USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 155:sc= -0.0949 (180deg=-0.521) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0232) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -45:sc= 1.05 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -163:sc= -1.14 USER MOD Single : A 18 TYR OH : rot 152:sc= -0.143 USER MOD Single : A 24 MET CE :methyl 163:sc= -3.32! (180deg=-6.21!) USER MOD Single : A 28 ASN : amide:sc= -0.62 K(o=-0.62,f=-0.04) USER MOD Single : A 38 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.3) USER MOD Single : A 40 GLN : amide:sc= -3.88! C(o=-3.9!,f=-5.7!) USER MOD Single : A 52 THR OG1 : rot -160:sc= -0.125 USER MOD Single : A 69 TYR OH : rot 73:sc= 0.0378 USER MOD Single : A 78 ASN : amide:sc= -0.916 X(o=-0.92,f=-0.96) USER MOD Single : A 80 GLN : amide:sc= -3.81 K(o=-3.8,f=-6.6!) USER MOD Single : A 83 MET CE :methyl -154:sc= -2.54 (180deg=-5.99!) USER MOD Single : A 89 LYS NZ :NH3+ 148:sc=-0.00175 (180deg=-0.787!) USER MOD Single : A 93 SER OG : rot 22:sc= 0.974 USER MOD Single : A 94 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-4.3!) USER MOD Single : A 102 HIS : no HD1:sc= -6.9! C(o=-6.9!,f=-8.3!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 194.305 -10.456 9.588 1.00 0.00 N ATOM 2 CA MET A 1 193.991 -10.803 10.999 1.00 0.00 C ATOM 3 C MET A 1 192.488 -10.751 11.258 1.00 0.00 C ATOM 4 O MET A 1 191.927 -11.639 11.899 1.00 0.00 O ATOM 5 CB MET A 1 194.723 -9.820 11.916 1.00 0.00 C ATOM 6 CG MET A 1 195.679 -10.492 12.889 1.00 0.00 C ATOM 7 SD MET A 1 197.410 -10.257 12.440 1.00 0.00 S ATOM 8 CE MET A 1 197.585 -8.489 12.674 1.00 0.00 C ATOM 0 H1 MET A 1 195.326 -10.565 9.423 1.00 0.00 H new ATOM 0 H2 MET A 1 193.781 -11.089 8.950 1.00 0.00 H new ATOM 0 H3 MET A 1 194.028 -9.471 9.403 1.00 0.00 H new ATOM 0 HA MET A 1 194.322 -11.822 11.201 1.00 0.00 H new ATOM 0 HB2 MET A 1 195.280 -9.111 11.304 1.00 0.00 H new ATOM 0 HB3 MET A 1 193.988 -9.246 12.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 195.511 -10.095 13.890 1.00 0.00 H new ATOM 0 HG3 MET A 1 195.460 -11.559 12.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 198.629 -8.250 12.875 1.00 0.00 H new ATOM 0 HE2 MET A 1 197.261 -7.969 11.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 196.971 -8.171 13.517 1.00 0.00 H new ATOM 18 N THR A 2 191.843 -9.704 10.755 1.00 0.00 N ATOM 19 CA THR A 2 190.405 -9.533 10.930 1.00 0.00 C ATOM 20 C THR A 2 189.633 -10.353 9.892 1.00 0.00 C ATOM 21 O THR A 2 188.853 -9.815 9.107 1.00 0.00 O ATOM 22 CB THR A 2 190.035 -8.032 10.837 1.00 0.00 C ATOM 23 OG1 THR A 2 188.782 -7.788 11.451 1.00 0.00 O ATOM 24 CG2 THR A 2 189.954 -7.510 9.416 1.00 0.00 C ATOM 0 H THR A 2 192.294 -8.960 10.222 1.00 0.00 H new ATOM 0 HA THR A 2 190.125 -9.898 11.918 1.00 0.00 H new ATOM 0 HB THR A 2 190.842 -7.509 11.350 1.00 0.00 H new ATOM 0 HG1 THR A 2 188.565 -6.835 11.384 1.00 0.00 H new ATOM 0 HG21 THR A 2 189.691 -6.452 9.431 1.00 0.00 H new ATOM 0 HG22 THR A 2 190.920 -7.636 8.926 1.00 0.00 H new ATOM 0 HG23 THR A 2 189.194 -8.065 8.867 1.00 0.00 H new ATOM 32 N THR A 3 189.853 -11.664 9.904 1.00 0.00 N ATOM 33 CA THR A 3 189.179 -12.562 8.972 1.00 0.00 C ATOM 34 C THR A 3 189.524 -12.203 7.529 1.00 0.00 C ATOM 35 O THR A 3 190.400 -11.377 7.277 1.00 0.00 O ATOM 36 CB THR A 3 187.657 -12.509 9.173 1.00 0.00 C ATOM 37 OG1 THR A 3 187.091 -11.440 8.435 1.00 0.00 O ATOM 38 CG2 THR A 3 187.232 -12.337 10.620 1.00 0.00 C ATOM 0 H THR A 3 190.493 -12.128 10.549 1.00 0.00 H new ATOM 0 HA THR A 3 189.526 -13.576 9.173 1.00 0.00 H new ATOM 0 HB THR A 3 187.296 -13.476 8.823 1.00 0.00 H new ATOM 0 HG1 THR A 3 187.632 -10.633 8.562 1.00 0.00 H new ATOM 0 HG21 THR A 3 186.144 -12.309 10.679 1.00 0.00 H new ATOM 0 HG22 THR A 3 187.606 -13.173 11.211 1.00 0.00 H new ATOM 0 HG23 THR A 3 187.641 -11.405 11.011 1.00 0.00 H new ATOM 46 N GLU A 4 188.829 -12.832 6.587 1.00 0.00 N ATOM 47 CA GLU A 4 189.061 -12.581 5.169 1.00 0.00 C ATOM 48 C GLU A 4 187.749 -12.606 4.391 1.00 0.00 C ATOM 49 O GLU A 4 187.253 -13.671 4.025 1.00 0.00 O ATOM 50 CB GLU A 4 190.027 -13.620 4.596 1.00 0.00 C ATOM 51 CG GLU A 4 189.590 -15.056 4.840 1.00 0.00 C ATOM 52 CD GLU A 4 189.620 -15.897 3.578 1.00 0.00 C ATOM 53 OE1 GLU A 4 190.730 -16.220 3.106 1.00 0.00 O ATOM 54 OE2 GLU A 4 188.533 -16.234 3.064 1.00 0.00 O ATOM 0 H GLU A 4 188.100 -13.519 6.780 1.00 0.00 H new ATOM 0 HA GLU A 4 189.504 -11.590 5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 4 190.128 -13.457 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 4 191.013 -13.469 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 4 190.241 -15.508 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 4 188.580 -15.060 5.251 1.00 0.00 H new ATOM 61 N ILE A 5 187.193 -11.425 4.142 1.00 0.00 N ATOM 62 CA ILE A 5 185.938 -11.309 3.408 1.00 0.00 C ATOM 63 C ILE A 5 186.083 -10.339 2.240 1.00 0.00 C ATOM 64 O ILE A 5 187.045 -9.574 2.174 1.00 0.00 O ATOM 65 CB ILE A 5 184.782 -10.827 4.316 1.00 0.00 C ATOM 66 CG1 ILE A 5 184.899 -11.413 5.730 1.00 0.00 C ATOM 67 CG2 ILE A 5 183.440 -11.198 3.702 1.00 0.00 C ATOM 68 CD1 ILE A 5 184.535 -10.427 6.818 1.00 0.00 C ATOM 0 H ILE A 5 187.592 -10.534 4.438 1.00 0.00 H new ATOM 0 HA ILE A 5 185.699 -12.305 3.036 1.00 0.00 H new ATOM 0 HB ILE A 5 184.850 -9.742 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 5 184.251 -12.286 5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 5 185.920 -11.759 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 5 182.635 -10.853 4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 5 183.345 -10.727 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 5 183.378 -12.281 3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 5 184.639 -10.905 7.792 1.00 0.00 H new ATOM 0 HD12 ILE A 5 185.199 -9.564 6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 5 183.504 -10.100 6.683 1.00 0.00 H new ATOM 80 N LYS A 6 185.124 -10.376 1.321 1.00 0.00 N ATOM 81 CA LYS A 6 185.149 -9.498 0.157 1.00 0.00 C ATOM 82 C LYS A 6 184.433 -8.185 0.454 1.00 0.00 C ATOM 83 O LYS A 6 183.941 -7.973 1.563 1.00 0.00 O ATOM 84 CB LYS A 6 184.502 -10.191 -1.045 1.00 0.00 C ATOM 85 CG LYS A 6 185.332 -10.105 -2.316 1.00 0.00 C ATOM 86 CD LYS A 6 185.249 -11.390 -3.124 1.00 0.00 C ATOM 87 CE LYS A 6 185.605 -11.154 -4.583 1.00 0.00 C ATOM 88 NZ LYS A 6 187.064 -11.315 -4.833 1.00 0.00 N ATOM 0 H LYS A 6 184.321 -11.004 1.360 1.00 0.00 H new ATOM 0 HA LYS A 6 186.189 -9.276 -0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 6 184.333 -11.240 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 6 183.525 -9.745 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 6 184.984 -9.269 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 6 186.372 -9.902 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 6 185.924 -12.133 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 6 184.241 -11.800 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 6 185.050 -11.853 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 6 185.296 -10.150 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 187.265 -11.146 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 187.593 -10.631 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 187.355 -12.281 -4.580 1.00 0.00 H new ATOM 102 N LYS A 7 184.380 -7.303 -0.539 1.00 0.00 N ATOM 103 CA LYS A 7 183.726 -6.011 -0.374 1.00 0.00 C ATOM 104 C LYS A 7 182.849 -5.680 -1.579 1.00 0.00 C ATOM 105 O LYS A 7 182.880 -6.376 -2.594 1.00 0.00 O ATOM 106 CB LYS A 7 184.770 -4.911 -0.173 1.00 0.00 C ATOM 107 CG LYS A 7 185.236 -4.772 1.268 1.00 0.00 C ATOM 108 CD LYS A 7 184.757 -3.468 1.888 1.00 0.00 C ATOM 109 CE LYS A 7 185.826 -2.844 2.770 1.00 0.00 C ATOM 110 NZ LYS A 7 185.551 -1.406 3.044 1.00 0.00 N ATOM 0 H LYS A 7 184.781 -7.459 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 7 183.089 -6.068 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 7 185.632 -5.119 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 7 184.353 -3.960 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 7 184.864 -5.612 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 7 186.325 -4.815 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 7 184.481 -2.769 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 7 183.859 -3.653 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 7 185.882 -3.389 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 7 186.798 -2.942 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 186.303 -1.018 3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 185.522 -0.881 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 184.635 -1.314 3.528 1.00 0.00 H new ATOM 124 N LEU A 8 182.067 -4.612 -1.455 1.00 0.00 N ATOM 125 CA LEU A 8 181.178 -4.180 -2.526 1.00 0.00 C ATOM 126 C LEU A 8 181.482 -2.744 -2.940 1.00 0.00 C ATOM 127 O LEU A 8 182.083 -1.983 -2.182 1.00 0.00 O ATOM 128 CB LEU A 8 179.718 -4.298 -2.077 1.00 0.00 C ATOM 129 CG LEU A 8 178.908 -5.371 -2.800 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.658 -5.721 -2.007 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.542 -4.907 -4.202 1.00 0.00 C ATOM 0 H LEU A 8 182.032 -4.028 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 8 181.342 -4.827 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.698 -4.507 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.229 -3.335 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 8 179.521 -6.268 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.093 -6.487 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 8 177.944 -6.096 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 8 177.040 -4.831 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 8 177.965 -5.684 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 8 177.947 -3.996 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.452 -4.708 -4.769 1.00 0.00 H new ATOM 143 N ASP A 9 181.061 -2.378 -4.147 1.00 0.00 N ATOM 144 CA ASP A 9 181.285 -1.032 -4.659 1.00 0.00 C ATOM 145 C ASP A 9 180.051 -0.159 -4.442 1.00 0.00 C ATOM 146 O ASP A 9 178.940 -0.669 -4.290 1.00 0.00 O ATOM 147 CB ASP A 9 181.638 -1.081 -6.147 1.00 0.00 C ATOM 148 CG ASP A 9 183.133 -1.007 -6.390 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.686 0.112 -6.344 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.749 -2.067 -6.625 1.00 0.00 O ATOM 0 H ASP A 9 180.563 -2.995 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 9 182.120 -0.594 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.248 -2.002 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.148 -0.254 -6.661 1.00 0.00 H new ATOM 155 N PRO A 10 180.228 1.173 -4.424 1.00 0.00 N ATOM 156 CA PRO A 10 179.120 2.114 -4.225 1.00 0.00 C ATOM 157 C PRO A 10 178.053 1.985 -5.307 1.00 0.00 C ATOM 158 O PRO A 10 176.865 1.870 -5.010 1.00 0.00 O ATOM 159 CB PRO A 10 179.792 3.493 -4.295 1.00 0.00 C ATOM 160 CG PRO A 10 181.098 3.257 -4.976 1.00 0.00 C ATOM 161 CD PRO A 10 181.514 1.866 -4.598 1.00 0.00 C ATOM 0 HA PRO A 10 178.599 1.932 -3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.180 4.202 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.937 3.911 -3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 10 180.998 3.354 -6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.842 3.987 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.121 1.401 -5.375 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.105 1.856 -3.682 1.00 0.00 H new ATOM 169 N ASP A 11 178.487 2.007 -6.562 1.00 0.00 N ATOM 170 CA ASP A 11 177.571 1.893 -7.691 1.00 0.00 C ATOM 171 C ASP A 11 176.911 0.518 -7.724 1.00 0.00 C ATOM 172 O ASP A 11 175.781 0.372 -8.190 1.00 0.00 O ATOM 173 CB ASP A 11 178.314 2.145 -9.004 1.00 0.00 C ATOM 174 CG ASP A 11 179.532 1.256 -9.158 1.00 0.00 C ATOM 175 OD1 ASP A 11 180.461 1.373 -8.332 1.00 0.00 O ATOM 176 OD2 ASP A 11 179.556 0.442 -10.105 1.00 0.00 O ATOM 0 H ASP A 11 179.468 2.103 -6.824 1.00 0.00 H new ATOM 0 HA ASP A 11 176.792 2.646 -7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 11 177.636 1.976 -9.840 1.00 0.00 H new ATOM 0 HB3 ASP A 11 178.622 3.190 -9.050 1.00 0.00 H new ATOM 181 N THR A 12 177.625 -0.489 -7.230 1.00 0.00 N ATOM 182 CA THR A 12 177.109 -1.853 -7.207 1.00 0.00 C ATOM 183 C THR A 12 175.956 -1.987 -6.218 1.00 0.00 C ATOM 184 O THR A 12 174.904 -2.535 -6.547 1.00 0.00 O ATOM 185 CB THR A 12 178.223 -2.837 -6.848 1.00 0.00 C ATOM 186 OG1 THR A 12 179.385 -2.580 -7.617 1.00 0.00 O ATOM 187 CG2 THR A 12 177.836 -4.283 -7.068 1.00 0.00 C ATOM 0 H THR A 12 178.562 -0.386 -6.840 1.00 0.00 H new ATOM 0 HA THR A 12 176.734 -2.087 -8.203 1.00 0.00 H new ATOM 0 HB THR A 12 178.412 -2.686 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 12 179.980 -3.358 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 12 178.670 -4.929 -6.794 1.00 0.00 H new ATOM 0 HG22 THR A 12 176.971 -4.526 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.587 -4.437 -8.118 1.00 0.00 H new ATOM 195 N ALA A 13 176.158 -1.481 -5.005 1.00 0.00 N ATOM 196 CA ALA A 13 175.131 -1.545 -3.972 1.00 0.00 C ATOM 197 C ALA A 13 173.886 -0.769 -4.388 1.00 0.00 C ATOM 198 O ALA A 13 172.765 -1.259 -4.257 1.00 0.00 O ATOM 199 CB ALA A 13 175.672 -1.009 -2.655 1.00 0.00 C ATOM 0 H ALA A 13 177.022 -1.023 -4.714 1.00 0.00 H new ATOM 0 HA ALA A 13 174.850 -2.590 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 13 174.894 -1.063 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 13 176.528 -1.607 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 13 175.982 0.028 -2.784 1.00 0.00 H new ATOM 205 N ILE A 14 174.089 0.443 -4.890 1.00 0.00 N ATOM 206 CA ILE A 14 172.983 1.286 -5.326 1.00 0.00 C ATOM 207 C ILE A 14 172.222 0.639 -6.481 1.00 0.00 C ATOM 208 O ILE A 14 170.993 0.675 -6.528 1.00 0.00 O ATOM 209 CB ILE A 14 173.484 2.679 -5.764 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.133 3.404 -4.584 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.342 3.506 -6.338 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.124 4.469 -5.001 1.00 0.00 C ATOM 0 H ILE A 14 175.011 0.864 -5.005 1.00 0.00 H new ATOM 0 HA ILE A 14 172.311 1.401 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 14 174.233 2.547 -6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.353 3.863 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 14 174.640 2.674 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.717 4.484 -6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.922 2.995 -7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.568 3.632 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.545 4.942 -4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.924 4.013 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.617 5.220 -5.606 1.00 0.00 H new ATOM 224 N ASP A 15 172.965 0.048 -7.410 1.00 0.00 N ATOM 225 CA ASP A 15 172.366 -0.608 -8.567 1.00 0.00 C ATOM 226 C ASP A 15 171.496 -1.786 -8.139 1.00 0.00 C ATOM 227 O ASP A 15 170.327 -1.881 -8.522 1.00 0.00 O ATOM 228 CB ASP A 15 173.457 -1.086 -9.528 1.00 0.00 C ATOM 229 CG ASP A 15 173.726 -0.090 -10.639 1.00 0.00 C ATOM 230 OD1 ASP A 15 174.148 1.044 -10.330 1.00 0.00 O ATOM 231 OD2 ASP A 15 173.512 -0.444 -11.817 1.00 0.00 O ATOM 0 H ASP A 15 173.984 0.010 -7.385 1.00 0.00 H new ATOM 0 HA ASP A 15 171.733 0.118 -9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.377 -1.261 -8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.161 -2.041 -9.963 1.00 0.00 H new ATOM 236 N ILE A 16 172.067 -2.678 -7.336 1.00 0.00 N ATOM 237 CA ILE A 16 171.336 -3.843 -6.854 1.00 0.00 C ATOM 238 C ILE A 16 170.273 -3.437 -5.841 1.00 0.00 C ATOM 239 O ILE A 16 169.168 -3.977 -5.839 1.00 0.00 O ATOM 240 CB ILE A 16 172.276 -4.887 -6.216 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.191 -4.232 -5.178 1.00 0.00 C ATOM 242 CG2 ILE A 16 173.099 -5.584 -7.290 1.00 0.00 C ATOM 243 CD1 ILE A 16 172.856 -4.612 -3.752 1.00 0.00 C ATOM 0 H ILE A 16 173.030 -2.616 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 16 170.856 -4.295 -7.722 1.00 0.00 H new ATOM 0 HB ILE A 16 171.666 -5.633 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 16 174.223 -4.512 -5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.127 -3.149 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 16 173.757 -6.318 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 16 172.432 -6.087 -7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 16 173.698 -4.847 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 16 173.544 -4.112 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 16 171.835 -4.307 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 16 172.948 -5.692 -3.632 1.00 0.00 H new ATOM 255 N ALA A 17 170.609 -2.476 -4.986 1.00 0.00 N ATOM 256 CA ALA A 17 169.674 -1.996 -3.976 1.00 0.00 C ATOM 257 C ALA A 17 168.439 -1.393 -4.633 1.00 0.00 C ATOM 258 O ALA A 17 167.314 -1.615 -4.186 1.00 0.00 O ATOM 259 CB ALA A 17 170.344 -0.976 -3.069 1.00 0.00 C ATOM 0 H ALA A 17 171.519 -2.016 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 17 169.361 -2.845 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.630 -0.629 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 17 171.196 -1.437 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.686 -0.129 -3.664 1.00 0.00 H new ATOM 265 N TYR A 18 168.656 -0.637 -5.705 1.00 0.00 N ATOM 266 CA TYR A 18 167.560 -0.012 -6.432 1.00 0.00 C ATOM 267 C TYR A 18 166.616 -1.076 -6.979 1.00 0.00 C ATOM 268 O TYR A 18 165.395 -0.972 -6.842 1.00 0.00 O ATOM 269 CB TYR A 18 168.100 0.848 -7.576 1.00 0.00 C ATOM 270 CG TYR A 18 167.091 1.833 -8.124 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.065 1.412 -8.961 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.164 3.182 -7.803 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.141 2.308 -9.463 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.243 4.085 -8.302 1.00 0.00 C ATOM 275 CZ TYR A 18 165.235 3.642 -9.131 1.00 0.00 C ATOM 276 OH TYR A 18 164.316 4.538 -9.629 1.00 0.00 O ATOM 0 H TYR A 18 169.581 -0.443 -6.088 1.00 0.00 H new ATOM 0 HA TYR A 18 167.009 0.629 -5.743 1.00 0.00 H new ATOM 0 HB2 TYR A 18 168.975 1.395 -7.226 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.433 0.196 -8.383 1.00 0.00 H new ATOM 0 HD1 TYR A 18 165.989 0.367 -9.223 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.953 3.532 -7.153 1.00 0.00 H new ATOM 0 HE1 TYR A 18 164.349 1.965 -10.112 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.313 5.131 -8.044 1.00 0.00 H new ATOM 0 HH TYR A 18 164.220 5.288 -9.006 1.00 0.00 H new ATOM 286 N ASP A 19 167.193 -2.109 -7.586 1.00 0.00 N ATOM 287 CA ASP A 19 166.404 -3.202 -8.139 1.00 0.00 C ATOM 288 C ASP A 19 165.610 -3.890 -7.035 1.00 0.00 C ATOM 289 O ASP A 19 164.485 -4.342 -7.250 1.00 0.00 O ATOM 290 CB ASP A 19 167.312 -4.214 -8.840 1.00 0.00 C ATOM 291 CG ASP A 19 167.551 -3.865 -10.296 1.00 0.00 C ATOM 292 OD1 ASP A 19 168.292 -2.895 -10.561 1.00 0.00 O ATOM 293 OD2 ASP A 19 166.996 -4.561 -11.172 1.00 0.00 O ATOM 0 H ASP A 19 168.201 -2.211 -7.707 1.00 0.00 H new ATOM 0 HA ASP A 19 165.708 -2.791 -8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.268 -4.262 -8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 19 166.864 -5.206 -8.776 1.00 0.00 H new ATOM 298 N ILE A 20 166.203 -3.953 -5.846 1.00 0.00 N ATOM 299 CA ILE A 20 165.554 -4.572 -4.699 1.00 0.00 C ATOM 300 C ILE A 20 164.342 -3.757 -4.263 1.00 0.00 C ATOM 301 O ILE A 20 163.264 -4.306 -4.035 1.00 0.00 O ATOM 302 CB ILE A 20 166.533 -4.718 -3.510 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.663 -5.686 -3.862 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.802 -5.192 -2.262 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.896 -5.506 -3.003 1.00 0.00 C ATOM 0 H ILE A 20 167.133 -3.582 -5.654 1.00 0.00 H new ATOM 0 HA ILE A 20 165.228 -5.566 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 20 166.964 -3.738 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 20 167.302 -6.709 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.935 -5.550 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 20 166.511 -5.287 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 20 165.031 -4.469 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 20 165.340 -6.160 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.658 -6.224 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 20 169.281 -4.494 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.638 -5.670 -1.957 1.00 0.00 H new ATOM 317 N PHE A 21 164.517 -2.444 -4.159 1.00 0.00 N ATOM 318 CA PHE A 21 163.436 -1.552 -3.759 1.00 0.00 C ATOM 319 C PHE A 21 162.194 -1.783 -4.613 1.00 0.00 C ATOM 320 O PHE A 21 161.118 -2.068 -4.094 1.00 0.00 O ATOM 321 CB PHE A 21 163.901 -0.098 -3.882 1.00 0.00 C ATOM 322 CG PHE A 21 162.851 0.919 -3.534 1.00 0.00 C ATOM 323 CD1 PHE A 21 162.104 0.802 -2.373 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.618 2.000 -4.369 1.00 0.00 C ATOM 325 CE1 PHE A 21 161.146 1.745 -2.051 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.660 2.944 -4.054 1.00 0.00 C ATOM 327 CZ PHE A 21 160.923 2.817 -2.893 1.00 0.00 C ATOM 0 H PHE A 21 165.402 -1.973 -4.347 1.00 0.00 H new ATOM 0 HA PHE A 21 163.174 -1.763 -2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.764 0.051 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.237 0.079 -4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 21 162.272 -0.035 -1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.193 2.106 -5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 21 160.572 1.644 -1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.488 3.781 -4.715 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.174 3.554 -2.644 1.00 0.00 H new ATOM 337 N LEU A 22 162.349 -1.657 -5.925 1.00 0.00 N ATOM 338 CA LEU A 22 161.233 -1.850 -6.844 1.00 0.00 C ATOM 339 C LEU A 22 160.768 -3.307 -6.873 1.00 0.00 C ATOM 340 O LEU A 22 159.713 -3.614 -7.430 1.00 0.00 O ATOM 341 CB LEU A 22 161.627 -1.406 -8.255 1.00 0.00 C ATOM 342 CG LEU A 22 161.657 0.105 -8.479 1.00 0.00 C ATOM 343 CD1 LEU A 22 160.244 0.648 -8.552 1.00 0.00 C ATOM 344 CD2 LEU A 22 162.444 0.797 -7.376 1.00 0.00 C ATOM 0 H LEU A 22 163.233 -1.423 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 22 160.405 -1.239 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 22 162.613 -1.810 -8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 22 160.929 -1.848 -8.966 1.00 0.00 H new ATOM 0 HG LEU A 22 162.157 0.307 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 22 160.276 1.726 -8.712 1.00 0.00 H new ATOM 0 HD12 LEU A 22 159.714 0.174 -9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 22 159.724 0.435 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 22 162.453 1.872 -7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 22 161.976 0.593 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.467 0.422 -7.369 1.00 0.00 H new ATOM 356 N GLU A 23 161.561 -4.207 -6.295 1.00 0.00 N ATOM 357 CA GLU A 23 161.222 -5.624 -6.286 1.00 0.00 C ATOM 358 C GLU A 23 160.469 -6.029 -5.014 1.00 0.00 C ATOM 359 O GLU A 23 159.344 -6.523 -5.083 1.00 0.00 O ATOM 360 CB GLU A 23 162.501 -6.457 -6.452 1.00 0.00 C ATOM 361 CG GLU A 23 162.505 -7.771 -5.686 1.00 0.00 C ATOM 362 CD GLU A 23 161.367 -8.688 -6.092 1.00 0.00 C ATOM 363 OE1 GLU A 23 161.410 -9.223 -7.220 1.00 0.00 O ATOM 364 OE2 GLU A 23 160.435 -8.872 -5.281 1.00 0.00 O ATOM 0 H GLU A 23 162.439 -3.979 -5.829 1.00 0.00 H new ATOM 0 HA GLU A 23 160.551 -5.818 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 23 162.646 -6.669 -7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 23 163.353 -5.860 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 23 163.454 -8.281 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 23 162.437 -7.565 -4.618 1.00 0.00 H new ATOM 371 N MET A 24 161.102 -5.845 -3.859 1.00 0.00 N ATOM 372 CA MET A 24 160.494 -6.222 -2.586 1.00 0.00 C ATOM 373 C MET A 24 159.421 -5.234 -2.134 1.00 0.00 C ATOM 374 O MET A 24 158.399 -5.638 -1.579 1.00 0.00 O ATOM 375 CB MET A 24 161.566 -6.355 -1.504 1.00 0.00 C ATOM 376 CG MET A 24 162.633 -5.271 -1.550 1.00 0.00 C ATOM 377 SD MET A 24 163.486 -5.024 0.028 1.00 0.00 S ATOM 378 CE MET A 24 162.940 -6.439 0.980 1.00 0.00 C ATOM 0 H MET A 24 162.034 -5.438 -3.778 1.00 0.00 H new ATOM 0 HA MET A 24 160.006 -7.184 -2.741 1.00 0.00 H new ATOM 0 HB2 MET A 24 161.085 -6.335 -0.526 1.00 0.00 H new ATOM 0 HB3 MET A 24 162.047 -7.328 -1.602 1.00 0.00 H new ATOM 0 HG2 MET A 24 163.367 -5.528 -2.314 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.172 -4.332 -1.855 1.00 0.00 H new ATOM 0 HE1 MET A 24 163.602 -6.580 1.835 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.923 -6.270 1.333 1.00 0.00 H new ATOM 0 HE3 MET A 24 162.963 -7.330 0.353 1.00 0.00 H new ATOM 388 N ALA A 25 159.650 -3.943 -2.359 1.00 0.00 N ATOM 389 CA ALA A 25 158.685 -2.919 -1.952 1.00 0.00 C ATOM 390 C ALA A 25 157.266 -3.292 -2.373 1.00 0.00 C ATOM 391 O ALA A 25 156.938 -3.286 -3.560 1.00 0.00 O ATOM 392 CB ALA A 25 159.065 -1.565 -2.529 1.00 0.00 C ATOM 0 H ALA A 25 160.487 -3.581 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 25 158.709 -2.858 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.336 -0.818 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 25 160.054 -1.281 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 25 159.078 -1.624 -3.617 1.00 0.00 H new ATOM 398 N GLY A 26 156.427 -3.616 -1.392 1.00 0.00 N ATOM 399 CA GLY A 26 155.055 -3.986 -1.684 1.00 0.00 C ATOM 400 C GLY A 26 154.247 -4.289 -0.435 1.00 0.00 C ATOM 401 O GLY A 26 153.656 -3.390 0.163 1.00 0.00 O ATOM 0 H GLY A 26 156.674 -3.629 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 26 154.575 -3.177 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 26 155.050 -4.860 -2.335 1.00 0.00 H new ATOM 405 N GLU A 27 154.215 -5.560 -0.047 1.00 0.00 N ATOM 406 CA GLU A 27 153.466 -5.984 1.133 1.00 0.00 C ATOM 407 C GLU A 27 154.236 -5.710 2.425 1.00 0.00 C ATOM 408 O GLU A 27 153.728 -5.956 3.519 1.00 0.00 O ATOM 409 CB GLU A 27 153.131 -7.474 1.037 1.00 0.00 C ATOM 410 CG GLU A 27 152.087 -7.796 -0.020 1.00 0.00 C ATOM 411 CD GLU A 27 151.279 -9.034 0.318 1.00 0.00 C ATOM 412 OE1 GLU A 27 151.762 -10.152 0.041 1.00 0.00 O ATOM 413 OE2 GLU A 27 150.164 -8.885 0.860 1.00 0.00 O