0 HB3 TYR A 45 4.959 -12.956 -10.642 1.00 71.50 H new ATOM 0 HD1 TYR A 45 1.586 -11.431 -11.309 1.00 22.30 H new ATOM 0 HD2 TYR A 45 5.393 -12.518 -12.878 1.00 24.10 H new ATOM 0 HE1 TYR A 45 0.955 -10.491 -13.496 1.00 42.40 H new ATOM 0 HE2 TYR A 45 4.763 -11.599 -15.064 1.00 2.32 H new ATOM 0 HH TYR A 45 3.210 -10.574 -16.262 1.00 13.30 H new ATOM 747 N GLU A 46 4.373 -14.240 -8.185 1.00 15.30 N ATOM 748 CA GLU A 46 5.164 -15.040 -7.260 1.00 73.50 C ATOM 749 C GLU A 46 4.316 -15.510 -6.081 1.00 60.10 C ATOM 750 O GLU A 46 4.172 -14.800 -5.087 1.00 13.20 O ATOM 751 CB GLU A 46 6.367 -14.250 -6.755 1.00 73.30 C ATOM 752 CG GLU A 46 7.516 -14.180 -7.748 1.00 31.10 C ATOM 753 CD GLU A 46 8.840 -14.600 -7.136 1.00 52.20 C ATOM 754 OE1 GLU A 46 9.500 -13.740 -6.511 1.00 24.30 O ATOM 755 OE2 GLU A 46 9.219 -15.780 -7.282 1.00 60.20 O ATOM 0 H GLU A 46 4.262 -13.265 -7.908 1.00 15.30 H new ATOM 0 HA GLU A 46 5.522 -15.916 -7.801 1.00 73.50 H new ATOM 0 HB2 GLU A 46 6.048 -13.237 -6.511 1.00 73.30 H new ATOM 0 HB3 GLU A 46 6.725 -14.703 -5.831 1.00 73.30 H new ATOM 0 HG2 GLU A 46 7.294 -14.821 -8.601 1.00 31.10 H new ATOM 0 HG3 GLU A 46 7.602 -13.162 -8.128 1.00 31.10 H new ATOM 762 N ALA A 47 3.755 -16.710 -6.196 1.00 3.04 N ATOM 763 CA ALA A 47 2.920 -17.270 -5.140 1.00 34.00 C ATOM 764 C ALA A 47 3.760 -18.030 -4.119 1.00 11.30 C ATOM 765 O ALA A 47 4.262 -19.110 -4.398 1.00 31.10 O ATOM 766 CB ALA A 47 1.857 -18.180 -5.734 1.00 12.10 C ATOM 0 H ALA A 47 3.864 -17.313 -7.011 1.00 3.04 H new ATOM 0 HA ALA A 47 2.429 -16.445 -4.624 1.00 34.00 H new ATOM 0 HB1 ALA A 47 1.241 -18.591 -4.934 1.00 12.10 H new ATOM 0 HB2 ALA A 47 1.229 -17.608 -6.418 1.00 12.10 H new ATOM 0 HB3 ALA A 47 2.337 -18.994 -6.277 1.00 12.10 H new ATOM 772 N HIS A 48 3.907 -17.440 -2.932 1.00 23.30 N ATOM 773 CA HIS A 48 4.684 -18.060 -1.866 1.00 2.23 C ATOM 774 C HIS A 48 3.834 -19.070 -1.093 1.00 31.20 C ATOM 775 O HIS A 48 2.688 -19.330 -1.455 1.00 21.00 O ATOM 776 CB HIS A 48 5.228 -16.990 -0.918 1.00 61.20 C ATOM 777 CG HIS A 48 6.384 -16.230 -1.482 1.00 71.00 C ATOM 778 ND1 HIS A 48 7.501 -16.840 -2.018 1.00 21.40 N ATOM 779 CD2 HIS A 48 6.594 -14.890 -1.596 1.00 53.00 C ATOM 780 CE1 HIS A 48 8.346 -15.910 -2.436 1.00 62.00 C ATOM 781 NE2 HIS A 48 7.819 -14.730 -2.191 1.00 65.30 N ATOM 0 H HIS A 48 3.499 -16.538 -2.688 1.00 23.30 H new ATOM 0 HA HIS A 48 5.522 -18.591 -2.316 1.00 2.23 H new ATOM 0 HB2 HIS A 48 4.428 -16.291 -0.673 1.00 61.20 H new ATOM 0 HB3 HIS A 48 5.534 -17.463 0.015 1.00 61.20 H new ATOM 0 HD2 HIS A 48 5.925 -14.104 -1.279 1.00 53.00 H new ATOM 0 HE1 HIS A 48 9.305 -16.090 -2.899 1.00 62.00 H new ATOM 0 HE2 HIS A 48 8.254 -13.834 -2.410 1.00 65.30 H new ATOM 790 N SER A 49 4.401 -19.620 -0.027 1.00 63.40 N ATOM 791 CA SER A 49 3.691 -20.600 0.793 1.00 12.50 C ATOM 792 C SER A 49 2.458 -19.970 1.438 1.00 34.00 C ATOM 793 O SER A 49 2.239 -18.770 1.335 1.00 34.40 O ATOM 794 CB SER A 49 4.617 -21.160 1.874 1.00 75.50 C ATOM 795 OG SER A 49 5.691 -21.890 1.300 1.00 45.10 O ATOM 0 H SER A 49 5.346 -19.407 0.291 1.00 63.40 H new ATOM 0 HA SER A 49 3.368 -21.416 0.146 1.00 12.50 H new ATOM 0 HB2 SER A 49 5.011 -20.343 2.479 1.00 75.50 H new ATOM 0 HB3 SER A 49 4.050 -21.807 2.543 1.00 75.50 H new ATOM 0 HG SER A 49 6.269 -22.236 2.012 1.00 45.10 H new ATOM 801 N ASP A 50 1.657 -20.800 2.100 1.00 71.00 N ATOM 802 CA ASP A 50 0.445 -20.330 2.761 1.00 64.30 C ATOM 803 C ASP A 50 0.762 -19.230 3.772 1.00 24.10 C ATOM 804 O ASP A 50 0.048 -18.230 3.865 1.00 50.30 O ATOM 805 CB ASP A 50 -0.264 -21.490 3.459 1.00 72.20 C ATOM 806 CG ASP A 50 -1.772 -21.420 3.324 1.00 13.40 C ATOM 807 OD1 ASP A 50 -2.389 -20.580 4.018 1.00 11.20 O ATOM 808 OD2 ASP A 50 -2.336 -22.190 2.523 1.00 42.10 O ATOM 0 H ASP A 50 1.826 -21.802 2.193 1.00 71.00 H new ATOM 0 HA