ATOM 0 H GLU A 27 154.699 -6.315 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 27 152.545 -5.402 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 27 154.043 -8.029 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 27 152.773 -7.821 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 27 151.414 -6.946 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 27 152.581 -7.940 -0.981 1.00 0.00 H new ATOM 420 N ASN A 28 155.459 -5.202 2.300 1.00 0.00 N ATOM 421 CA ASN A 28 156.280 -4.903 3.469 1.00 0.00 C ATOM 422 C ASN A 28 156.151 -3.434 3.863 1.00 0.00 C ATOM 423 O ASN A 28 156.292 -3.079 5.033 1.00 0.00 O ATOM 424 CB ASN A 28 157.745 -5.245 3.192 1.00 0.00 C ATOM 425 CG ASN A 28 157.954 -6.727 2.944 1.00 0.00 C ATOM 426 OD1 ASN A 28 158.549 -7.426 3.764 1.00 0.00 O ATOM 427 ND2 ASN A 28 157.464 -7.213 1.810 1.00 0.00 N ATOM 0 H ASN A 28 155.901 -4.990 1.406 1.00 0.00 H new ATOM 0 HA ASN A 28 155.924 -5.515 4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 28 158.089 -4.682 2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 28 158.355 -4.931 4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 28 157.574 -8.203 1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 28 156.978 -6.597 1.159 1.00 0.00 H new ATOM 434 N LEU A 29 155.880 -2.587 2.877 1.00 0.00 N ATOM 435 CA LEU A 29 155.728 -1.155 3.110 1.00 0.00 C ATOM 436 C LEU A 29 154.257 -0.806 3.350 1.00 0.00 C ATOM 437 O LEU A 29 153.364 -1.551 2.944 1.00 0.00 O ATOM 438 CB LEU A 29 156.280 -0.380 1.911 1.00 0.00 C ATOM 439 CG LEU A 29 156.618 1.088 2.175 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.607 1.604 1.138 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.351 1.921 2.162 1.00 0.00 C ATOM 0 H LEU A 29 155.760 -2.869 1.904 1.00 0.00 H new ATOM 0 HA LEU A 29 156.290 -0.875 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.180 -0.884 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.550 -0.427 1.103 1.00 0.00 H new ATOM 0 HG LEU A 29 157.082 1.170 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.836 2.650 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.524 1.016 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 29 157.170 1.515 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.600 2.965 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 29 154.868 1.833 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.673 1.564 2.937 1.00 0.00 H new ATOM 453 N ASP A 30 154.005 0.322 4.016 1.00 0.00 N ATOM 454 CA ASP A 30 152.637 0.752 4.311 1.00 0.00 C ATOM 455 C ASP A 30 151.985 1.433 3.104 1.00 0.00 C ATOM 456 O ASP A 30 152.658 2.057 2.286 1.00 0.00 O ATOM 457 CB ASP A 30 152.631 1.702 5.510 1.00 0.00 C ATOM 458 CG ASP A 30 151.550 1.357 6.516 1.00 0.00 C ATOM 459 OD1 ASP A 30 151.385 0.157 6.821 1.00 0.00 O ATOM 460 OD2 ASP A 30 150.869 2.287 6.998 1.00 0.00 O ATOM 0 H ASP A 30 154.728 0.953 4.361 1.00 0.00 H new ATOM 0 HA ASP A 30 152.055 -0.138 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.604 1.669 6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 30 152.485 2.724 5.160 1.00 0.00 H new ATOM 465 N PRO A 31 150.652 1.320 2.981 1.00 0.00 N ATOM 466 CA PRO A 31 149.901 1.920 1.870 1.00 0.00 C ATOM 467 C PRO A 31 150.236 3.393 1.637 1.00 0.00 C ATOM 468 O PRO A 31 150.462 3.813 0.502 1.00 0.00 O ATOM 469 CB PRO A 31 148.445 1.770 2.311 1.00 0.00 C ATOM 470 CG PRO A 31 148.443 0.582 3.208 1.00 0.00 C ATOM 471 CD PRO A 31 149.771 0.593 3.915 1.00 0.00 C ATOM 0 HA PRO A 31 150.137 1.435 0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.095 2.661 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 31 147.785 1.622 1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.621 0.634 3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.313 -0.337 2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.708 1.095 4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 31 150.133 -0.417 4.104 1.00 0.00 H new ATOM 479 N ALA A 32 150.247 4.181 2.709 1.00 0.00 N ATOM 480 CA ALA A 32 150.533 5.610 2.610 1.00 0.00 C ATOM 481 C ALA A 32 151.814 5.881 1.827 1.00 0.00 C ATOM 482 O ALA A 32 151.786 6.499 0.758 1.00 0.00 O ATOM 483 CB ALA A 32 150.628 6.223 3.999 1.00 0.00 C ATOM 0 H ALA A 32 150.061 3.854 3.657 1.00 0.00 H new ATOM 0 HA ALA A 32 149.710 6.073 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.841 7.288 3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.683 6.084 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 32 151.428 5.737 4.557 1.00 0.00 H new ATOM 489 N ASP A 33 152.937 5.420 2.365 1.00 0.00 N ATOM 490 CA ASP A 33 154.224 5.624 1.713 1.00 0.00 C ATOM 491 C ASP A 33 154.240 4.980 0.327 1.00 0.00 C ATOM 492 O ASP A 33 155.011 5.383 -0.544 1.00 0.00 O ATOM 493 CB ASP A 33 155.364 5.072 2.576 1.00 0.00 C ATOM 494 CG ASP A 33 156.183 6.175 3.219 1.00 0.00 C ATOM 495 OD1 ASP A 33 155.594 7.211 3.591 1.00 0.00 O ATOM 496 OD2 ASP A 33 157.413 6.002 3.349 1.00 0.00 O ATOM 0 H ASP A 33 152.983 4.906 3.245 1.00 0.00 H new ATOM 0 HA ASP A 33 154.374 6.697 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.950 4.429 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.015 4.450 1.961 1.00 0.00 H new ATOM 501 N ILE A 34 153.374 3.991 0.121 1.00 0.00 N ATOM 502 CA ILE A 34 153.285 3.315 -1.167 1.00 0.00 C ATOM 503 C ILE A 34 152.663 4.242 -2.207 1.00 0.00 C ATOM 504 O ILE A 34 153.030 4.211 -3.382 1.00 0.00 O ATOM 505 CB ILE A 34 152.456 2.009 -1.068 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.331 0.866 -0.556 1.00 0.00 C ATOM 507 CG2 ILE A 34 151.842 1.639 -2.413 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.551 -0.386 -0.218 1.00 0.00 C ATOM 0 H ILE A 34 152.727 3.642 0.828 1.00 0.00 H new ATOM 0 HA ILE A 34 154.298 3.052 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 34 151.643 2.180 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.079 0.626 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.869 1.200 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 34 151.267 0.719 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 34 151.185 2.442 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 34 152.635 1.491 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 34 153.235 -1.156 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.821 -0.161 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 34 152.034 -0.744 -1.108 1.00 0.00 H new ATOM 520 N LEU A 35 151.719 5.066 -1.764 1.00 0.00 N ATOM 521 CA LEU A 35 151.045 6.000 -2.654 1.00 0.00 C ATOM 522 C LEU A 35 152.002 7.099 -3.113 1.00 0.00 C ATOM 523 O LEU A 35 152.089 7.394 -4.304 1.00 0.00 O ATOM 524 CB LEU A 35 149.798 6.588 -1.969 1.00 0.00 C ATOM 525 CG LEU A 35 149.957 7.973 -1.330 1.00 0.00 C ATOM 526 CD1 LEU A 35 149.934 9.059 -2.395 1.00 0.00 C ATOM 527 CD2 LEU A 35 148.860 8.210 -0.303 1.00 0.00 C ATOM 0 H LEU A 35 151.405 5.105 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 35 150.717 5.460 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 35 148.997 6.643 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 35 149.473 5.891 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 35 150.921 8.011 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 35 150.048 10.035 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 35 150.752 8.898 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 35 148.985 9.024 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 35 148.986 9.197 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 35 147.887 8.153 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 35 148.921 7.450 0.476 1.00 0.00 H new ATOM 539 N LEU A 36 152.721 7.699 -2.170 1.00 0.00 N ATOM 540 CA LEU A 36 153.667 8.762 -2.501 1.00 0.00 C ATOM 541 C LEU A 36 154.743 8.253 -3.456 1.00 0.00 C ATOM 542 O LEU A 36 154.858 8.726 -4.586 1.00 0.00 O ATOM 543 CB LEU A 36 154.317 9.311 -1.229 1.00 0.00 C ATOM 544 CG LEU A 36 153.403 10.175 -0.357 1.00 0.00 C ATOM 545 CD1 LEU A 36 153.545 9.795 1.109 1.00 0.00 C ATOM 546 CD2 LEU A 36 153.713 11.651 -0.558 1.00 0.00 C ATOM 0 H LEU A 36 152.669 7.471 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 36 153.117 9.563 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 36 154.677 8.473 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.190 9.901 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 36 152.371 9.995 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 36 152.887 10.421 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 36 153.272 8.748 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 36 154.578 9.944 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 36 153.053 12.250 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 36 154.750 11.846 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 36 153.558 11.916 -1.604 1.00 0.00 H new ATOM 558 N PHE A 37 155.524 7.285 -2.985 1.00 0.00 N ATOM 559 CA PHE A 37 156.603 6.692 -3.780 1.00 0.00 C ATOM 560 C PHE A 37 156.181 6.507 -5.241 1.00 0.00 C ATOM 561 O PHE A 37 157.007 6.589 -6.150 1.00 0.00 O ATOM 562 CB PHE A 37 157.022 5.346 -3.170 1.00 0.00 C ATOM 563 CG PHE A 37 157.679 4.402 -4.141 1.00 0.00 C ATOM 564 CD1 PHE A 37 158.707 4.835 -4.963 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.265 3.082 -4.231 1.00 0.00 C ATOM 566 CE1 PHE A 37 159.310 3.970 -5.856 1.00 0.00 C ATOM 567 CE2 PHE A 37 157.864 2.213 -5.122 1.00 0.00 C ATOM 568 CZ PHE A 37 158.888 2.657 -5.935 1.00 0.00 C ATOM 0 H PHE A 37 155.431 6.890 -2.049 1.00 0.00 H new ATOM 0 HA PHE A 37 157.453 7.374 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 37 157.707 5.533 -2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.141 4.861 -2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.041 5.860 -4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 37 156.465 2.729 -3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.110 4.320 -6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 37 157.532 1.187 -5.183 1.00 0.00 H new ATOM 0 HZ PHE A 37 159.358 1.979 -6.632 1.00 0.00 H new ATOM 578 N ASN A 38 154.894 6.255 -5.457 1.00 0.00 N ATOM 579 CA ASN A 38 154.369 6.056 -6.803 1.00 0.00 C ATOM 580 C ASN A 38 154.278 7.373 -7.572 1.00 0.00 C ATOM 581 O ASN A 38 154.722 7.462 -8.717 1.00 0.00 O ATOM 582 CB ASN A 38 152.990 5.397 -6.738 1.00 0.00 C ATOM 583 CG ASN A 38 153.039 4.010 -6.128 1.00 0.00 C ATOM 584 OD1 ASN A 38 154.102 3.530 -5.734 1.00 0.00 O ATOM 585 ND2 ASN A 38 151.885 3.358 -6.047 1.00 0.00 N ATOM 0 H ASN A 38 154.195 6.184 -4.717 1.00 0.00 H new ATOM 0 HA ASN A 38 155.061 5.403 -7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 38 152.318 6.025 -6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 38 152.573 5.334 -7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 38 151.856 2.421 -5.646 1.00 0.00 H new ATOM 0 HD22 ASN A 38 151.028 3.794 -6.386 1.00 0.00 H new ATOM 592 N LEU A 39 153.688 8.389 -6.947 1.00 0.00 N ATOM 593 CA LEU A 39 153.528 9.691 -7.590 1.00 0.00 C ATOM 594 C LEU A 39 154.787 10.549 -7.475 1.00 0.00 C ATOM 595 O LEU A 39 154.967 11.496 -8.241 1.00 0.00 O ATOM 596 CB LEU A 39 152.342 10.444 -6.980 1.00 0.00 C ATOM 597 CG LEU A 39 150.967 9.811 -7.211 1.00 0.00 C ATOM 598 CD1 LEU A 39 150.841 9.284 -8.634 1.00 0.00 C ATOM 599 CD2 LEU A 39 150.719 8.700 -6.204 1.00 0.00 C ATOM 0 H LEU A 39 153.314 8.337 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 39 153.344 9.503 -8.648 1.00 0.00 H new ATOM 0 HB2 LEU A 39 152.505 10.534 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 39 152.329 11.456 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 39 150.210 10.582 -7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 39 149.855 8.840 -8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 39 150.970 10.105 -9.339 1.00 0.00 H new ATOM 0 HD13 LEU A 39 151.607 8.529 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 39 149.738 8.260 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 39 151.485 7.933 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 39 150.756 9.109 -5.194 1.00 0.00 H new ATOM 611 N GLN A 40 155.652 10.229 -6.517 1.00 0.00 N ATOM 612 CA GLN A 40 156.876 10.998 -6.323 1.00 0.00 C ATOM 613 C GLN A 40 158.081 10.093 -6.089 1.00 0.00 C ATOM 614 O GLN A 40 158.197 9.442 -5.051 1.00 0.00 O ATOM 615 CB GLN A 40 156.720 11.972 -5.150 1.00 0.00 C ATOM 616 CG GLN A 40 155.891 11.424 -3.998 1.00 0.00 C ATOM 617 CD GLN A 40 155.437 12.510 -3.038 1.00 0.00 C ATOM 618 OE1 GLN A 40 156.159 12.871 -2.108 1.00 0.00 O ATOM 619 NE2 GLN A 40 154.236 13.040 -3.256 1.00 0.00 N ATOM 0 H GLN A 40 155.530 9.451 -5.869 1.00 0.00 H new ATOM 0 HA GLN A 40 157.052 11.563 -7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 40 157.709 12.238 -4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 40 156.258 12.890 -5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.018 10.908 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 40 156.477 10.684 -3.453 1.00 0.00 H new ATOM 0 HE21 GLN A 40 153.669 12.713 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 40 153.883 13.773 -2.641 1.00 0.00 H new ATOM 628 N PHE A 41 158.980 10.074 -7.065 1.00 0.00 N ATOM 629 CA PHE A 41 160.196 9.273 -6.988 1.00 0.00 C ATOM 630 C PHE A 41 161.092 9.554 -8.189 1.00 0.00 C ATOM 631 O PHE A 41 162.283 9.819 -8.040 1.00 0.00 O ATOM 632 CB PHE A 41 159.865 7.781 -6.920 1.00 0.00 C ATOM 633 CG PHE A 41 161.030 6.938 -6.485 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.512 7.016 -5.188 1.00 0.00 C ATOM 635 CD2 PHE A 41 161.648 6.073 -7.374 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.587 6.247 -4.785 1.00 0.00 C ATOM 637 CE2 PHE A 41 162.723 5.301 -6.977 1.00 0.00 C ATOM 638 CZ PHE A 41 163.194 5.388 -5.681 1.00 0.00 C ATOM 0 H PHE A 41 158.888 10.610 -7.928 1.00 0.00 H new ATOM 0 HA PHE A 41 160.726 9.550 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.036 7.630 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 41 159.527 7.445 -7.900 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.042 7.686 -4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.285 6.001 -8.389 1.00 0.00 H new ATOM 0 HE1 PHE A 41 162.952 6.317 -3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.195 4.630 -7.679 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.035 4.786 -5.369 1.00 0.00 H new ATOM 648 N GLU A 42 160.506 9.506 -9.379 1.00 0.00 N ATOM 649 CA GLU A 42 161.245 9.769 -10.608 1.00 0.00 C ATOM 650 C GLU A 42 161.805 11.188 -10.598 1.00 0.00 C ATOM 651 O GLU A 42 162.884 11.449 -11.130 1.00 0.00 O ATOM 652 CB GLU A 42 160.328 9.579 -11.817 1.00 0.00 C ATOM 653 CG GLU A 42 160.965 9.978 -13.138 1.00 0.00 C ATOM 654 CD GLU A 42 162.082 9.041 -13.554 1.00 0.00 C ATOM 655 OE1 GLU A 42 161.786 8.019 -14.208 1.00 0.00 O ATOM 656 OE2 GLU A 42 163.252 9.329 -13.225 1.00 0.00 O ATOM 0 H GLU A 42 159.520 9.287 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 42 162.076 9.066 -10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 42 160.026 8.533 -11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 42 159.421 10.166 -11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 42 160.201 9.994 -13.915 1.00 0.00 H new ATOM 0 HG3 GLU A 42 161.358 10.992 -13.056 1.00 0.00 H new ATOM 663 N GLU A 43 161.056 12.095 -9.985 1.00 0.00 N ATOM 664 CA GLU A 43 161.460 13.494 -9.894 1.00 0.00 C ATOM 665 C GLU A 43 162.437 13.711 -8.740 1.00 0.00 C ATOM 666 O GLU A 43 163.503 14.297 -8.922 1.00 0.00 O ATOM 667 CB GLU A 43 160.231 14.389 -9.716 1.00 0.00 C ATOM 668 CG GLU A 43 159.799 15.091 -10.994 1.00 0.00 C ATOM 669 CD GLU A 43 160.668 16.289 -11.323 1.00 0.00 C ATOM 670 OE1 GLU A 43 161.906 16.175 -11.205 1.00 0.00 O ATOM 671 OE2 GLU A 43 160.109 17.342 -11.698 1.00 0.00 O ATOM 0 H GLU A 43 160.161 11.887 -9.541 1.00 0.00 H new ATOM 0 HA GLU A 43 161.965 13.760 -10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 43 159.403 13.785 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 43 160.445 15.139 -8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 43 159.833 14.383 -11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 43 158.763 15.415 -10.894 1.00 0.00 H new ATOM 678 N ARG A 44 162.065 13.241 -7.552 1.00 0.00 N ATOM 679 CA ARG A 44 162.912 13.394 -6.372 1.00 0.00 C ATOM 680 C ARG A 44 163.379 12.038 -5.848 1.00 0.00 C ATOM 681 O ARG A 44 163.218 11.727 -4.668 1.00 0.00 O ATOM 682 CB ARG A 44 162.166 14.153 -5.269 1.00 0.00 C ATOM 683 CG ARG A 44 160.673 13.865 -5.223 1.00 0.00 C ATOM 684 CD ARG A 44 159.883 14.898 -6.011 1.00 0.00 C ATOM 685 NE ARG A 44 158.721 14.312 -6.675 1.00 0.00 N ATOM 686 CZ ARG A 44 157.990 14.948 -7.588 1.00 0.00 C ATOM 687 NH1 ARG A 44 158.299 16.187 -7.949 1.00 0.00 N ATOM 688 NH2 ARG A 44 156.948 14.344 -8.141 1.00 0.00 N ATOM 0 H ARG A 44 161.186 12.753 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 44 163.790 13.969 -6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 44 162.605 13.897 -4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 44 162.315 15.223 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 44 160.480 12.871 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 44 160.334 13.859 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 44 159.555 15.692 -5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 44 160.532 15.359 -6.756 1.00 0.00 H new ATOM 0 HE ARG A 44 158.454 13.360 -6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 44 159.100 16.657 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 44 157.736 16.670 -8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 44 156.706 13.392 -7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 44 156.388 14.831 -8.840 1.00 0.00 H new ATOM 702 N GLY A 45 163.961 11.237 -6.733 1.00 0.00 N ATOM 703 CA GLY A 45 164.445 9.925 -6.342 1.00 0.00 C ATOM 704 C GLY A 45 165.954 9.879 -6.213 1.00 0.00 C ATOM 705 O GLY A 45 166.673 10.177 -7.166 1.00 0.00 O ATOM 0 H GLY A 45 164.107 11.472 -7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.993 9.643 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 45 164.124 9.188 -7.078 1.00 0.00 H new ATOM 709 N GLY A 46 166.438 9.500 -5.033 1.00 0.00 N ATOM 710 CA GLY A 46 167.868 9.417 -4.813 1.00 0.00 C ATOM 711 C GLY A 46 168.231 8.366 -3.784 1.00 0.00 C ATOM 712 O GLY A 46 167.806 8.444 -2.632 1.00 0.00 O ATOM 0 H GLY A 46 165.865 9.250 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 46 168.366 9.187 -5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 46 168.240 10.388 -4.485 1.00 0.00 H new ATOM 716 N VAL A 47 169.021 7.381 -4.196 1.00 0.00 N ATOM 717 CA VAL A 47 169.442 6.315 -3.298 1.00 0.00 C ATOM 718 C VAL A 47 170.895 6.504 -2.876 1.00 0.00 C ATOM 719 O VAL A 47 171.816 6.096 -3.584 1.00 0.00 O ATOM 720 CB VAL A 47 169.277 4.931 -3.955 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.598 3.823 -2.963 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.869 4.768 -4.510 1.00 0.00 C ATOM 0 H VAL A 47 169.382 7.300 -5.146 1.00 0.00 H new ATOM 0 HA VAL A 47 168.802 6.363 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 47 169.981 4.858 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 47 169.475 2.854 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.627 3.929 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.922 3.891 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.771 3.785 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 47 167.145 4.864 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.681 5.539 -5.257 1.00 0.00 H new ATOM 732 N GLU A 48 171.092 7.132 -1.722 1.00 0.00 N ATOM 733 CA GLU A 48 172.434 7.384 -1.207 1.00 0.00 C ATOM 734 C GLU A 48 173.000 6.147 -0.520 1.00 0.00 C ATOM 735 O GLU A 48 172.305 5.472 0.239 1.00 0.00 O ATOM 736 CB GLU A 48 172.413 8.560 -0.229 1.00 0.00 C ATOM 737 CG GLU A 48 171.338 8.445 0.840 1.00 0.00 C ATOM 738 CD GLU A 48 171.545 9.421 1.982 1.00 0.00 C ATOM 739 OE1 GLU A 48 172.425 9.164 2.830 1.00 0.00 O ATOM 740 OE2 GLU A 48 170.829 10.443 2.027 1.00 0.00 O ATOM 0 H GLU A 48 170.340 7.476 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 48 173.078 7.631 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 48 173.387 8.637 0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 48 172.260 9.483 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.362 8.621 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 48 171.329 7.428 1.233 1.00 0.00 H new ATOM 747 N PHE A 49 174.269 5.856 -0.789 1.00 0.00 N ATOM 748 CA PHE A 49 174.932 4.701 -0.196 1.00 0.00 C ATOM 749 C PHE A 49 175.535 5.057 1.160 1.00 0.00 C ATOM 750 O PHE A 49 176.199 6.083 1.306 1.00 0.00 O ATOM 751 CB PHE A 49 176.025 4.179 -1.131 1.00 0.00 C ATOM 752 CG PHE A 49 176.712 2.945 -0.619 1.00 0.00 C ATOM 753 CD1 PHE A 49 176.079 1.714 -0.666 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.991 3.018 -0.091 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.709 0.577 -0.196 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.625 1.885 0.382 1.00 0.00 C ATOM 757 CZ PHE A 49 177.983 0.663 0.329 1.00 0.00 C ATOM 0 H PHE A 49 174.859 6.405 -1.414 1.00 0.00 H new ATOM 0 HA PHE A 49 174.185 3.921 -0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.586 3.963 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.768 4.962 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 49 175.082 1.642 -1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.498 3.971 -0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 49 176.205 -0.377 -0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.621 1.955 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.477 -0.224 0.698 1.00 0.00 H new ATOM 767 N VAL A 50 175.298 4.201 2.147 1.00 0.00 N ATOM 768 CA VAL A 50 175.815 4.418 3.494 1.00 0.00 C ATOM 769 C VAL A 50 176.521 3.166 4.009 1.00 0.00 C ATOM 770 O VAL A 50 176.753 2.220 3.256 1.00 0.00 O ATOM 771 CB VAL A 50 174.693 4.818 4.483 1.00 0.00 C ATOM 772 CG1 VAL A 50 174.744 6.310 4.775 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.324 4.423 3.947 1.00 0.00 C ATOM 0 H VAL A 50 174.750 3.348 2.040 1.00 0.00 H new ATOM 0 HA VAL A 50 176.528 5.240 3.433 1.00 0.00 H new ATOM 0 HB VAL A 50 174.858 4.278 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.948 6.572 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 50 175.709 6.562 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 50 174.612 6.867 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.555 4.716 4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 50 173.146 4.926 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.289 3.344 3.798 1.00 0.00 H new ATOM 783 N GLU A 51 176.854 3.160 5.296 1.00 0.00 N ATOM 784 CA GLU A 51 177.525 2.019 5.905 1.00 0.00 C ATOM 785 C GLU A 51 176.784 1.564 7.157 1.00 0.00 C ATOM 786 O GLU A 51 175.862 2.235 7.621 1.00 0.00 O ATOM 787 CB GLU A 51 178.971 2.378 6.252 1.00 0.00 C ATOM 788 CG GLU A 51 179.986 1.841 5.257 1.00 0.00 C ATOM 789 CD GLU A 51 181.326 1.539 5.898 1.00 0.00 C ATOM 790 OE1 GLU A 51 181.517 0.397 6.366 1.00 0.00 O ATOM 791 OE2 GLU A 51 182.185 2.446 5.932 1.00 0.00 O ATOM 0 H GLU A 51 176.670 3.932 5.936 1.00 0.00 H new ATOM 0 HA GLU A 51 177.527 1.199 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 51 179.065 3.463 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.205 1.989 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 51 179.594 0.933 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 51 180.125 2.568 4.457 1.00 0.00 H new ATOM 798 N THR A 52 177.191 0.423 7.701 1.00 0.00 N ATOM 799 CA THR A 52 176.562 -0.116 8.900 1.00 0.00 C ATOM 800 C THR A 52 176.763 0.820 10.086 1.00 0.00 C ATOM 801 O THR A 52 177.721 1.593 10.126 1.00 0.00 O ATOM 802 CB THR A 52 177.128 -1.498 9.227 1.00 0.00 C ATOM 803 OG1 THR A 52 177.344 -2.245 8.043 1.00 0.00 O ATOM 804 CG2 THR A 52 176.227 -2.315 10.129 1.00 0.00 C ATOM 0 H THR A 52 177.953 -0.146 7.331 1.00 0.00 H new ATOM 0 HA THR A 52 175.493 -0.208 8.706 1.00 0.00 H new ATOM 0 HB THR A 52 178.065 -1.310 9.751 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.396 -3.199 8.263 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.687 -3.284 10.322 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.082 -1.788 11.072 1.00 0.00 H new ATOM 0 HG23 THR A 52 175.262 -2.462 9.643 1.00 0.00 H new ATOM 812 N ALA A 53 175.854 0.743 11.049 1.00 0.00 N ATOM 813 CA ALA A 53 175.926 1.578 12.240 1.00 0.00 C ATOM 814 C ALA A 53 176.762 0.909 13.325 1.00 0.00 C ATOM 815 O ALA A 53 177.537 -0.007 13.049 1.00 0.00 O ATOM 816 CB ALA A 53 174.526 1.859 12.762 1.00 0.00 C ATOM 0 H ALA A 53 175.056 0.108 11.028 1.00 0.00 H new ATOM 0 HA ALA A 53 176.406 2.519 11.970 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.588 2.484 13.653 1.00 0.00 H new ATOM 0 HB2 ALA A 53 173.949 2.376 11.996 1.00 0.00 H new ATOM 0 HB3 ALA A 53 174.035 0.918 13.012 1.00 0.00 H new ATOM 822 N ASP A 54 176.586 1.361 14.564 1.00 0.00 N ATOM 823 CA ASP A 54 177.308 0.795 15.693 1.00 0.00 C ATOM 824 C ASP A 54 176.472 -0.291 16.362 1.00 0.00 C ATOM 825 O ASP A 54 176.525 -0.466 17.579 1.00 0.00 O ATOM 826 CB ASP A 54 177.657 1.888 16.705 1.00 0.00 C ATOM 827 CG ASP A 54 179.024 2.494 16.453 1.00 0.00 C ATOM 828 OD1 ASP A 54 180.028 1.896 16.893 1.00 0.00 O ATOM 829 OD2 ASP A 54 179.089 3.566 15.815 1.00 0.00 O ATOM 0 H ASP A 54 175.948 2.119 14.809 1.00 0.00 H new ATOM 0 HA ASP A 54 178.233 0.351 15.326 1.00 0.00 H new ATOM 0 HB2 ASP A 54 176.901 2.673 16.663 1.00 0.00 H new ATOM 0 HB3 ASP A 54 177.628 1.470 17.711 1.00 0.00 H new ATOM 834 N ASP A 55 175.696 -1.012 15.550 1.00 0.00 N ATOM 835 CA ASP A 55 174.831 -2.088 16.036 1.00 0.00 C ATOM 836 C ASP A 55 173.508 -1.529 16.542 1.00 0.00 C ATOM 837 O ASP A 55 173.466 -0.816 17.544 1.00 0.00 O ATOM 838 CB ASP A 55 175.516 -2.899 17.144 1.00 0.00 C ATOM 839 CG ASP A 55 176.969 -3.201 16.829 1.00 0.00 C ATOM 840 OD1 ASP A 55 177.356 -3.088 15.647 1.00 0.00 O ATOM 841 OD2 ASP A 55 177.718 -3.553 17.764 1.00 0.00 O ATOM 0 H ASP A 55 175.650 -0.867 14.541 1.00 0.00 H new ATOM 0 HA ASP A 55 174.635 -2.755 15.196 1.00 0.00 H new ATOM 0 HB2 ASP A 55 175.458 -2.347 18.082 1.00 0.00 H new ATOM 0 HB3 ASP A 55 174.977 -3.835 17.291 1.00 0.00 H new ATOM 846 N TRP A 56 172.428 -1.851 15.836 1.00 0.00 N ATOM 847 CA TRP A 56 171.105 -1.372 16.214 1.00 0.00 C ATOM 848 C TRP A 56 170.050 -2.463 16.061 1.00 0.00 C ATOM 849 O TRP A 56 168.899 -2.180 15.732 1.00 0.00 O ATOM 850 CB TRP A 56 170.717 -0.150 15.377 1.00 0.00 C ATOM 851 CG TRP A 56 171.126 -0.239 13.937 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.395 -0.352 13.446 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.258 -0.209 12.799 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.368 -0.391 12.073 1.00 0.00 N ATOM 855 CE2 TRP A 56 171.067 -0.306 11.652 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.874 -0.111 12.640 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.537 -0.306 10.365 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.348 -0.112 11.362 1.00 0.00 C ATOM 859 CH2 TRP A 56 169.177 -0.209 10.238 1.00 0.00 C ATOM 0 H TRP A 56 172.444 -2.439 15.003 1.00 0.00 H new ATOM 0 HA TRP A 56 171.148 -1.087 17.265 1.00 0.00 H new ATOM 0 HB2 TRP A 56 169.637 -0.016 15.429 1.00 0.00 H new ATOM 0 HB3 TRP A 56 171.170 0.738 15.818 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.290 -0.403 14.049 1.00 0.00 H new ATOM 0 HE1 TRP A 56 173.184 -0.470 11.466 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.226 -0.036 13.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 171.176 -0.380 9.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.279 -0.037 11.228 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.736 -0.207 9.252 1.00 0.00 H new ATOM 870 N GLU A 57 170.450 -3.708 16.302 1.00 0.00 N ATOM 871 CA GLU A 57 169.535 -4.841 16.194 1.00 0.00 C ATOM 872 C GLU A 57 168.358 -4.680 17.154 1.00 0.00 C ATOM 873 O GLU A 57 168.339 -5.272 18.233 1.00 0.00 O ATOM 874 CB GLU A 57 170.272 -6.150 16.491 1.00 0.00 C ATOM 875 CG GLU A 57 171.131 -6.095 17.743 1.00 0.00 C ATOM 876 CD GLU A 57 171.447 -7.471 18.294 1.00 0.00 C ATOM 877 OE1 GLU A 57 170.543 -8.095 18.887 1.00 0.00 O ATOM 878 OE2 GLU A 57 172.600 -7.925 18.133 1.00 0.00 O ATOM 0 H GLU A 57 171.401 -3.958 16.573 1.00 0.00 H new ATOM 0 HA GLU A 57 169.151 -4.871 15.174 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.542 -6.952 16.597 1.00 0.00 H new ATOM 0 HB3 GLU A 57 170.903 -6.403 15.639 1.00 0.00 H new ATOM 0 HG2 GLU A 57 172.062 -5.575 17.518 1.00 0.00 H new ATOM 0 HG3 GLU A 57 170.617 -5.511 18.507 1.00 0.00 H new ATOM 885 N GLU A 58 167.384 -3.867 16.757 1.00 0.00 N ATOM 886 CA GLU A 58 166.209 -3.620 17.585 1.00 0.00 C ATOM 887 C GLU A 58 165.015 -3.175 16.742 1.00 0.00 C ATOM 888 O GLU A 58 163.875 -3.546 17.024 1.00 0.00 O ATOM 889 CB GLU A 58 166.530 -2.555 18.635 1.00 0.00 C ATOM 890 CG GLU A 58 166.585 -3.098 20.055 1.00 0.00 C ATOM 891 CD GLU A 58 167.963 -2.973 20.676 1.00 0.00 C ATOM 892 OE1 GLU A 58 168.369 -1.836 20.997 1.00 0.00 O ATOM 893 OE2 GLU A 58 168.636 -4.012 20.842 1.00 0.00 O ATOM 0 H GLU A 58 167.385 -3.368 15.867 1.00 0.00 H new ATOM 0 HA GLU A 58 165.942 -4.554 18.079 1.00 0.00 H new ATOM 0 HB2 GLU A 58 167.488 -2.095 18.393 1.00 0.00 H new ATOM 0 HB3 GLU A 58 165.777 -1.768 18.585 1.00 0.00 H new ATOM 0 HG2 GLU A 58 165.863 -2.564 20.672 1.00 0.00 H new ATOM 0 HG3 GLU A 58 166.287 -4.146 20.051 1.00 0.00 H new ATOM 900 N GLU A 59 165.278 -2.378 15.709 1.00 0.00 N ATOM 901 CA GLU A 59 164.217 -1.890 14.836 1.00 0.00 C ATOM 902 C GLU A 59 164.030 -2.809 13.633 1.00 0.00 C ATOM 903 O GLU A 59 162.906 -3.187 13.300 1.00 0.00 O ATOM 904 CB GLU A 59 164.516 -0.462 14.370 1.00 0.00 C ATOM 905 CG GLU A 59 165.649 -0.366 13.362 1.00 0.00 C ATOM 906 CD GLU A 59 166.054 1.068 13.081 1.00 0.00 C ATOM 907 OE1 GLU A 59 166.594 1.723 13.997 1.00 0.00 O ATOM 908 OE2 GLU A 59 165.829 1.537 11.945 1.00 0.00 O ATOM 0 H GLU A 59 166.213 -2.058 15.458 1.00 0.00 H new ATOM 0 HA GLU A 59 163.290 -1.884 15.409 1.00 0.00 H new ATOM 0 HB2 GLU A 59 163.614 -0.038 13.929 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.763 0.149 15.238 1.00 0.00 H new ATOM 0 HG2 GLU A 59 166.512 -0.918 13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.344 -0.844 12.431 1.00 0.00 H new ATOM 915 N ILE A 60 165.133 -3.172 12.984 1.00 0.00 N ATOM 916 CA ILE A 60 165.080 -4.054 11.820 1.00 0.00 C ATOM 917 C ILE A 60 164.806 -5.496 12.238 1.00 0.00 C ATOM 918 O ILE A 60 164.217 -6.269 11.483 1.00 0.00 O ATOM 919 CB ILE A 60 166.390 -4.014 10.994 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.609 -3.796 11.897 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.317 -2.927 9.932 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.928 -3.868 11.161 1.00 0.00 C ATOM 0 H ILE A 60 166.072 -2.870 13.243 1.00 0.00 H new ATOM 0 HA ILE A 60 164.265 -3.688 11.196 1.00 0.00 H new ATOM 0 HB ILE A 60 166.504 -4.979 10.501 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.524 -2.822 12.379 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.603 -4.545 12.689 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.246 -2.913 9.361 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.482 -3.129 9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.171 -1.959 10.412 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.746 -3.704 11.863 1.00 0.00 H new ATOM 0 HD12 ILE A 60 169.035 -4.851 10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.955 -3.101 10.387 1.00 0.00 H new ATOM 934 N GLY A 61 165.237 -5.851 13.445 1.00 0.00 N ATOM 935 CA GLY A 61 165.029 -7.199 13.942 1.00 0.00 C ATOM 936 C GLY A 61 166.029 -8.187 13.373 1.00 0.00 C ATOM 937 O GLY A 61 165.667 -9.063 12.589 1.00 0.00 O ATOM 0 H GLY A 61 165.727 -5.229 14.088 1.00 0.00 H new ATOM 0 HA2 GLY A 61 165.103 -7.198 15.030 1.00 0.00 H new ATOM 0 HA3 GLY A 61 164.019 -7.524 13.691 1.00 0.00 H new ATOM 941 N VAL A 62 167.288 -8.049 13.779 1.00 0.00 N ATOM 942 CA VAL A 62 168.357 -8.936 13.318 1.00 0.00 C ATOM 943 C VAL A 62 169.712 -8.443 13.805 1.00 0.00 C ATOM 944 O VAL A 62 169.975 -7.241 13.820 1.00 0.00 O ATOM 945 CB VAL A 62 168.411 -9.068 11.776 1.00 0.00 C ATOM 946 CG1 VAL A 62 167.808 -10.391 11.338 1.00 0.00 C ATOM 947 CG2 VAL A 62 167.722 -7.897 11.085 1.00 0.00 C ATOM 0 H VAL A 62 167.596 -7.327 14.430 1.00 0.00 H new ATOM 0 HA VAL A 62 168.131 -9.917 13.737 1.00 0.00 H new ATOM 0 HB VAL A 62 169.458 -9.047 11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 62 167.853 -10.469 10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.369 -11.212 11.785 1.00 0.00 H new ATOM 0 HG13 VAL A 62 166.769 -10.442 11.663 1.00 0.00 H new ATOM 0 HG21 VAL A 62 167.781 -8.026 10.004 1.00 0.00 H new ATOM 0 HG22 VAL A 62 166.676 -7.859 11.389 1.00 0.00 H new ATOM 0 HG23 VAL A 62 168.215 -6.967 11.367 1.00 0.00 H new ATOM 957 N LEU A 63 170.573 -9.375 14.200 1.00 0.00 N ATOM 958 CA LEU A 63 171.905 -9.024 14.683 1.00 0.00 C ATOM 959 C LEU A 63 172.636 -8.150 13.669 1.00 0.00 C ATOM 960 O LEU A 63 172.594 -8.409 12.467 1.00 0.00 O ATOM 961 CB LEU A 63 172.722 -10.289 14.991 1.00 0.00 C ATOM 962 CG LEU A 63 173.190 -11.105 13.777 1.00 0.00 C ATOM 963 CD1 LEU A 63 172.045 -11.340 12.802 1.00 0.00 C ATOM 964 CD2 LEU A 63 174.359 -10.420 13.080 1.00 0.00 C ATOM 0 H LEU A 63 170.374 -10.375 14.196 1.00 0.00 H new ATOM 0 HA LEU A 63 171.791 -8.455 15.606 1.00 0.00 H new ATOM 0 HB2 LEU A 63 173.600 -9.998 15.568 1.00 0.00 H new ATOM 0 HB3 LEU A 63 172.122 -10.938 15.629 1.00 0.00 H new ATOM 0 HG LEU A 63 173.530 -12.076 14.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 172.404 -11.920 11.952 1.00 0.00 H new ATOM 0 HD12 LEU A 63 171.247 -11.887 13.303 1.00 0.00 H new ATOM 0 HD13 LEU A 63 171.663 -10.381 12.452 1.00 0.00 H new ATOM 0 HD21 LEU A 63 174.672 -11.017 12.224 1.00 0.00 H new ATOM 0 HD22 LEU A 63 174.051 -9.431 12.740 1.00 0.00 H new ATOM 0 HD23 LEU A 63 175.191 -10.321 13.777 1.00 0.00 H new ATOM 976 N ILE A 64 173.296 -7.105 14.157 1.00 0.00 N ATOM 977 CA ILE A 64 174.022 -6.192 13.283 1.00 0.00 C ATOM 978 C ILE A 64 175.530 -6.326 13.458 1.00 0.00 C ATOM 979 O ILE A 64 176.042 -6.319 14.577 1.00 0.00 O ATOM 980 CB ILE A 64 173.612 -4.727 13.535 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.087 -4.598 13.602 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.177 -3.825 12.448 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.364 -5.272 12.454 1.00 0.00 C ATOM 0 H ILE A 64 173.343 -6.870 15.148 1.00 0.00 H new ATOM 0 HA ILE A 64 173.760 -6.466 12.261 1.00 0.00 H new ATOM 0 HB ILE A 64 174.024 -4.413 14.494 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.737 -5.026 14.541 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.822 -3.541 13.615 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.879 -2.794 12.639 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.265 -3.894 12.447 1.00 0.00 H new ATOM 0 HG23 ILE A 64 173.792 -4.140 11.478 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.289 -5.137 12.572 1.00 0.00 H new ATOM 0 HD12 ILE A 64 171.684 -4.828 11.511 1.00 0.00 H new ATOM 0 HD13 ILE A 64 171.598 -6.337 12.452 1.00 0.00 H new ATOM 995 N ASP A 65 176.233 -6.438 12.337 1.00 0.00 N ATOM 996 CA ASP A 65 177.685 -6.562 12.344 1.00 0.00 C ATOM 997 C ASP A 65 178.294 -5.641 11.290 1.00 0.00 C ATOM 998 O ASP A 65 178.228 -5.928 10.095 1.00 0.00 O ATOM 999 CB ASP A 65 178.101 -8.010 12.079 1.00 0.00 C ATOM 1000 CG ASP A 65 177.608 -8.958 13.154 1.00 0.00 C ATOM 1001 OD1 ASP A 65 177.702 -8.602 14.348 1.00 0.00 O ATOM 1002 OD2 ASP A 65 177.128 -10.057 12.804 1.00 0.00 O ATOM 0 H ASP A 65 175.817 -6.445 11.406 1.00 0.00 H new ATOM 0 HA ASP A 65 178.053 -6.270 13.327 1.00 0.00 H new ATOM 0 HB2 ASP A 65 177.710 -8.326 11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 65 179.188 -8.068 12.018 1.00 0.00 H new ATOM 1007 N PRO A 66 178.888 -4.512 11.711 1.00 0.00 N ATOM 1008 CA PRO A 66 179.493 -3.557 10.782 1.00 0.00 C ATOM 1009 C PRO A 66 180.685 -4.145 10.038 1.00 0.00 C ATOM 1010 O PRO A 66 181.268 -5.141 10.465 1.00 0.00 O ATOM 1011 CB PRO A 66 179.938 -2.401 11.684 1.00 0.00 C ATOM 1012 CG PRO A 66 180.059 -2.999 13.042 1.00 0.00 C ATOM 1013 CD PRO A 66 179.012 -4.074 13.113 1.00 0.00 C ATOM 0 HA PRO A 66 178.793 -3.255 10.002 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.888 -1.983 11.351 1.00 0.00 H new ATOM 0 HB3 PRO A 66 179.211 -1.589 11.673 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.055 -3.413 13.199 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.900 -2.247 13.815 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.318 -4.892 13.765 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.068 -3.692 13.501 1.00 0.00 H new ATOM 1021 N GLU A 67 181.036 -3.518 8.918 1.00 0.00 N ATOM 1022 CA GLU A 67 182.160 -3.957 8.091 1.00 0.00 C ATOM 1023 C GLU A 67 181.832 -5.222 7.293 1.00 0.00 C ATOM 1024 O GLU A 67 182.607 -5.627 6.427 1.00 0.00 O ATOM 1025 CB GLU A 67 183.413 -4.181 8.946 1.00 0.00 C ATOM 1026 CG GLU A 67 184.465 -3.097 8.776 1.00 0.00 C ATOM 1027 CD GLU A 67 185.062 -3.075 7.383 1.00 0.00 C ATOM 1028 OE1 GLU A 67 184.339 -2.711 6.432 1.00 0.00 O ATOM 1029 OE2 GLU A 67 186.254 -3.420 7.242 1.00 0.00 O ATOM 0 H GLU A 67 180.553 -2.695 8.558 1.00 0.00 H new ATOM 0 HA GLU A 67 182.357 -3.158 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 67 183.123 -4.233 9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.851 -5.145 8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 67 184.019 -2.126 8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 67 185.260 -3.251 9.505 1.00 0.00 H new ATOM 1036 N GLU A 68 180.684 -5.839 7.569 1.00 0.00 N ATOM 1037 CA GLU A 68 180.283 -7.043 6.850 1.00 0.00 C ATOM 1038 C GLU A 68 178.972 -6.823 6.091 1.00 0.00 C ATOM 1039 O GLU A 68 178.532 -7.686 5.332 1.00 0.00 O ATOM 1040 CB GLU A 68 180.173 -8.235 7.808 1.00 0.00 C ATOM 1041 CG GLU A 68 178.929 -8.228 8.679 1.00 0.00 C ATOM 1042 CD GLU A 68 178.352 -9.617 8.877 1.00 0.00 C ATOM 1043 OE1 GLU A 68 177.833 -10.189 7.896 1.00 0.00 O ATOM 1044 OE2 GLU A 68 178.420 -10.131 10.013 1.00 0.00 O ATOM 0 H GLU A 68 180.022 -5.527 8.279 1.00 0.00 H new ATOM 0 HA GLU A 68 181.055 -7.270 6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 68 180.189 -9.156 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 68 181.052 -8.250 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 68 179.172 -7.797 9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 68 178.175 -7.586 8.225 1.00 0.00 H new ATOM 1051 N TYR A 69 178.360 -5.652 6.287 1.00 0.00 N ATOM 1052 CA TYR A 69 177.113 -5.318 5.601 1.00 0.00 C ATOM 1053 C TYR A 69 177.189 -3.925 4.986 1.00 0.00 C ATOM 1054 O TYR A 69 177.841 -3.030 5.524 1.00 0.00 O ATOM 1055 CB TYR A 69 175.906 -5.385 6.553 1.00 0.00 C ATOM 1056 CG TYR A 69 175.731 -6.707 7.275 1.00 0.00 C ATOM 1057 CD1 TYR A 69 175.363 -7.865 6.592 1.00 0.00 C ATOM 1058 CD2 TYR A 69 175.928 -6.794 8.648 1.00 0.00 C ATOM 1059 CE1 TYR A 69 175.203 -9.065 7.257 1.00 0.00 C ATOM 1060 CE2 TYR A 69 175.770 -7.993 9.317 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.409 -9.124 8.618 1.00 0.00 C ATOM 1062 OH TYR A 69 175.251 -10.319 9.282 1.00 0.00 O ATOM 0 H TYR A 69 178.707 -4.924 6.912 1.00 0.00 H new ATOM 0 HA TYR A 69 176.977 -6.058 4.812 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.004 -4.593 7.295 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.001 -5.177 5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 69 175.200 -7.823 5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 69 176.209 -5.910 9.201 1.00 0.00 H new