ASP A 50 -0.214 -19.916 1.998 1.00 64.30 H new ATOM 0 HB2 ASP A 50 0.091 -22.432 3.041 1.00 72.20 H new ATOM 0 HB3 ASP A 50 0.002 -21.490 4.516 1.00 72.20 H new ATOM 813 N LYS A 51 1.838 -19.420 4.528 1.00 15.00 N ATOM 814 CA LYS A 51 2.250 -18.450 5.534 1.00 43.10 C ATOM 815 C LYS A 51 2.536 -17.100 4.896 1.00 2.00 C ATOM 816 O LYS A 51 2.051 -16.070 5.362 1.00 12.00 O ATOM 817 CB LYS A 51 3.489 -18.950 6.279 1.00 5.55 C ATOM 818 CG LYS A 51 3.233 -19.270 7.744 1.00 24.20 C ATOM 819 CD LYS A 51 4.531 -19.350 8.533 1.00 30.40 C ATOM 820 CE LYS A 51 4.622 -20.650 9.322 1.00 31.30 C ATOM 821 NZ LYS A 51 5.951 -20.810 9.973 1.00 23.10 N ATOM 0 H LYS A 51 2.442 -20.240 4.462 1.00 15.00 H new ATOM 0 HA LYS A 51 1.433 -18.330 6.246 1.00 43.10 H new ATOM 0 HB2 LYS A 51 3.865 -19.844 5.781 1.00 5.55 H new ATOM 0 HB3 LYS A 51 4.272 -18.194 6.213 1.00 5.55 H new ATOM 0 HG2 LYS A 51 2.589 -18.505 8.177 1.00 24.20 H new ATOM 0 HG3 LYS A 51 2.699 -20.217 7.823 1.00 24.20 H new ATOM 0 HD2 LYS A 51 5.378 -19.276 7.851 1.00 30.40 H new ATOM 0 HD3 LYS A 51 4.597 -18.503 9.216 1.00 30.40 H new ATOM 0 HE2 LYS A 51 3.841 -20.670 10.082 1.00 31.30 H new ATOM 0 HE3 LYS A 51 4.440 -21.493 8.656 1.00 31.30 H new ATOM 0 HZ1 LYS A 51 5.974 -21.706 10.500 1.00 23.10 H new ATOM 0 HZ2 LYS A 51 6.695 -20.817 9.246 1.00 23.10 H new ATOM 0 HZ3 LYS A 51 6.114 -20.019 10.628 1.00 23.10 H new ATOM 835 N ALA A 52 3.330 -17.100 3.831 1.00 43.30 N ATOM 836 CA ALA A 52 3.685 -15.870 3.133 1.00 43.10 C ATOM 837 C ALA A 52 2.512 -15.350 2.310 1.00 1.33 C ATOM 838 O ALA A 52 2.330 -14.140 2.175 1.00 10.30 O ATOM 839 CB ALA A 52 4.896 -16.100 2.242 1.00 63.40 C ATOM 0 H ALA A 52 3.742 -17.943 3.431 1.00 43.30 H new ATOM 0 HA ALA A 52 3.935 -15.116 3.879 1.00 43.10 H new ATOM 0 HB1 ALA A 52 5.150 -15.174 1.727 1.00 63.40 H new ATOM 0 HB2 ALA A 52 5.741 -16.420 2.852 1.00 63.40 H new ATOM 0 HB3 ALA A 52 4.666 -16.872 1.508 1.00 63.40 H new ATOM 845 N LYS A 53 1.723 -16.260 1.760 1.00 42.30 N ATOM 846 CA LYS A 53 0.570 -15.890 0.948 1.00 3.13 C ATOM 847 C LYS A 53 -0.544 -15.310 1.816 1.00 70.40 C ATOM 848 O LYS A 53 -1.264 -14.400 1.396 1.00 44.10 O ATOM 849 CB LYS A 53 0.050 -17.100 0.173 1.00 52.40 C ATOM 850 CG LYS A 53 -0.725 -16.730 -1.082 1.00 44.20 C ATOM 851 CD LYS A 53 -1.539 -17.910 -1.599 1.00 54.10 C ATOM 852 CE LYS A 53 -2.973 -17.860 -1.099 1.00 62.30 C ATOM 853 NZ LYS A 53 -3.870 -18.750 -1.886 1.00 12.30 N ATOM 0 H LYS A 53 1.860 -17.266 1.861 1.00 42.30 H new ATOM 0 HA LYS A 53 0.890 -15.127 0.239 1.00 3.13 H new ATOM 0 HB2 LYS A 53 0.893 -17.734 -0.104 1.00 52.40 H new ATOM 0 HB3 LYS A 53 -0.592 -17.691 0.826 1.00 52.40 H new ATOM 0 HG2 LYS A 53 -1.390 -15.893 -0.868 1.00 44.20 H new ATOM 0 HG3 LYS A 53 -0.032 -16.397 -1.855 1.00 44.20 H new ATOM 0 HD2 LYS A 53 -1.533 -17.908 -2.689 1.00 54.10 H new ATOM 0 HD3 LYS A 53 -1.074 -18.842 -1.279 1.00 54.10 H new ATOM 0 HE2 LYS A 53 -3.001 -18.153 -0.050 1.00 62.30 H new ATOM 0 HE3 LYS A 53 -3.340 -16.835 -1.154 1.00 62.30 H new ATOM 0 HZ1 LYS A 53 -4.838 -18.686 -1.512 1.00 12.30 H new ATOM 0 HZ2 LYS A 53 -3.864 -18.455 -2.883 1.00 12.30 H new ATOM 0 HZ3 LYS A 53 -3.535 -19.732 -1.813 1.00 12.30 H new ATOM 867 N GLU A 54 -0.682 -15.840 3.025 1.00 71.30 N ATOM 868 CA GLU A 54 -1.710 -15.380 3.951 1.00 33.10 C ATOM 869 C GLU A 54 -1.343 -14.020 4.537 1.00 13.10 C ATOM 870 O GLU A 54 -2.209 -13.170 4.750 1.00 54.40 O ATOM 871 CB GLU A 54 -1.906 -16.390 5.078 1.00 10.30 C ATOM 872 CG GLU A 54 -3.221 -16.230 5.823 1.00 33.10 C ATOM 873 CD GLU A 54 -3.595 -17.460 6.623 1.00 5.20 C ATOM 874 OE1 GLU A 54 -3.256 -18.580 6.183 1.00 23.40 O ATOM 875 OE2 GLU A 54 -4.229 -17.310 7.688 1.00 3.50 O ATOM 0 H GLU A 54 -0.094 -16.590 3.388 1.00 71.30 H new ATOM 0 HA GLU A 54 -2.642 -15.282 3.395 1.00 33.10 H new ATOM 0 HB2 GLU A 54 -1.854 -17.397 4.664 1.00 10.30 H new ATOM 0 HB3 GLU A 54 -1.084 -16.294 5.787 1.00 10.30 H new ATOM 0 HG2 GLU A 54 -3.152 -15.373 6.493 1.00 33.10 H new ATOM 0 HG3 GLU A 54 -4.014 -16.012 5.108 1.00 33.10 H new ATOM 882 N SER A 55 -0.056 -13.820 4.797 1.00 3.10 N ATOM 883 CA SER A 55 0.425 -12.560 5.360 1.00 45.10 C ATOM 884 C SER A 55 0.163 -11.400 4.407 1.00 13.30 C ATOM 885 O SER A 55 -0.284 -10.330 4.824 1.00 35.40 O ATOM 886 CB SER A 55 1.920 -12.660 5.669 1.00 62.30 C ATOM 887 OG SER A 55 2.234 -12.000 6.885 1.00 72.30 O ATOM 0 H SER A 55 0.674 -14.512 4.628 1.00 3.10 H new ATOM 0 HA SER A 55 -0.120 -12.370 6.285 1.00 45.10 H new ATOM 0 HB2 SER A 55 2.212 -13.708 5.734 1.00 62.30 H new ATOM 0 HB3 SER A 55 2.494 -12.219 4.854 1.00 62.30 H new ATOM 0 HG SER A 55 3.195 -12.079 7.062 1.00 72.30 H new ATOM 893 N ILE A 56 0.447 -11.620 3.127 1.00 11.30 N ATOM 894 CA ILE A 56 0.245 -10.580 2.115 1.00 11.30 C ATOM 895 C ILE A 56 -1.240 -10.350 1.857 1.00 0.34 C ATOM 896 O ILE A 56 -1.679 -9.220 1.684 1.00 31.10 O ATOM 897 CB ILE A 56 0.934 -10.960 0.788 1.00 22.40 C ATOM 898 CG1 ILE A 56 2.394 -11.340 1.034 1.00 12.40 C ATOM 899 CG2 ILE A 56 0.847 -9.806 -0.199 1.00 42.20 C ATOM 900 CD1 ILE A 56 2.954 -12.280 -0.012 1.00 54.20 C ATOM 0 H ILE A 56 0.815 -12.500 2.765 1.00 11.30 H new ATOM 0 HA ILE A 56 0.689 -9.662 2.501 1.00 11.30 H new ATOM 0 HB ILE A 56 0.420 -11.822 0.364 1.00 22.40 H new ATOM 0 HG12 ILE A 56 2.999 -10.433 1.058 1.00 12.40 H new ATOM 0 HG13 ILE A 56 2.480 -11.807 2.015 1.00 12.40 H new ATOM 0 HG21 ILE A 56 1.337 -10.087 -1.131 1.00 42.20 H new ATOM 0 HG22 ILE A 56 -0.200 -9.573 -0.395 1.00 42.20 H new ATOM 0 HG23 ILE A 56 1.341 -8.930 0.221 1.00 42.20 H new ATOM 0 HD11 ILE A 56 3.993 -12.509 0.223 1.00 54.20 H new ATOM 0 HD12 ILE A 56 2.373 -13.202 -0.021 1.00 54.20 H new ATOM 0 HD13 ILE A 56 2.900 -11.807 -0.993 1.00 54.20 H new ATOM 912 N ARG A 57 -2.008 -11.430 1.829 1.00 10.50 N ATOM 913 CA ARG A 57 -3.444 -11.350 1.589 1.00 60.00 C ATOM 914 C ARG A 57 -4.127 -10.490 2.650 1.00 23.30 C ATOM 915 O ARG A 57 -4.964 -9.649 2.333 1.00 70.30 O ATOM 916 CB ARG A 57 -4.064 -12.750 1.574 1.00 42.20 C ATOM 917 CG ARG A 57 -5.240 -12.880 0.620 1.00 23.40 C ATOM 918 CD ARG A 57 -4.840 -13.590 -0.663 1.00 62.40 C ATOM 919 NE ARG A 57 -5.866 -13.470 -1.697 1.00 52.30 N ATOM 920 CZ ARG A 57 -5.945 -14.270 -2.758 1.00 32.20 C ATOM 921 NH1 ARG A 57 -5.061 -15.250 -2.930 1.00 33.40 N ATOM 922 NH2 ARG A 57 -6.910 -14.100 -3.650 1.00 74.20 N ATOM 0 H ARG A 57 -1.659 -12.378 1.970 1.00 10.50 H new ATOM 0 HA ARG A 57 -3.596 -10.885 0.615 1.00 60.00 H new ATOM 0 HB2 ARG A 57 -3.299 -13.475 1.296 1.00 42.20 H new ATOM 0 HB3 ARG A 57 -4.393 -13.004 2.581 1.00 42.20 H new ATOM 0 HG2 ARG A 57 -6.045 -13.431 1.106 1.00 23.40 H new ATOM 0 HG3 ARG A 57 -5.629 -11.890 0.383 1.00 23.40 H new ATOM 0 HD2 ARG A 57 -3.903 -13.172 -1.032 1.00 62.40 H new ATOM 0 HD3 ARG A 57 -4.658 -14.644 -0.453 1.00 62.40 H new ATOM 0 HE ARG A 57 -6.562 -12.730 -1.600 1.00 52.30 H new ATOM 0 HH11 ARG A 57 -4.317 -15.392 -2.247 1.00 33.40 H new ATOM 0 HH12 ARG A 57 -5.127 -15.859 -3.745 1.00 33.40 H new ATOM 0 HH21 ARG A 57 -7.595 -13.355 -3.525 1.00 74.20 H new ATOM 0 HH22 ARG A 57 -6.968 -14.715 -4.462 1.00 74.20 H new ATOM 936 N ALA A 58 -3.765 -10.710 3.909 1.00 44.20 N ATOM 937 CA ALA A 58 -4.345 -9.966 5.015 1.00 64.20 C ATOM 938 C ALA A 58 -3.847 -8.524 5.025 1.00 44.00 C ATOM 939 O ALA A 58 -4.551 -7.617 5.469 1.00 72.10 O ATOM 940 CB ALA A 58 -4.024 -10.640 6.338 1.00 1.33 C ATOM 0 H ALA A 58 -3.069 -11.402 4.187 1.00 44.20 H new ATOM 0 HA ALA A 58 -5.427 -9.954 4.880 1.00 64.20 H new ATOM 0 HB1 ALA A 58 -4.466 -10.069 7.154 1.00 1.33 H new ATOM 0 HB2 ALA A 58 -4.432 -11.651 6.340 1.00 1.33 H new ATOM 0 HB3 ALA A 58 -2.943 -10.685 6.471 1.00 1.33 