ATOM 0 HE1 TYR A 69 174.918 -9.953 6.713 1.00 0.00 H new ATOM 0 HE2 TYR A 69 175.929 -8.043 10.384 1.00 0.00 H new ATOM 0 HH TYR A 69 176.000 -10.913 9.069 1.00 0.00 H new ATOM 1072 N ALA A 70 176.502 -3.747 3.862 1.00 0.00 N ATOM 1073 CA ALA A 70 176.470 -2.463 3.175 1.00 0.00 C ATOM 1074 C ALA A 70 175.125 -1.785 3.398 1.00 0.00 C ATOM 1075 O ALA A 70 174.076 -2.395 3.193 1.00 0.00 O ATOM 1076 CB ALA A 70 176.738 -2.648 1.689 1.00 0.00 C ATOM 0 H ALA A 70 175.958 -4.480 3.407 1.00 0.00 H new ATOM 0 HA ALA A 70 177.253 -1.825 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.710 -1.679 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.720 -3.100 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.976 -3.298 1.260 1.00 0.00 H new ATOM 1082 N GLU A 71 175.155 -0.530 3.832 1.00 0.00 N ATOM 1083 CA GLU A 71 173.927 0.206 4.097 1.00 0.00 C ATOM 1084 C GLU A 71 173.533 1.080 2.912 1.00 0.00 C ATOM 1085 O GLU A 71 174.354 1.812 2.361 1.00 0.00 O ATOM 1086 CB GLU A 71 174.086 1.067 5.353 1.00 0.00 C ATOM 1087 CG GLU A 71 172.840 1.861 5.714 1.00 0.00 C ATOM 1088 CD GLU A 71 171.844 1.050 6.520 1.00 0.00 C ATOM 1089 OE1 GLU A 71 171.956 1.040 7.764 1.00 0.00 O ATOM 1090 OE2 GLU A 71 170.953 0.426 5.908 1.00 0.00 O ATOM 0 H GLU A 71 176.012 -0.004 4.007 1.00 0.00 H new ATOM 0 HA GLU A 71 173.132 -0.522 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 71 174.351 0.424 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.916 1.758 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 71 173.129 2.744 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 71 172.361 2.213 4.800 1.00 0.00 H new ATOM 1097 N VAL A 72 172.260 1.006 2.541 1.00 0.00 N ATOM 1098 CA VAL A 72 171.728 1.797 1.440 1.00 0.00 C ATOM 1099 C VAL A 72 170.438 2.482 1.875 1.00 0.00 C ATOM 1100 O VAL A 72 169.585 1.866 2.513 1.00 0.00 O ATOM 1101 CB VAL A 72 171.483 0.930 0.181 1.00 0.00 C ATOM 1102 CG1 VAL A 72 170.252 1.391 -0.594 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.711 0.955 -0.713 1.00 0.00 C ATOM 0 H VAL A 72 171.573 0.401 2.991 1.00 0.00 H new ATOM 0 HA VAL A 72 172.468 2.553 1.176 1.00 0.00 H new ATOM 0 HB VAL A 72 171.297 -0.092 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 72 170.115 0.757 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.372 1.321 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.388 2.425 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.530 0.343 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.918 1.981 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.567 0.560 -0.166 1.00 0.00 H new ATOM 1113 N TRP A 73 170.306 3.759 1.543 1.00 0.00 N ATOM 1114 CA TRP A 73 169.122 4.519 1.923 1.00 0.00 C ATOM 1115 C TRP A 73 168.365 5.027 0.705 1.00 0.00 C ATOM 1116 O TRP A 73 168.959 5.544 -0.242 1.00 0.00 O ATOM 1117 CB TRP A 73 169.516 5.689 2.827 1.00 0.00 C ATOM 1118 CG TRP A 73 169.516 5.325 4.278 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.773 4.094 4.804 1.00 0.00 C ATOM 1120 CD2 TRP A 73 169.241 6.188 5.389 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.673 4.134 6.172 1.00 0.00 N ATOM 1122 CE2 TRP A 73 169.347 5.407 6.556 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.916 7.541 5.512 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 169.136 5.933 7.826 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.708 8.064 6.775 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.818 7.260 7.918 1.00 0.00 C ATOM 0 H TRP A 73 170.999 4.288 1.014 1.00 0.00 H new ATOM 0 HA TRP A 73 168.458 3.849 2.469 1.00 0.00 H new ATOM 0 HB2 TRP A 73 170.508 6.042 2.545 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.825 6.517 2.665 1.00 0.00 H new ATOM 0 HD1 TRP A 73 170.020 3.215 4.228 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.818 3.344 6.801 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.829 8.167 4.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 169.220 5.316 8.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.457 9.109 6.883 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.648 7.697 8.891 1.00 0.00 H new ATOM 1137 N VAL A 74 167.044 4.885 0.746 1.00 0.00 N ATOM 1138 CA VAL A 74 166.191 5.337 -0.342 1.00 0.00 C ATOM 1139 C VAL A 74 165.094 6.256 0.178 1.00 0.00 C ATOM 1140 O VAL A 74 164.178 5.820 0.875 1.00 0.00 O ATOM 1141 CB VAL A 74 165.546 4.161 -1.094 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.778 4.671 -2.305 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.601 3.145 -1.505 1.00 0.00 C ATOM 0 H VAL A 74 166.542 4.459 1.525 1.00 0.00 H new ATOM 0 HA VAL A 74 166.831 5.882 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 74 164.843 3.662 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.326 3.830 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.997 5.357 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.461 5.192 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 74 166.125 2.321 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.332 3.623 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 74 167.103 2.763 -0.617 1.00 0.00 H new ATOM 1153 N GLY A 75 165.211 7.532 -0.154 1.00 0.00 N ATOM 1154 CA GLY A 75 164.237 8.510 0.295 1.00 0.00 C ATOM 1155 C GLY A 75 163.617 9.293 -0.840 1.00 0.00 C ATOM 1156 O GLY A 75 163.270 8.732 -1.878 1.00 0.00 O ATOM 0 H GLY A 75 165.964 7.911 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 75 163.449 8.001 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.718 9.202 0.986 1.00 0.00 H new ATOM 1160 N LEU A 76 163.489 10.599 -0.641 1.00 0.00 N ATOM 1161 CA LEU A 76 162.917 11.477 -1.658 1.00 0.00 C ATOM 1162 C LEU A 76 163.662 12.806 -1.673 1.00 0.00 C ATOM 1163 O LEU A 76 163.081 13.868 -1.450 1.00 0.00 O ATOM 1164 CB LEU A 76 161.408 11.695 -1.425 1.00 0.00 C ATOM 1165 CG LEU A 76 160.496 11.235 -2.568 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.906 9.856 -3.067 1.00 0.00 C ATOM 1167 CD2 LEU A 76 159.041 11.229 -2.118 1.00 0.00 C ATOM 0 H LEU A 76 163.773 11.075 0.215 1.00 0.00 H new ATOM 0 HA LEU A 76 163.030 10.998 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.118 11.168 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.234 12.756 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 76 160.601 11.940 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.244 9.551 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.933 9.891 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.834 9.137 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.407 10.900 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 76 158.924 10.548 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 76 158.750 12.235 -1.815 1.00 0.00 H new ATOM 1179 N VAL A 77 164.966 12.726 -1.924 1.00 0.00 N ATOM 1180 CA VAL A 77 165.825 13.911 -1.956 1.00 0.00 C ATOM 1181 C VAL A 77 165.209 15.038 -2.774 1.00 0.00 C ATOM 1182 O VAL A 77 164.602 14.810 -3.821 1.00 0.00 O ATOM 1183 CB VAL A 77 167.248 13.619 -2.511 1.00 0.00 C ATOM 1184 CG1 VAL A 77 168.307 13.909 -1.457 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.378 12.188 -3.015 1.00 0.00 C ATOM 0 H VAL A 77 165.455 11.850 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 77 165.916 14.218 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 77 167.406 14.283 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 77 169.295 13.698 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 77 168.252 14.958 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 77 168.134 13.279 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.387 12.026 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 77 167.182 11.495 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.658 12.017 -3.815 1.00 0.00 H new ATOM 1195 N ASN A 78 165.397 16.256 -2.286 1.00 0.00 N ATOM 1196 CA ASN A 78 164.896 17.445 -2.952 1.00 0.00 C ATOM 1197 C ASN A 78 165.951 17.955 -3.932 1.00 0.00 C ATOM 1198 O ASN A 78 166.474 17.182 -4.735 1.00 0.00 O ATOM 1199 CB ASN A 78 164.534 18.505 -1.903 1.00 0.00 C ATOM 1200 CG ASN A 78 163.613 19.578 -2.450 1.00 0.00 C ATOM 1201 OD1 ASN A 78 162.591 19.281 -3.068 1.00 0.00 O ATOM 1202 ND2 ASN A 78 163.975 20.835 -2.222 1.00 0.00 N ATOM 0 H ASN A 78 165.900 16.445 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 78 163.993 17.213 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 78 164.055 18.020 -1.052 1.00 0.00 H new ATOM 0 HB3 ASN A 78 165.447 18.970 -1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 78 163.397 21.602 -2.564 1.00 0.00 H new ATOM 0 HD22 ASN A 78 164.831 21.033 -1.705 1.00 0.00 H new ATOM 1209 N GLU A 79 166.279 19.235 -3.865 1.00 0.00 N ATOM 1210 CA GLU A 79 167.276 19.801 -4.736 1.00 0.00 C ATOM 1211 C GLU A 79 168.590 19.958 -3.989 1.00 0.00 C ATOM 1212 O GLU A 79 168.714 19.575 -2.825 1.00 0.00 O ATOM 1213 CB GLU A 79 166.811 21.154 -5.278 1.00 0.00 C ATOM 1214 CG GLU A 79 167.056 21.330 -6.767 1.00 0.00 C ATOM 1215 CD GLU A 79 165.942 20.743 -7.612 1.00 0.00 C ATOM 1216 OE1 GLU A 79 165.962 19.518 -7.852 1.00 0.00 O ATOM 1217 OE2 GLU A 79 165.050 21.509 -8.033 1.00 0.00 O ATOM 0 H GLU A 79 165.863 19.898 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 79 167.426 19.126 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 79 165.746 21.270 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 79 167.325 21.949 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 79 167.158 22.392 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 79 168.000 20.855 -7.035 1.00 0.00 H new ATOM 1224 N GLN A 80 169.554 20.531 -4.677 1.00 0.00 N ATOM 1225 CA GLN A 80 170.894 20.779 -4.140 1.00 0.00 C ATOM 1226 C GLN A 80 171.434 19.621 -3.287 1.00 0.00 C ATOM 1227 O GLN A 80 172.369 19.810 -2.510 1.00 0.00 O ATOM 1228 CB GLN A 80 170.927 22.089 -3.341 1.00 0.00 C ATOM 1229 CG GLN A 80 169.773 22.272 -2.364 1.00 0.00 C ATOM 1230 CD GLN A 80 170.076 21.712 -0.988 1.00 0.00 C ATOM 1231 OE1 GLN A 80 171.060 20.998 -0.799 1.00 0.00 O ATOM 1232 NE2 GLN A 80 169.229 22.039 -0.019 1.00 0.00 N ATOM 0 H GLN A 80 169.437 20.846 -5.640 1.00 0.00 H new ATOM 0 HA GLN A 80 171.554 20.864 -5.004 1.00 0.00 H new ATOM 0 HB2 GLN A 80 171.864 22.136 -2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 80 170.928 22.925 -4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 80 169.541 23.334 -2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 80 168.884 21.783 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 80 168.426 22.634 -0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 80 169.381 21.695 0.929 1.00 0.00 H new ATOM 1241 N ASP A 81 170.863 18.423 -3.437 1.00 0.00 N ATOM 1242 CA ASP A 81 171.317 17.256 -2.681 1.00 0.00 C ATOM 1243 C ASP A 81 170.890 17.327 -1.216 1.00 0.00 C ATOM 1244 O ASP A 81 171.699 17.618 -0.335 1.00 0.00 O ATOM 1245 CB ASP A 81 172.839 17.116 -2.772 1.00 0.00 C ATOM 1246 CG ASP A 81 173.291 15.670 -2.714 1.00 0.00 C ATOM 1247 OD1 ASP A 81 173.396 15.124 -1.596 1.00 0.00 O ATOM 1248 OD2 ASP A 81 173.540 15.083 -3.788 1.00 0.00 O ATOM 0 H ASP A 81 170.088 18.237 -4.073 1.00 0.00 H new ATOM 0 HA ASP A 81 170.847 16.380 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 81 173.188 17.566 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 81 173.302 17.671 -1.956 1.00 0.00 H new ATOM 1253 N GLU A 82 169.616 17.043 -0.964 1.00 0.00 N ATOM 1254 CA GLU A 82 169.075 17.055 0.390 1.00 0.00 C ATOM 1255 C GLU A 82 167.902 16.089 0.498 1.00 0.00 C ATOM 1256 O GLU A 82 166.935 16.194 -0.254 1.00 0.00 O ATOM 1257 CB GLU A 82 168.625 18.463 0.776 1.00 0.00 C ATOM 1258 CG GLU A 82 169.658 19.230 1.584 1.00 0.00 C ATOM 1259 CD GLU A 82 169.037 20.044 2.701 1.00 0.00 C ATOM 1260 OE1 GLU A 82 167.999 20.694 2.456 1.00 0.00 O ATOM 1261 OE2 GLU A 82 169.588 20.032 3.822 1.00 0.00 O ATOM 0 H GLU A 82 168.936 16.800 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 82 169.861 16.738 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 82 168.395 19.023 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 82 167.702 18.396 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 82 170.377 18.528 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 82 170.213 19.894 0.921 1.00 0.00 H new ATOM 1268 N MET A 83 167.985 15.149 1.432 1.00 0.00 N ATOM 1269 CA MET A 83 166.919 14.173 1.622 1.00 0.00 C ATOM 1270 C MET A 83 166.053 14.549 2.812 1.00 0.00 C ATOM 1271 O MET A 83 164.910 14.978 2.655 1.00 0.00 O ATOM 1272 CB MET A 83 167.514 12.772 1.819 1.00 0.00 C ATOM 1273 CG MET A 83 166.485 11.652 1.782 1.00 0.00 C ATOM 1274 SD MET A 83 167.177 10.058 2.267 1.00 0.00 S ATOM 1275 CE MET A 83 167.446 9.294 0.669 1.00 0.00 C ATOM 0 H MET A 83 168.776 15.042 2.067 1.00 0.00 H new ATOM 0 HA MET A 83 166.293 14.168 0.730 1.00 0.00 H new ATOM 0 HB2 MET A 83 168.259 12.593 1.044 1.00 0.00 H new ATOM 0 HB3 MET A 83 168.035 12.741 2.776 1.00 0.00 H new ATOM 0 HG2 MET A 83 165.657 11.902 2.446 1.00 0.00 H new ATOM 0 HG3 MET A 83 166.074 11.574 0.775 1.00 0.00 H new ATOM 0 HE1 MET A 83 167.420 8.210 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 83 166.664 9.610 -0.022 1.00 0.00 H new ATOM 0 HE3 MET A 83 168.418 9.597 0.280 1.00 0.00 H new ATOM 1285 N ASP A 84 166.610 14.385 