H new ATOM 946 N LYS A 59 -2.629 -8.320 4.534 1.00 35.00 N ATOM 947 CA LYS A 59 -2.037 -6.987 4.490 1.00 43.30 C ATOM 948 C LYS A 59 -2.751 -6.105 3.469 1.00 55.20 C ATOM 949 O LYS A 59 -2.961 -4.914 3.703 1.00 40.00 O ATOM 950 CB LYS A 59 -0.547 -7.081 4.150 1.00 62.20 C ATOM 951 CG LYS A 59 0.362 -6.569 5.258 1.00 20.20 C ATOM 952 CD LYS A 59 1.178 -7.693 5.882 1.00 43.50 C ATOM 953 CE LYS A 59 2.650 -7.326 5.980 1.00 24.20 C ATOM 954 NZ LYS A 59 3.415 -7.769 4.782 1.00 11.40 N ATOM 0 H LYS A 59 -2.033 -9.059 4.161 1.00 35.00 H new ATOM 0 HA LYS A 59 -2.151 -6.533 5.474 1.00 43.30 H new ATOM 0 HB2 LYS A 59 -0.296 -8.120 3.936 1.00 62.20 H new ATOM 0 HB3 LYS A 59 -0.353 -6.513 3.240 1.00 62.20 H new ATOM 0 HG2 LYS A 59 1.034 -5.811 4.856 1.00 20.20 H new ATOM 0 HG3 LYS A 59 -0.239 -6.085 6.028 1.00 20.20 H new ATOM 0 HD2 LYS A 59 0.791 -7.916 6.876 1.00 43.50 H new ATOM 0 HD3 LYS A 59 1.067 -8.599 5.286 1.00 43.50 H new ATOM 0 HE2 LYS A 59 2.748 -6.246 6.094 1.00 24.20 H new ATOM 0 HE3 LYS A 59 3.079 -7.781 6.873 1.00 24.20 H new ATOM 0 HZ1 LYS A 59 4.414 -7.500 4.889 1.00 11.40 H new ATOM 0 HZ2 LYS A 59 3.343 -8.802 4.687 1.00 11.40 H new ATOM 0 HZ3 LYS A 59 3.023 -7.315 3.932 1.00 11.40 H new ATOM 968 N CYS A 60 -3.120 -6.695 2.338 1.00 13.20 N ATOM 969 CA CYS A 60 -3.808 -5.962 1.281 1.00 34.10 C ATOM 970 C CYS A 60 -5.186 -5.498 1.741 1.00 54.40 C ATOM 971 O CYS A 60 -5.666 -4.443 1.329 1.00 41.30 O ATOM 972 CB CYS A 60 -3.942 -6.834 0.031 1.00 63.20 C ATOM 973 SG CYS A 60 -2.375 -7.169 -0.807 1.00 11.50 S ATOM 0 H CYS A 60 -2.954 -7.680 2.129 1.00 13.20 H new ATOM 0 HA CYS A 60 -3.212 -5.081 1.041 1.00 34.10 H new ATOM 0 HB2 CYS A 60 -4.402 -7.782 0.310 1.00 63.20 H new ATOM 0 HB3 CYS A 60 -4.619 -6.345 -0.669 1.00 63.20 H new ATOM 0 HG CYS A 60 -1.675 -8.006 -0.100 1.00 11.50 H new ATOM 979 N VAL A 61 -5.818 -6.295 2.596 1.00 15.10 N ATOM 980 CA VAL A 61 -7.143 -5.966 3.110 1.00 74.10 C ATOM 981 C VAL A 61 -7.105 -4.711 3.976 1.00 15.10 C ATOM 982 O VAL A 61 -7.983 -3.853 3.881 1.00 74.30 O ATOM 983 CB VAL A 61 -7.730 -7.127 3.935 1.00 35.10 C ATOM 984 CG1 VAL A 61 -9.184 -6.850 4.289 1.00 25.50 C ATOM 985 CG2 VAL A 61 -7.598 -8.441 3.178 1.00 22.20 C ATOM 0 H VAL A 61 -5.435 -7.172 2.947 1.00 15.10 H new ATOM 0 HA VAL A 61 -7.780 -5.786 2.244 1.00 74.10 H new ATOM 0 HB VAL A 61 -7.165 -7.211 4.863 1.00 35.10 H new ATOM 0 HG11 VAL A 61 -9.581 -7.681 4.872 1.00 25.50 H new ATOM 0 HG12 VAL A 61 -9.248 -5.933 4.875 1.00 25.50 H new ATOM 0 HG13 VAL A 61 -9.766 -6.737 3.374 1.00 25.50 H new ATOM 0 HG21 VAL A 61 -8.018 -9.249 3.776 1.00 22.20 H new ATOM 0 HG22 VAL A 61 -8.136 -8.372 2.233 1.00 22.20 H new ATOM 0 HG23 VAL A 61 -6.545 -8.644 2.982 1.00 22.20 H new ATOM 995 N GLN A 62 -6.087 -4.612 4.823 1.00 15.40 N ATOM 996 CA GLN A 62 -5.937 -3.462 5.708 1.00 3.41 C ATOM 997 C GLN A 62 -5.453 -2.237 4.939 1.00 1.13 C ATOM 998 O GLN A 62 -5.780 -1.103 5.290 1.00 72.20 O ATOM 999 CB GLN A 62 -4.960 -3.787 6.840 1.00 31.00 C ATOM 1000 CG GLN A 62 -5.346 -3.167 8.173 1.00 72.30 C ATOM 1001 CD GLN A 62 -6.024 -4.156 9.101 1.00 3.22 C ATOM 1002 OE1 GLN A 62 -5.562 -5.285 9.270 1.00 42.40 O ATOM 1003 NE2 GLN A 62 -7.129 -3.736 9.707 1.00 14.50 N ATOM 0 H GLN A 62 -5.353 -5.314 4.916 1.00 15.40 H new ATOM 0 HA GLN A 62 -6.915 -3.236 6.133 1.00 3.41 H new ATOM 0 HB2 GLN A 62 -4.898 -4.869 6.956 1.00 31.00 H new ATOM 0 HB3 GLN A 62 -3.965 -3.439 6.561 1.00 31.00 H new ATOM 0 HG2 GLN A 62 -4.453 -2.772 8.658 1.00 72.30 H new ATOM 0 HG3 GLN A 62 -6.013 -2.323 7.997 1.00 72.30 H new ATOM 0 HE21 GLN A 62 -7.476 -2.792 9.538 1.00 14.50 H new ATOM 0 HE22 GLN A 62 -7.630 -4.358 10.342 1.00 14.50 H new ATOM 1012 N TYR A 63 -4.672 -2.473 3.890 1.00 22.10 N ATOM 1013 CA TYR A 63 -4.140 -1.387 3.074 1.00 30.20 C ATOM 1014 C TYR A 63 -5.242 -0.737 2.242 1.00 62.30 C ATOM 1015 O TYR A 63 -5.236 0.474 2.024 1.00 13.00 O ATOM 1016 CB TYR A 63 -3.032 -1.907 2.156 1.00 64.40 C ATOM 1017 CG TYR A 63 -1.722 -2.156 2.868 1.00 21.30 C ATOM 1018 CD1 TYR A 63 -1.211 -1.230 3.768 1.00 72.20 C ATOM 1019 CD2 TYR A 63 -0.997 -3.319 2.641 1.00 13.30 C ATOM 1020 CE1 TYR A 63 -0.015 -1.454 4.421 1.00 0.33 C ATOM 1021 CE2 TYR A 63 0.202 -3.550 3.290 1.00 54.20 C ATOM 1022 CZ TYR A 63 0.688 -2.616 4.178 1.00 52.20 C ATOM 1023 OH TYR A 63 1.881 -2.843 4.827 1.00 61.30 O ATOM 0 H TYR A 63 -4.393 -3.406 3.585 1.00 22.10 H new ATOM 0 HA TYR A 63 -3.725 -0.634 3.744 1.00 30.20 H new ATOM 0 HB2 TYR A 63 -3.364 -2.834 1.689 1.00 64.40 H new ATOM 0 HB3 TYR A 63 -2.869 -1.187 1.354 1.00 64.40 H new ATOM 0 HD1 TYR A 63 -1.758 -0.319 3.961 1.00 72.20 H new ATOM 0 HD2 TYR A 63 -1.376 -4.054 1.947 1.00 13.30 H new ATOM 0 HE1 TYR A 63 0.368 -0.723 5.118 1.00 0.33 H new ATOM 0 HE2 TYR A 63 0.755 -4.458 3.101 1.00 54.20 H new ATOM 0 HH TYR A 63 2.248 -3.707 4.545 1.00 61.30 H new ATOM 1033 N LEU A 64 -6.185 -1.550 1.777 1.00 5.32 N ATOM 1034 CA LEU A 64 -7.292 -1.054 0.968 1.00 44.40 C ATOM 1035 C LEU A 64 -8.296 -0.286 1.821 1.00 24.40 C ATOM 1036 O LEU A 64 -8.961 0.631 1.340 1.00 32.00 O ATOM 1037 CB LEU A 64 -7.992 -2.215 0.257 1.00 74.40 C ATOM 1038 CG LEU A 64 -7.295 -2.715 -1.009 1.00 54.40 C ATOM 1039 CD1 LEU A 64 -7.486 -4.214 -1.168 1.00 64.20 C ATOM 1040 CD2 LEU A 64 -7.819 -1.976 -2.231 1.00 1.31 C ATOM 0 H LEU A 64 -6.204 -2.556 1.947 1.00 5.32 H new ATOM 0 HA LEU A 64 -6.883 -0.372 0.223 1.00 44.40 H new ATOM 0 HB2 LEU A 64 -8.083 -3.047 0.956 1.00 74.40 H new ATOM 0 HB3 LEU A 64 -9.004 -1.905 -0.003 1.00 74.40 H new ATOM 0 HG LEU A 64 -6.228 -2.515 -0.917 1.00 54.40 H new ATOM 0 HD11 LEU A 64 -6.983 -4.551 -2.074 1.00 64.20 H new ATOM 0 HD12 LEU A 64 -7.062 -4.728 -0.305 1.00 64.20 H new ATOM 0 HD13 LEU A 64 -8.550 -4.440 -1.238 1.00 64.20 H new ATOM 0 HD21 LEU A 64 -7.313 -2.344 -3.123 1.00 1.31 H new ATOM 0 HD22 LEU A 64 -8.892 -2.145 -2.326 1.00 1.31 H new ATOM 0 HD23 LEU A 64 -7.629 -0.908 -2.120 1.00 1.31 H new ATOM 1052 N ASP A 65 -8.404 -0.667 3.090 1.00 2.14 N ATOM 1053 CA ASP A 65 -9.329 -0.015 4.009 1.00 21.50 C ATOM 1054 C ASP A 65 -8.814 1.361 4.421 1.00 44.30 C ATOM 1055 O ASP A 65 -9.597 2.272 4.690 1.00 11.10 O ATOM 1056 CB ASP A 65 -9.546 -0.883 5.250 1.00 51.40 C ATOM 1057 CG ASP A 65 -10.970 -0.836 5.745 1.00 54.10 C ATOM 1058 OD1 ASP A 65 -11.520 0.279 5.868 1.00 52.30 O ATOM 1059 OD2 ASP A 65 -11.550 -1.914 6.011 1.00 61.40 O ATOM 0 H ASP A 65 -7.862 -1.425 3.505 1.00 2.14 H new ATOM 0 HA ASP A 65 -10.280 0.114 3.493 1.00 21.50 H new ATOM 0 HB2 ASP A 65 -9.279 -1.914 5.020 1.00 51.40 H new ATOM 0 HB3 ASP A 65 -8.877 -0.550 6.044 1.00 51.40 H new ATOM 1064 N ARG A 66 -7.494 1.504 4.470 1.00 22.20 N ATOM 1065 CA ARG A 66 -6.876 2.768 4.854 1.00 60.30 C ATOM 1066 C ARG A 66 -6.904 3.764 3.698 1.00 51.20 C ATOM 1067 O ARG A 66 -7.001 4.973 3.909 1.00 51.10 O ATOM 1068 CB ARG A 66 -5.433 2.539 5.307 1.00 53.30 C ATOM 1069 CG ARG A 66 -4.959 3.533 6.354 1.00 64.30 C ATOM 1070 CD ARG A 66 -4.981 2.931 7.751 1.00 50.10 C ATOM 1071 NE ARG A 66 -6.113 3.414 8.538 1.00 31.40 N ATOM 1072 CZ ARG A 66 -7.343 2.905 8.463 1.00 30.50 C ATOM 1073 NH1 ARG A 66 -7.605 1.902 7.635 1.00 2.44 N ATOM 1074 NH2 ARG A 66 -8.311 3.402 9.219 1.00 25.40 N ATOM 0 H ARG A 66 -6.832 0.761 4.249 1.00 22.20 H new ATOM 0 HA ARG A 66 -7.449 3.184 5.683 1.00 60.30 H new ATOM 0 HB2 ARG A 66 -5.343 1.530 5.709 1.00 53.30 H new ATOM 0 HB3 ARG A 66 -4.775 2.596 4.440 1.00 53.30 H new ATOM 0 HG2 ARG A 66 -3.947 3.860 6.114 1.00 64.30 H new ATOM 0 HG3 ARG A 66 -5.594 4.419 6.329 1.00 64.30 H new ATOM 0 HD2 ARG A 66 -5.029 1.845 7.677 1.00 50.10 H new ATOM 0 HD3 ARG A 66 -4.052 3.175 8.265 1.00 50.10 H new ATOM 0 