4.002 1.00 0.00 N ATOM 1286 CA ASP A 84 165.902 14.706 5.242 1.00 0.00 C ATOM 1287 C ASP A 84 164.767 13.716 5.526 1.00 0.00 C ATOM 1288 O ASP A 84 164.301 13.611 6.660 1.00 0.00 O ATOM 1289 CB ASP A 84 165.344 16.130 5.182 1.00 0.00 C ATOM 1290 CG ASP A 84 165.396 16.828 6.527 1.00 0.00 C ATOM 1291 OD1 ASP A 84 166.511 17.160 6.981 1.00 0.00 O ATOM 1292 OD2 ASP A 84 164.321 17.043 7.126 1.00 0.00 O ATOM 0 H ASP A 84 167.556 14.030 4.140 1.00 0.00 H new ATOM 0 HA ASP A 84 166.623 14.630 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 84 165.911 16.709 4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 84 164.312 16.099 4.832 1.00 0.00 H new ATOM 1297 N ASP A 85 164.322 12.996 4.497 1.00 0.00 N ATOM 1298 CA ASP A 85 163.245 12.028 4.648 1.00 0.00 C ATOM 1299 C ASP A 85 163.542 10.764 3.848 1.00 0.00 C ATOM 1300 O ASP A 85 163.610 10.793 2.617 1.00 0.00 O ATOM 1301 CB ASP A 85 161.917 12.636 4.192 1.00 0.00 C ATOM 1302 CG ASP A 85 161.109 13.192 5.348 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.018 12.511 6.391 1.00 0.00 O ATOM 1304 OD2 ASP A 85 160.568 14.310 5.211 1.00 0.00 O ATOM 0 H ASP A 85 164.694 13.068 3.550 1.00 0.00 H new ATOM 0 HA ASP A 85 163.169 11.762 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.113 13.432 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.331 11.876 3.675 1.00 0.00 H new ATOM 1309 N VAL A 86 163.716 9.658 4.559 1.00 0.00 N ATOM 1310 CA VAL A 86 164.006 8.376 3.926 1.00 0.00 C ATOM 1311 C VAL A 86 162.748 7.512 3.866 1.00 0.00 C ATOM 1312 O VAL A 86 161.876 7.604 4.729 1.00 0.00 O ATOM 1313 CB VAL A 86 165.141 7.614 4.664 1.00 0.00 C ATOM 1314 CG1 VAL A 86 165.160 7.965 6.144 1.00 0.00 C ATOM 1315 CG2 VAL A 86 165.017 6.107 4.469 1.00 0.00 C ATOM 0 H VAL A 86 163.661 9.622 5.577 1.00 0.00 H new ATOM 0 HA VAL A 86 164.347 8.583 2.911 1.00 0.00 H new ATOM 0 HB VAL A 86 166.088 7.930 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.964 7.418 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 86 165.324 9.036 6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 86 164.206 7.693 6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.826 5.604 4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.059 5.767 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.077 5.871 3.406 1.00 0.00 H new ATOM 1325 N PHE A 87 162.667 6.676 2.838 1.00 0.00 N ATOM 1326 CA PHE A 87 161.522 5.794 2.655 1.00 0.00 C ATOM 1327 C PHE A 87 161.823 4.406 3.203 1.00 0.00 C ATOM 1328 O PHE A 87 160.949 3.737 3.754 1.00 0.00 O ATOM 1329 CB PHE A 87 161.162 5.699 1.172 1.00 0.00 C ATOM 1330 CG PHE A 87 160.043 6.611 0.768 1.00 0.00 C ATOM 1331 CD1 PHE A 87 160.283 7.949 0.502 1.00 0.00 C ATOM 1332 CD2 PHE A 87 158.753 6.129 0.654 1.00 0.00 C ATOM 1333 CE1 PHE A 87 159.252 8.789 0.128 1.00 0.00 C ATOM 1334 CE2 PHE A 87 157.718 6.962 0.282 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.967 8.296 0.018 1.00 0.00 C ATOM 0 H PHE A 87 163.383 6.591 2.117 1.00 0.00 H new ATOM 0 HA PHE A 87 160.676 6.210 3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 87 162.044 5.934 0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.884 4.671 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 87 161.286 8.339 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 87 158.553 5.088 0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 87 159.451 9.830 -0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 87 156.714 6.572 0.197 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.159 8.951 -0.273 1.00 0.00 H new ATOM 1345 N ALA A 88 163.069 3.982 3.040 1.00 0.00 N ATOM 1346 CA ALA A 88 163.499 2.675 3.509 1.00 0.00 C ATOM 1347 C ALA A 88 165.014 2.616 3.640 1.00 0.00 C ATOM 1348 O ALA A 88 165.724 3.489 3.143 1.00 0.00 O ATOM 1349 CB ALA A 88 163.009 1.591 2.559 1.00 0.00 C ATOM 0 H ALA A 88 163.801 4.528 2.585 1.00 0.00 H new ATOM 0 HA ALA A 88 163.066 2.505 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 88 163.337 0.616 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.920 1.613 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 88 163.419 1.766 1.564 1.00 0.00 H new ATOM 1355 N LYS A 89 165.504 1.568 4.289 1.00 0.00 N ATOM 1356 CA LYS A 89 166.938 1.371 4.464 1.00 0.00 C ATOM 1357 C LYS A 89 167.279 -0.050 4.035 1.00 0.00 C ATOM 1358 O LYS A 89 166.453 -0.949 4.175 1.00 0.00 O ATOM 1359 CB LYS A 89 167.371 1.615 5.922 1.00 0.00 C ATOM 1360 CG LYS A 89 166.275 2.175 6.826 1.00 0.00 C ATOM 1361 CD LYS A 89 166.642 3.535 7.394 1.00 0.00 C ATOM 1362 CE LYS A 89 166.808 3.485 8.906 1.00 0.00 C ATOM 1363 NZ LYS A 89 168.207 3.165 9.305 1.00 0.00 N ATOM 0 H LYS A 89 164.926 0.837 4.705 1.00 0.00 H new ATOM 0 HA LYS A 89 167.477 2.092 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.726 0.675 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 89 168.215 2.305 5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 89 165.347 2.257 6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 89 166.090 1.479 7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 89 167.569 3.883 6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 89 165.868 4.258 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 89 166.520 4.445 9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 89 166.133 2.736 9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 168.429 3.640 10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 168.308 2.137 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 168.862 3.495 8.568 1.00 0.00 H new ATOM 1377 N PHE A 90 168.468 -0.259 3.481 1.00 0.00 N ATOM 1378 CA PHE A 90 168.838 -1.591 3.012 1.00 0.00 C ATOM 1379 C PHE A 90 170.210 -2.034 3.506 1.00 0.00 C ATOM 1380 O PHE A 90 171.182 -1.279 3.462 1.00 0.00 O ATOM 1381 CB PHE A 90 168.804 -1.632 1.483 1.00 0.00 C ATOM 1382 CG PHE A 90 167.443 -1.361 0.911 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.830 -0.133 1.101 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.773 -2.335 0.189 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.575 0.119 0.582 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.517 -2.089 -0.334 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.918 -0.860 -0.137 1.00 0.00 C ATOM 0 H PHE A 90 169.180 0.459 3.347 1.00 0.00 H new ATOM 0 HA PHE A 90 168.108 -2.287 3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.508 -0.898 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 90 169.144 -2.611 1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.340 0.637 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 90 167.237 -3.298 0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.108 1.080 0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 90 165.005 -2.856 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.937 -0.665 -0.545 1.00 0.00 H new ATOM 1397 N LEU A 91 170.273 -3.286 3.948 1.00 0.00 N ATOM 1398 CA LEU A 91 171.512 -3.884 4.426 1.00 0.00 C ATOM 1399 C LEU A 91 171.740 -5.211 3.718 1.00 0.00 C ATOM 1400 O LEU A 91 170.828 -6.030 3.615 1.00 0.00 O ATOM 1401 CB LEU A 91 171.470 -4.103 5.937 1.00 0.00 C ATOM 1402 CG LEU A 91 170.850 -2.964 6.747 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.250 -3.497 8.037 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.890 -1.894 7.042 1.00 0.00 C ATOM 0 H LEU A 91 169.468 -3.912 3.984 1.00 0.00 H new ATOM 0 HA LEU A 91 172.333 -3.202 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 91 170.911 -5.017 6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.488 -4.267 6.292 1.00 0.00 H new ATOM 0 HG LEU A 91 170.052 -2.513 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.813 -2.674 8.602 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.476 -4.228 7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 91 171.030 -3.972 8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.432 -1.091 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.709 -2.330 7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 91 172.275 -1.493 6.105 1.00 0.00 H new ATOM 1416 N ILE A 92 172.948 -5.415 3.210 1.00 0.00 N ATOM 1417 CA ILE A 92 173.258 -6.648 2.490 1.00 0.00 C ATOM 1418 C ILE A 92 174.673 -7.143 2.779 1.00 0.00 C ATOM 1419 O ILE A 92 175.643 -6.390 2.686 1.00 0.00 O ATOM 1420 CB ILE A 92 173.085 -6.474 0.960 1.00 0.00 C ATOM 1421 CG1 ILE A 92 172.495 -5.095 0.633 1.00 0.00 C ATOM 1422 CG2 ILE A 92 172.204 -7.585 0.397 1.00 0.00 C ATOM 1423 CD1 ILE A 92 171.995 -4.961 -0.789 1.00 0.00 C ATOM 0 H ILE A 92 173.722 -4.754 3.280 1.00 0.00 H new ATOM 0 HA ILE A 92 172.548 -7.392 2.850 1.00 0.00 H new ATOM 0 HB ILE A 92 174.067 -6.541 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 92 171.671 -4.892 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.254 -4.334 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 92 172.091 -7.450 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 92 172.667 -8.552 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.224 -7.548 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 92 171.594 -3.959 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 92 172.819 -5.131 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.212 -5.697 -0.970 1.00 0.00 H new ATOM 1435 N SER A 93 174.772 -8.423 3.126 1.00 0.00 N ATOM 1436 CA SER A 93 176.058 -9.046 3.427 1.00 0.00 C ATOM 1437 C SER A 93 177.039 -8.857 2.273 1.00 0.00 C ATOM 1438 O SER A 93 176.682 -9.029 1.108 1.00 0.00 O ATOM 1439 CB SER A 93 175.869 -10.538 3.717 1.00 0.00 C ATOM 1440 OG SER A 93 176.185 -10.839 5.065 1.00 0.00 O ATOM 0 H SER A 93 173.973 -9.052 3.206 1.00 0.00 H new ATOM 0 HA SER A 93 176.471 -8.561 4.311 1.00 0.00 H new ATOM 0 HB2 SER A 93 174.838 -10.824 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 93 176.503 -11.124 3.052 1.00 0.00 H new ATOM 0 HG SER A 93 176.119 -10.025 5.606 1.00 0.00 H new ATOM 1446 N HIS A 94 178.275 -8.501 2.607 1.00 0.00 N ATOM 1447 CA HIS A 94 179.308 -8.288 1.597 1.00 0.00 C ATOM 1448 C HIS A 94 179.816 -9.617 1.042 1.00 0.00 C ATOM 1449 O HIS A 94 180.383 -9.666 -0.050 1.00 0.00 O ATOM 1450 CB HIS A 94 180.477 -7.492 2.185 1.00 0.00 C ATOM 1451 CG HIS A 94 180.221 -6.018 2.278 1.00 0.00 C ATOM 1452 ND1 HIS A 94 180.751 -5.107 1.391 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.497 -5.296 3.165 1.00 0.00 C ATOM 1454 CE1 HIS A 94 180.367 -3.888 1.729 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.604 -3.977 2.801 1.00 0.00 N ATOM 0 H HIS A 94 178.586 -8.354 3.567 1.00 0.00 H new ATOM 0 HA HIS A 94 178.863 -7.719 0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.701 -7.876 3.180 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.363 -7.659 1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 94 178.939 -5.686 4.003 1.00 0.00 H new ATOM 0 HE1 HIS A 94 180.633 -2.976 1.215 1.00 0.00 H new ATOM 0 HE2 HIS A 94 179.164 -3.192 3.282 1.00 0.00 H new ATOM 1464 N ARG A 95 179.613 -10.693 1.799 1.00 0.00 N ATOM 1465 CA ARG A 95 180.053 -12.021 1.383 1.00 0.00 C ATOM 1466 C ARG A 95 179.542 -12.361 -0.015 1.00 0.00 C ATOM 1467 O ARG A 95 178.763 -11.610 -0.602 1.00 0.00 O ATOM 1468 CB ARG A 95 179.569 -13.074 2.381 1.00 0.00 C ATOM 1469 CG ARG A 95 180.481 -13.237 3.586 1.00 0.00 C ATOM 1470 CD ARG A 95 180.017 -12.389 4.761 1.00 0.00 C ATOM 1471 NE ARG A 95 179.699 -13.202 5.933 1.00 0.00 N ATOM 1472 CZ ARG A 95 178.517 -13.781 6.139 1.00 0.00 C ATOM 1473 NH1 ARG A 95 177.536 -13.643 5.256 1.00 0.00 N ATOM 1474 NH2 ARG A 95 178.316 -14.503 7.233 1.00 0.00 N ATOM 0 H ARG A 95 179.146 -10.670 2.705 1.00 0.00 H new ATOM 0 HA ARG A 95 181.143 -12.019 1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 95 178.571 -12.804 2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 95 179.481 -14.033 1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 95 180.509 -14.286 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 95 181.498 -12.956 3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 95 180.795 -11.671 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 95 179.138 -11.815 4.469 1.00 0.00 H new ATOM 0 HE ARG A 95 180.426 -13.334 6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 95 177.684 -13.090 4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 95 176.634 -14.090 5.422 1.00 0.00 H new ATOM 0 HH21 ARG A 95 179.066 -14.614 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 95 177.412 -14.947 7.392 1.00 0.00 H new ATOM 1488 N GLU A 96 179.987 -13.498 -0.542 1.00 0.00 N ATOM 1489 CA GLU A 96 179.577 -13.939 -1.870 1.00 0.00 C ATOM 1490 C GLU A 96 178.576 -15.087 -1.779 1.00 0.00 C ATOM 1491 O GLU A 96 177.462 -14.994 -2.294 1.00 0.00 O ATOM 1492 CB GLU A 96 180.796 -14.374 -2.685 1.00 0.00 C ATOM 1493 CG GLU A 96 180.689 -14.043 -4.165 1.00 0.00 C ATOM 1494 CD GLU A 96 181.549 -12.860 -4.562 1.00 0.00 C ATOM 1495 OE1 GLU A 96 182.790 -13.001 -4.561 1.00 0.00 O ATOM 1496 OE2 GLU A 96 180.982 -11.792 -4.875 1.00 0.00 O ATOM 0 H GLU A 96 180.632 -14.131 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 96 179.094 -13.099 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 96 181.685 -13.893 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 96 180.934 -15.449 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 96 180.983 -14.914 