HE ARG A 66 -5.953 4.187 9.184 1.00 31.40 H new ATOM 0 HH11 ARG A 66 -6.863 1.516 7.051 1.00 2.44 H new ATOM 0 HH12 ARG A 66 -8.548 1.517 7.582 1.00 2.44 H new ATOM 0 HH21 ARG A 66 -8.115 4.173 9.857 1.00 25.40 H new ATOM 0 HH22 ARG A 66 -9.252 3.014 9.163 1.00 25.40 H new ATOM 1088 N ALA A 67 -6.817 3.249 2.476 1.00 71.30 N ATOM 1089 CA ALA A 67 -6.830 4.093 1.288 1.00 72.20 C ATOM 1090 C ALA A 67 -8.183 4.775 1.109 1.00 74.50 C ATOM 1091 O ALA A 67 -8.266 5.876 0.564 1.00 43.40 O ATOM 1092 CB ALA A 67 -6.484 3.272 0.055 1.00 34.00 C ATOM 0 H ALA A 67 -6.737 2.251 2.283 1.00 71.30 H new ATOM 0 HA ALA A 67 -6.077 4.870 1.418 1.00 72.20 H new ATOM 0 HB1 ALA A 67 -6.497 3.914 -0.825 1.00 34.00 H new ATOM 0 HB2 ALA A 67 -5.491 2.839 0.173 1.00 34.00 H new ATOM 0 HB3 ALA A 67 -7.216 2.473 -0.068 1.00 34.00 H new ATOM 1098 N GLU A 68 -9.240 4.115 1.570 1.00 14.30 N ATOM 1099 CA GLU A 68 -10.590 4.658 1.458 1.00 65.20 C ATOM 1100 C GLU A 68 -10.830 5.745 2.502 1.00 11.30 C ATOM 1101 O GLU A 68 -11.570 6.695 2.263 1.00 31.30 O ATOM 1102 CB GLU A 68 -11.620 3.544 1.616 1.00 33.00 C ATOM 1103 CG GLU A 68 -11.980 2.861 0.307 1.00 32.10 C ATOM 1104 CD GLU A 68 -13.460 2.989 -0.030 1.00 31.20 C ATOM 1105 OE1 GLU A 68 -13.920 4.127 -0.263 1.00 34.20 O ATOM 1106 OE2 GLU A 68 -14.150 1.951 -0.060 1.00 2.13 O ATOM 0 H GLU A 68 -9.189 3.203 2.025 1.00 14.30 H new ATOM 0 HA GLU A 68 -10.696 5.104 0.469 1.00 65.20 H new ATOM 0 HB2 GLU A 68 -11.234 2.799 2.311 1.00 33.00 H new ATOM 0 HB3 GLU A 68 -12.525 3.957 2.062 1.00 33.00 H new ATOM 0 HG2 GLU A 68 -11.388 3.294 -0.500 1.00 32.10 H new ATOM 0 HG3 GLU A 68 -11.714 1.806 0.366 1.00 32.10 H new ATOM 1113 N LYS A 69 -10.190 5.598 3.660 1.00 63.40 N ATOM 1114 CA LYS A 69 -10.340 6.566 4.741 1.00 13.40 C ATOM 1115 C LYS A 69 -9.596 7.859 4.424 1.00 45.50 C ATOM 1116 O LYS A 69 -9.994 8.939 4.859 1.00 63.30 O ATOM 1117 CB LYS A 69 -9.829 5.976 6.055 1.00 61.30 C ATOM 1118 CG LYS A 69 -10.500 6.560 7.288 1.00 71.30 C ATOM 1119 CD LYS A 69 -9.648 7.641 7.930 1.00 55.20 C ATOM 1120 CE LYS A 69 -10.140 7.982 9.327 1.00 42.40 C ATOM 1121 NZ LYS A 69 -9.150 8.801 10.081 1.00 4.44 N ATOM 0 H LYS A 69 -9.565 4.820 3.872 1.00 63.40 H new ATOM 0 HA LYS A 69 -11.400 6.797 4.843 1.00 13.40 H new ATOM 0 HB2 LYS A 69 -9.985 4.897 6.044 1.00 61.30 H new ATOM 0 HB3 LYS A 69 -8.754 6.142 6.124 1.00 61.30 H new ATOM 0 HG2 LYS A 69 -11.469 6.976 7.013 1.00 71.30 H new ATOM 0 HG3 LYS A 69 -10.687 5.766 8.011 1.00 71.30 H new ATOM 0 HD2 LYS A 69 -8.612 7.307 7.980 1.00 55.20 H new ATOM 0 HD3 LYS A 69 -9.665 8.536 7.308 1.00 55.20 H new ATOM 0 HE2 LYS A 69 -11.082 8.525 9.257 1.00 42.40 H new ATOM 0 HE3 LYS A 69 -10.342 7.062 9.875 1.00 42.40 H new ATOM 0 HZ1 LYS A 69 -9.524 9.012 11.028 1.00 4.44 H new ATOM 0 HZ2 LYS A 69 -8.259 8.273 10.170 1.00 4.44 H new ATOM 0 HZ3 LYS A 69 -8.976 9.691 9.572 1.00 4.44 H new ATOM 1135 N LEU A 70 -8.511 7.740 3.665 1.00 43.30 N ATOM 1136 CA LEU A 70 -7.708 8.900 3.292 1.00 62.10 C ATOM 1137 C LEU A 70 -8.456 9.788 2.302 1.00 61.40 C ATOM 1138 O LEU A 70 -8.341 11.013 2.342 1.00 4.13 O ATOM 1139 CB LEU A 70 -6.377 8.451 2.686 1.00 53.30 C ATOM 1140 CG LEU A 70 -5.476 7.647 3.625 1.00 72.40 C ATOM 1141 CD1 LEU A 70 -4.526 6.767 2.829 1.00 31.10 C ATOM 1142 CD2 LEU A 70 -4.700 8.578 4.544 1.00 65.00 C ATOM 0 H LEU A 70 -8.168 6.853 3.296 1.00 43.30 H new ATOM 0 HA LEU A 70 -7.513 9.479 4.195 1.00 62.10 H new ATOM 0 HB2 LEU A 70 -6.583 7.849 1.801 1.00 53.30 H new ATOM 0 HB3 LEU A 70 -5.832 9.333 2.351 1.00 53.30 H new ATOM 0 HG LEU A 70 -6.105 7.003 4.240 1.00 72.40 H new ATOM 0 HD11 LEU A 70 -3.893 6.203 3.514 1.00 31.10 H new ATOM 0 HD12 LEU A 70 -5.101 6.076 2.213 1.00 31.10 H new ATOM 0 HD13 LEU A 70 -3.902 7.391 2.189 1.00 31.10 H new ATOM 0 HD21 LEU A 70 -4.064 7.990 5.205 1.00 65.00 H new ATOM 0 HD22 LEU A 70 -4.081 9.247 3.946 1.00 65.00 H new ATOM 0 HD23 LEU A 70 -5.398 9.166 5.140 1.00 65.00 H new ATOM 1154 N LYS A 71 -9.220 9.163 1.412 1.00 41.10 N ATOM 1155 CA LYS A 71 -9.983 9.898 0.410 1.00 64.30 C ATOM 1156 C LYS A 71 -11.180 10.596 1.040 1.00 72.00 C ATOM 1157 O LYS A 71 -11.430 11.776 0.789 1.00 1.13 O ATOM 1158 CB LYS A 71 -10.450 8.953 -0.697 1.00 61.00 C ATOM 1159 CG LYS A 71 -10.450 9.588 -2.077 1.00 13.20 C ATOM 1160 CD LYS A 71 -10.750 8.565 -3.161 1.00 20.40 C ATOM 1161 CE LYS A 71 -10.170 8.985 -4.499 1.00 11.30 C ATOM 1162 NZ LYS A 71 -11.080 8.669 -5.629 1.00 42.40 N ATOM 0 H LYS A 71 -9.327 8.150 1.364 1.00 41.10 H new ATOM 0 HA LYS A 71 -9.332 10.658 -0.022 1.00 64.30 H new ATOM 0 HB2 LYS A 71 -9.805 8.075 -0.710 1.00 61.00 H new ATOM 0 HB3 LYS A 71 -11.457 8.605 -0.466 1.00 61.00 H new ATOM 0 HG2 LYS A 71 -11.193 10.385 -2.112 1.00 13.20 H new ATOM 0 HG3 LYS A 71 -9.480 10.047 -2.267 1.00 13.20 H new ATOM 0 HD2 LYS A 71 -10.339 7.597 -2.873 1.00 20.40 H new ATOM 0 HD3 LYS A 71 -11.829 8.438 -3.255 1.00 20.40 H new ATOM 0 HE2 LYS A 71 -9.969 10.056 -4.486 1.00 11.30 H new ATOM 0 HE3 LYS A 71 -9.215 8.483 -4.653 1.00 11.30 H new ATOM 0 HZ1 LYS A 71 -10.643 8.973 -6.522 1.00 42.40 H new ATOM 0 HZ2 LYS A 71 -11.253 7.644 -5.660 1.00 42.40 H new ATOM 0 HZ3 LYS A 71 -11.983 9.168 -5.498 1.00 42.40 H new ATOM 1176 N ASP A 72 -11.920 9.861 1.860 1.00 62.30 N ATOM 1177 CA ASP A 72 -13.100 10.410 2.526 1.00 55.10 C ATOM 1178 C ASP A 72 -12.730 11.614 3.387 1.00 4.42 C ATOM 1179 O ASP A 72 -13.550 12.512 3.598 1.00 14.10 O ATOM 1180 CB ASP A 72 -13.770 9.338 3.389 1.00 63.30 C ATOM 1181 CG ASP A 72 -14.870 8.604 2.649 1.00 33.40 C ATOM 1182 OD1 ASP A 72 -14.650 8.237 1.474 1.00 15.00 O ATOM 1183 OD2 ASP A 72 -15.950 8.395 3.243 1.00 31.40 O ATOM 0 H ASP A 72 -11.727 8.884 2.081 1.00 62.30 H new ATOM 0 HA ASP A 72 -13.800 10.738 1.757 1.00 55.10 H new ATOM 0 HB2 ASP A 72 -13.019 8.621 3.721 1.00 63.30 H new ATOM 0 HB3 ASP A 72 -14.185 9.803 4.283 1.00 63.30 H new ATOM 1188 N TYR A 73 -11.500 11.626 3.885 1.00 2.14 N ATOM 1189 CA TYR A 73 -11.020 12.718 4.726 1.00 31.30 C ATOM 1190 C TYR A 73 -10.690 13.950 3.890 1.00 52.50 C ATOM 1191 O TYR A 73 -11.130 15.057 4.194 1.00 22.10 O ATOM 1192 CB TYR A 73 -9.800 12.278 5.524 1.00 72.20 C ATOM 1193 CG TYR A 73 -9.270 13.343 6.457 1.00 23.00 C ATOM 1194 CD1 TYR A 73 -8.437 14.352 5.989 1.00 72.40 C ATOM 1195 CD2 TYR A 73 -9.603 13.339 7.806 1.00 24.10 C ATOM 1196 CE1 TYR A 73 -7.951 15.327 6.839 1.00 54.40 C ATOM 1197 CE2 TYR A 73 -9.121 14.311 8.662 1.00 72.10 C ATOM 1198 CZ TYR A 73 -8.296 15.302 8.174 1.00 54.50 C ATOM 1199 OH TYR A 73 -7.815 16.272 9.023 1.00 64.40 O ATOM 0 H TYR A 73 -10.814 10.890 3.721 1.00 2.14 H new ATOM 0 HA TYR A 73 -11.817 12.983 5.421 1.00 31.30 H new ATOM 0 HB2 TYR A 73 -10.057 11.393 6.106 1.00 72.20 H new ATOM 0 HB3 TYR A 73 -9.010 11.987 4.832 1.00 72.20 H new ATOM 0 HD1 TYR A 73 -8.165 14.374 4.944 1.00 72.40 H new ATOM 0 HD2 TYR A 73 -10.249 12.564 8.192 1.00 24.10 H new ATOM 0 HE1 TYR A 73 -7.304 16.105 6.460 1.00 54.40 H new ATOM 0 HE2 TYR A 73 -9.389 14.294 9.708 1.00 72.10 H new ATOM 0 HH TYR A 73 -8.153 16.111 9.929 1.00 64.40 H new ATOM 1209 N LEU A 74 -9.907 13.749 2.837 1.00 33.30 N ATOM 1210 CA LEU A 74 -9.511 14.846 1.960 1.00 24.30 C ATOM 1211 C LEU A 74 -10.690 15.346 1.140 1.00 74.30 C ATOM 1212 O LEU A 74 -10.830 16.544 0.891 1.00 4.34 O ATOM 1213 CB LEU A 74 -8.380 14.402 1.029 1.00 74.30 C ATOM 1214 CG LEU A 74 -8.704 13.199 0.143 1.00 2.13 C ATOM 1215 CD1 LEU A 74 -9.490 13.634 -1.087 1.00 2.41 C ATOM 1216 CD2 LEU A 74 -7.425 12.480 -0.263 1.00 14.50 C ATOM 0 H LEU A 74 -9.534 12.838 2.569 1.00 33.30 H new ATOM 0 HA LEU A 74 -9.158 15.664 2.587 1.00 24.30 H new ATOM 0 HB2 LEU A 74 -8.106 15.241 0.390 