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 96 179.649 -13.830 -4.411 1.00 0.00 H new ATOM 1503 N GLU A 97 178.978 -16.167 -1.116 1.00 0.00 N ATOM 1504 CA GLU A 97 178.113 -17.331 -0.953 1.00 0.00 C ATOM 1505 C GLU A 97 177.176 -17.140 0.233 1.00 0.00 C ATOM 1506 O GLU A 97 177.620 -16.896 1.354 1.00 0.00 O ATOM 1507 CB GLU A 97 178.954 -18.596 -0.762 1.00 0.00 C ATOM 1508 CG GLU A 97 178.961 -19.512 -1.975 1.00 0.00 C ATOM 1509 CD GLU A 97 179.630 -20.843 -1.696 1.00 0.00 C ATOM 1510 OE1 GLU A 97 179.130 -21.588 -0.827 1.00 0.00 O ATOM 1511 OE2 GLU A 97 180.654 -21.141 -2.346 1.00 0.00 O ATOM 0 H GLU A 97 179.897 -16.261 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 97 177.512 -17.441 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 97 179.979 -18.309 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 97 178.574 -19.148 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 97 177.935 -19.686 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 97 179.476 -19.016 -2.797 1.00 0.00 H new ATOM 1518 N ASP A 98 175.876 -17.241 -0.024 1.00 0.00 N ATOM 1519 CA ASP A 98 174.880 -17.066 1.025 1.00 0.00 C ATOM 1520 C ASP A 98 174.936 -15.644 1.567 1.00 0.00 C ATOM 1521 O ASP A 98 175.903 -15.258 2.223 1.00 0.00 O ATOM 1522 CB ASP A 98 175.109 -18.071 2.157 1.00 0.00 C ATOM 1523 CG ASP A 98 174.231 -19.300 2.026 1.00 0.00 C ATOM 1524 OD1 ASP A 98 172.991 -19.148 2.039 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.783 -20.415 1.911 1.00 0.00 O ATOM 0 H ASP A 98 175.489 -17.442 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 98 173.893 -17.244 0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.156 -18.375 2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 98 174.912 -17.587 3.114 1.00 0.00 H new ATOM 1530 N ARG A 99 173.899 -14.865 1.284 1.00 0.00 N ATOM 1531 CA ARG A 99 173.840 -13.482 1.740 1.00 0.00 C ATOM 1532 C ARG A 99 172.470 -13.151 2.322 1.00 0.00 C ATOM 1533 O ARG A 99 171.439 -13.562 1.789 1.00 0.00 O ATOM 1534 CB ARG A 99 174.158 -12.529 0.585 1.00 0.00 C ATOM 1535 CG ARG A 99 173.490 -12.917 -0.726 1.00 0.00 C ATOM 1536 CD ARG A 99 172.694 -11.762 -1.313 1.00 0.00 C ATOM 1537 NE ARG A 99 172.404 -11.964 -2.731 1.00 0.00 N ATOM 1538 CZ ARG A 99 171.444 -11.319 -3.390 1.00 0.00 C ATOM 1539 NH1 ARG A 99 170.681 -10.430 -2.766 1.00 0.00 N ATOM 1540 NH2 ARG A 99 171.246 -11.564 -4.679 1.00 0.00 N ATOM 0 H ARG A 99 173.089 -15.167 0.742 1.00 0.00 H new ATOM 0 HA ARG A 99 174.585 -13.357 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 99 173.844 -11.522 0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 99 175.238 -12.497 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 99 174.248 -13.237 -1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 99 172.829 -13.768 -0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 99 171.759 -11.649 -0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 99 173.252 -10.835 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 99 172.970 -12.638 -3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 99 170.828 -10.237 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 99 169.947 -9.939 -3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 99 171.829 -12.246 -5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 99 170.511 -11.070 -5.185 1.00 0.00 H new ATOM 1554 N GLU A 100 172.471 -12.398 3.416 1.00 0.00 N ATOM 1555 CA GLU A 100 171.234 -11.997 4.076 1.00 0.00 C ATOM 1556 C GLU A 100 170.996 -10.502 3.898 1.00 0.00 C ATOM 1557 O GLU A 100 171.937 -9.709 3.928 1.00 0.00 O ATOM 1558 CB GLU A 100 171.288 -12.344 5.565 1.00 0.00 C ATOM 1559 CG GLU A 100 171.328 -13.839 5.840 1.00 0.00 C ATOM 1560 CD GLU A 100 170.147 -14.573 5.236 1.00 0.00 C ATOM 1561 OE1 GLU A 100 170.208 -14.909 4.035 1.00 0.00 O ATOM 1562 OE2 GLU A 100 169.160 -14.811 5.964 1.00 0.00 O ATOM 0 H GLU A 100 173.318 -12.052 3.866 1.00 0.00 H new ATOM 0 HA GLU A 100 170.408 -12.541 3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.169 -11.878 6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.418 -11.915 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 100 172.253 -14.254 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 100 171.344 -14.007 6.917 1.00 0.00 H new ATOM 1569 N PHE A 101 169.737 -10.121 3.711 1.00 0.00 N ATOM 1570 CA PHE A 101 169.389 -8.718 3.527 1.00 0.00 C ATOM 1571 C PHE A 101 168.154 -8.349 4.344 1.00 0.00 C ATOM 1572 O PHE A 101 167.217 -9.138 4.465 1.00 0.00 O ATOM 1573 CB PHE A 101 169.145 -8.419 2.046 1.00 0.00 C ATOM 1574 CG PHE A 101 167.940 -9.116 1.481 1.00 0.00 C ATOM 1575 CD1 PHE A 101 167.987 -10.465 1.167 1.00 0.00 C ATOM 1576 CD2 PHE A 101 166.760 -8.423 1.266 1.00 0.00 C ATOM 1577 CE1 PHE A 101 166.880 -11.109 0.648 1.00 0.00 C ATOM 1578 CE2 PHE A 101 165.650 -9.061 0.747 1.00 0.00 C ATOM 1579 CZ PHE A 101 165.710 -10.406 0.438 1.00 0.00 C ATOM 0 H PHE A 101 168.944 -10.762 3.683 1.00 0.00 H new ATOM 0 HA PHE A 101 170.226 -8.115 3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.026 -7.343 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 101 170.025 -8.713 1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 101 168.899 -11.019 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 101 166.707 -7.372 1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 101 166.930 -12.161 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 101 164.736 -8.509 0.583 1.00 0.00 H new ATOM 0 HZ PHE A 101 164.843 -10.907 0.033 1.00 0.00 H new ATOM 1589 N HIS A 102 168.159 -7.140 4.896 1.00 0.00 N ATOM 1590 CA HIS A 102 167.039 -6.657 5.696 1.00 0.00 C ATOM 1591 C HIS A 102 166.721 -5.210 5.336 1.00 0.00 C ATOM 1592 O HIS A 102 167.620 -4.376 5.225 1.00 0.00 O ATOM 1593 CB HIS A 102 167.321 -6.789 7.203 1.00 0.00 C ATOM 1594 CG HIS A 102 168.773 -6.915 7.577 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.323 -6.261 8.659 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.785 -7.633 7.026 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.604 -6.569 8.756 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.908 -7.400 7.778 1.00 0.00 N ATOM 0 H HIS A 102 168.928 -6.476 4.804 1.00 0.00 H new ATOM 0 HA HIS A 102 166.173 -7.278 5.469 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.906 -5.918 7.711 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.789 -7.662 7.580 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.718 -8.270 6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 102 171.287 -6.202 9.508 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.829 -7.804 7.608 1.00 0.00 H new ATOM 1607 N VAL A 103 165.439 -4.923 5.124 1.00 0.00 N ATOM 1608 CA VAL A 103 165.016 -3.580 4.740 1.00 0.00 C ATOM 1609 C VAL A 103 164.006 -2.972 5.714 1.00 0.00 C ATOM 1610 O VAL A 103 163.135 -3.665 6.240 1.00 0.00 O ATOM 1611 CB VAL A 103 164.394 -3.583 3.330 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.113 -4.404 3.309 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.132 -2.162 2.856 1.00 0.00 C ATOM 0 H VAL A 103 164.679 -5.598 5.211 1.00 0.00 H new ATOM 0 HA VAL A 103 165.918 -2.969 4.757 1.00 0.00 H new ATOM 0 HB VAL A 103 165.104 -4.045 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.690 -4.393 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.334 -5.431 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.395 -3.977 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.693 -2.186 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.444 -1.670 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 103 165.071 -1.610 2.826 1.00 0.00 H new ATOM 1623 N ILE A 104 164.115 -1.659 5.913 1.00 0.00 N ATOM 1624 CA ILE A 104 163.196 -0.928 6.783 1.00 0.00 C ATOM 1625 C ILE A 104 162.163 -0.199 5.930 1.00 0.00 C ATOM 1626 O ILE A 104 162.515 0.422 4.929 1.00 0.00 O ATOM 1627 CB ILE A 104 163.921 0.120 7.659 1.00 0.00 C ATOM 1628 CG1 ILE A 104 165.037 -0.509 8.492 1.00 0.00 C ATOM 1629 CG2 ILE A 104 162.934 0.822 8.572 1.00 0.00 C ATOM 1630 CD1 ILE A 104 166.205 -0.990 7.673 1.00 0.00 C ATOM 0 H ILE A 104 164.834 -1.078 5.481 1.00 0.00 H new ATOM 0 HA ILE A 104 162.726 -1.660 7.440 1.00 0.00 H new ATOM 0 HB ILE A 104 164.373 0.848 6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 104 165.391 0.221 9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.629 -1.348 9.055 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.461 1.556 9.182 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.177 1.326 7.971 1.00 0.00 H new ATOM 0 HG23 ILE A 104 162.454 0.089 9.221 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.957 -1.424 8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.866 -1.744 6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 104 166.639 -0.150 7.130 1.00 0.00 H new ATOM 1642 N TRP A 105 160.894 -0.270 6.321 1.00 0.00 N ATOM 1643 CA TRP A 105 159.837 0.399 5.566 1.00 0.00 C ATOM 1644 C TRP A 105 159.143 1.471 6.412 1.00 0.00 C ATOM 1645 O TRP A 105 159.568 2.626 6.422 1.00 0.00 O ATOM 1646 CB TRP A 105 158.823 -0.624 5.038 1.00 0.00 C ATOM 1647 CG TRP A 105 159.437 -1.685 4.177 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.726 -2.969 4.539 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.836 -1.555 2.807 1.00 0.00 C ATOM 1650 NE1 TRP A 105 160.276 -3.646 3.478 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.354 -2.800 2.403 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.803 -0.510 1.881 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.833 -3.025 1.116 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.279 -0.733 0.606 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.788 -1.983 0.231 1.00 0.00 C ATOM 0 H TRP A 105 160.574 -0.777 7.146 1.00 0.00 H new ATOM 0 HA TRP A 105 160.296 0.899 4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 105 158.323 -1.097 5.883 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.056 -0.102 4.466 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.548 -3.391 5.517 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.577 -4.620 3.489 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.411 0.457 2.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 161.226 -3.988 0.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.259 0.070 -0.116 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.152 -2.127 -0.776 1.00 0.00 H new ATOM 1666 N LYS A 106 158.079 1.093 7.120 1.00 0.00 N ATOM 1667 CA LYS A 106 157.347 2.037 7.958 1.00 0.00 C ATOM 1668 C LYS A 106 156.182 1.349 8.662 1.00 0.00 C ATOM 1669 O LYS A 106 155.400 0.634 8.036 1.00 0.00 O ATOM 1670 CB LYS A 106 156.831 3.206 7.116 1.00 0.00 C ATOM 1671 CG LYS A 106 156.967 4.556 7.802 1.00 0.00 C ATOM 1672 CD LYS A 106 158.182 5.322 7.298 1.00 0.00 C ATOM 1673 CE LYS A 106 157.788 6.654 6.680 1.00 0.00 C ATOM 1674 NZ LYS A 106 158.048 7.793 7.604 1.00 0.00 N ATOM 0 H LYS A 106 157.707 0.143 7.129 1.00 0.00 H new ATOM 0 HA LYS A 106 158.032 2.419 8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 106 157.375 3.231 6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 106 155.782 3.034 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 106 156.067 5.145 7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 106 157.049 4.411 8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 106 158.873 5.494 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 106 158.711 4.720 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 106 158.344 6.803 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 106 156.730 6.634 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 157.766 8.683 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 157.498 7.664 8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 159.061 7.828 7.835 1.00 0.00 H new ATOM 1688 N LYS A 107 156.072 1.572 9.968 1.00 0.00 N ATOM 1689 CA LYS A 107 155.002 0.974 10.756 1.00 0.00 C ATOM 1690 C LYS A 107 153.810 1.920 10.860 1.00 0.00 C ATOM 1691 O LYS A 107 153.815 2.778 11.768 1.00 0.00 O ATOM 1692 CB LYS A 107 155.508 0.617 12.154 1.00 0.00 C ATOM 1693 CG LYS A 107 156.646 -0.390 12.150 1.00 0.00 C ATOM 1694 CD LYS A 107 156.936 -0.907 13.550 1.00 0.00 C ATOM 1695 CE LYS A 107 157.968 -2.023 13.529 1.00 0.00 C ATOM 1696 NZ LYS A 107 159.335 -1.520 13.839 1.00 0.00 N ATOM 1697 OXT LYS A 107 152.883 1.796 10.032 1.00 0.00 O ATOM 0 H LYS A 107 156.710 2.162 10.502 1.00 0.00 H new ATOM 0 HA LYS A 107 154.678 0.064 10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 107 155.841 1.527 12.654 1.00 0.00 H new ATOM 0 HB3 LYS A 107 154.681 0.216 12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 107 156.392 -1.225 11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 107 157.543 0.074 11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 107 157.296 -0.089 14.174 1.00 0.00 H new ATOM 0 HD3 LYS A 107 156.014 -1.271 14.003 1.00 0.00 H new ATOM 0 HE2 LYS A 107 157.690 -2.789 14.253 1.00 0.00 H new ATOM 0 HE3 LYS A 107 157.970 -2.498 12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 160.010 -2.311 13.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 159.611 -0.808 13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 159.340 -1.090 14.786 1.00 0.00 H new TER 1711 LYS A 107