1.00 74.30 H new ATOM 0 HB3 LEU A 74 -7.505 14.163 1.634 1.00 74.30 H new ATOM 0 HG LEU A 74 -9.323 12.506 0.714 1.00 2.13 H new ATOM 0 HD11 LEU A 74 -9.711 12.763 -1.704 1.00 2.41 H new ATOM 0 HD12 LEU A 74 -10.423 14.104 -0.775 1.00 2.41 H new ATOM 0 HD13 LEU A 74 -8.900 14.347 -1.663 1.00 2.41 H new ATOM 0 HD21 LEU A 74 -7.672 11.626 -0.893 1.00 14.50 H new ATOM 0 HD22 LEU A 74 -6.782 13.165 -0.816 1.00 14.50 H new ATOM 0 HD23 LEU A 74 -6.904 12.133 0.629 1.00 14.50 H new ATOM 1228 N ARG A 75 -11.550 14.422 0.721 1.00 41.40 N ATOM 1229 CA ARG A 75 -12.720 14.771 -0.071 1.00 21.40 C ATOM 1230 C ARG A 75 -13.770 15.468 0.788 1.00 32.40 C ATOM 1231 O ARG A 75 -14.530 16.311 0.302 1.00 32.20 O ATOM 1232 CB ARG A 75 -13.320 13.521 -0.717 1.00 12.40 C ATOM 1233 CG ARG A 75 -14.000 13.791 -2.053 1.00 30.20 C ATOM 1234 CD ARG A 75 -14.770 12.579 -2.540 1.00 14.20 C ATOM 1235 NE ARG A 75 -14.730 12.448 -3.995 1.00 25.00 N ATOM 1236 CZ ARG A 75 -15.580 11.716 -4.702 1.00 51.40 C ATOM 1237 NH1 ARG A 75 -16.560 11.048 -4.092 1.00 0.23 N ATOM 1238 NH2 ARG A 75 -15.470 11.654 -6.021 1.00 55.50 N ATOM 0 H ARG A 75 -11.456 13.426 0.918 1.00 41.40 H new ATOM 0 HA ARG A 75 -12.403 15.458 -0.856 1.00 21.40 H new ATOM 0 HB2 ARG A 75 -12.531 12.783 -0.863 1.00 12.40 H new ATOM 0 HB3 ARG A 75 -14.045 13.081 -0.032 1.00 12.40 H new ATOM 0 HG2 ARG A 75 -14.679 14.638 -1.952 1.00 30.20 H new ATOM 0 HG3 ARG A 75 -13.251 14.069 -2.794 1.00 30.20 H new ATOM 0 HD2 ARG A 75 -14.355 11.680 -2.084 1.00 14.20 H new ATOM 0 HD3 ARG A 75 -15.807 12.653 -2.212 1.00 14.20 H new ATOM 0 HE ARG A 75 -14.001 12.952 -4.499 1.00 25.00 H new ATOM 0 HH11 ARG A 75 -16.658 11.099 -3.078 1.00 0.23 H new ATOM 0 HH12 ARG A 75 -17.212 10.486 -4.640 1.00 0.23 H new ATOM 0 HH21 ARG A 75 -14.730 12.170 -6.496 1.00 55.50 H new ATOM 0 HH22 ARG A 75 -16.126 11.090 -6.561 1.00 55.50 H new ATOM 1252 N SER A 76 -13.820 15.108 2.067 1.00 15.30 N ATOM 1253 CA SER A 76 -14.780 15.699 2.993 1.00 10.10 C ATOM 1254 C SER A 76 -14.450 17.164 3.257 1.00 1.41 C ATOM 1255 O SER A 76 -15.310 18.036 3.145 1.00 52.50 O ATOM 1256 CB SER A 76 -14.790 14.920 4.309 1.00 1.12 C ATOM 1257 OG SER A 76 -15.690 13.824 4.244 1.00 63.50 O ATOM 0 H SER A 76 -13.206 14.409 2.486 1.00 15.30 H new ATOM 0 HA SER A 76 -15.769 15.646 2.538 1.00 10.10 H new ATOM 0 HB2 SER A 76 -13.786 14.558 4.529 1.00 1.12 H new ATOM 0 HB3 SER A 76 -15.076 15.582 5.126 1.00 1.12 H new ATOM 0 HG SER A 76 -15.230 13.045 3.869 1.00 63.50 H new ATOM 1263 N LYS A 77 -13.190 17.428 3.610 1.00 44.40 N ATOM 1264 CA LYS A 77 -12.750 18.789 3.890 1.00 15.10 C ATOM 1265 C LYS A 77 -12.640 19.601 2.604 1.00 51.10 C ATOM 1266 O LYS A 77 -12.990 20.798 2.629 1.00 13.00 O ATOM 1267 CB LYS A 77 -11.400 18.768 4.612 1.00 71.50 C ATOM 1268 CG LYS A 77 -10.310 18.033 3.845 1.00 41.50 C ATOM 1269 CD LYS A 77 -9.019 18.830 3.809 1.00 13.30 C ATOM 1270 CE LYS A 77 -7.808 17.919 3.680 1.00 63.10 C ATOM 1271 NZ LYS A 77 -6.652 18.415 4.477 1.00 14.30 N ATOM 1272 OXT LYS A 77 -12.200 19.032 1.582 1.00 36.80 O ATOM 0 H LYS A 77 -12.463 16.719 3.707 1.00 44.40 H new ATOM 0 HA LYS A 77 -13.493 19.262 4.532 1.00 15.10 H new ATOM 0 HB2 LYS A 77 -11.078 19.794 4.792 1.00 71.50 H new ATOM 0 HB3 LYS A 77 -11.526 18.298 5.587 1.00 71.50 H new ATOM 0 HG2 LYS A 77 -10.127 17.064 4.310 1.00 41.50 H new ATOM 0 HG3 LYS A 77 -10.648 17.840 2.827 1.00 41.50 H new ATOM 0 HD2 LYS A 77 -9.043 19.527 2.971 1.00 13.30 H new ATOM 0 HD3 LYS A 77 -8.932 19.427 4.717 1.00 13.30 H new ATOM 0 HE2 LYS A 77 -8.073 16.915 4.011 1.00 63.10 H new ATOM 0 HE3 LYS A 77 -7.520 17.844 2.631 1.00 63.10 H new ATOM 0 HZ1 LYS A 77 -5.847 17.766 4.362 1.00 14.30 H new ATOM 0 HZ2 LYS A 77 -6.383 19.363 4.145 1.00 14.30 H new ATOM 0 HZ3 LYS A 77 -6.918 18.463 5.481 1.00 14.30 H new TER 1286 LYS A 77