USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 670 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= -0.101 (180deg=-0.452) USER MOD Single : A 11 MET CE :methyl -179:sc= -2.08 (180deg=-2.09) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -5.49! C(o=-5.5!,f=-10!) USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.689 USER MOD Single : A 37 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -6.74! C(o=-6.7!,f=-5!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -42:sc= 1.22 USER MOD Single : A 72 SER OG : rot -80:sc= 0.198 USER MOD Single : A 78 SER OG : rot -170:sc= -0.0771 USER MOD Single : A 79 ASN : amide:sc= -2.91! K(o=-2.9!,f=-0.89) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 165:sc= -0.638 (180deg=-1.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.920 17.421 6.556 1.00 0.00 N ATOM 2 CA MET A 1 10.763 16.760 7.214 1.00 0.00 C ATOM 3 C MET A 1 9.547 17.679 7.249 1.00 0.00 C ATOM 4 O MET A 1 9.605 18.780 7.798 1.00 0.00 O ATOM 5 CB MET A 1 11.171 16.372 8.637 1.00 0.00 C ATOM 6 CG MET A 1 10.873 14.922 8.982 1.00 0.00 C ATOM 7 SD MET A 1 11.836 14.330 10.387 1.00 0.00 S ATOM 8 CE MET A 1 12.569 12.848 9.699 1.00 0.00 C ATOM 0 H1 MET A 1 12.732 16.771 6.547 1.00 0.00 H new ATOM 0 H2 MET A 1 11.667 17.672 5.579 1.00 0.00 H new ATOM 0 H3 MET A 1 12.172 18.283 7.081 1.00 0.00 H new ATOM 0 HA MET A 1 10.486 15.873 6.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.238 16.555 8.762 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.652 17.019 9.344 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.811 14.816 9.204 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.081 14.296 8.114 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.195 12.369 10.452 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.781 12.161 9.392 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.178 13.111 8.834 1.00 0.00 H new ATOM 20 N GLY A 2 8.450 17.224 6.650 1.00 0.00 N ATOM 21 CA GLY A 2 7.233 18.019 6.623 1.00 0.00 C ATOM 22 C GLY A 2 6.154 17.387 5.766 1.00 0.00 C ATOM 23 O GLY A 2 5.050 17.920 5.649 1.00 0.00 O ATOM 0 H GLY A 2 8.381 16.320 6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.860 18.144 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.460 19.015 6.242 1.00 0.00 H new ATOM 27 N ASP A 3 6.503 16.283 5.115 1.00 0.00 N ATOM 28 CA ASP A 3 5.569 15.568 4.250 1.00 0.00 C ATOM 29 C ASP A 3 4.828 14.474 5.013 1.00 0.00 C ATOM 30 O ASP A 3 5.381 13.854 5.917 1.00 0.00 O ATOM 31 CB ASP A 3 6.314 14.960 3.060 1.00 0.00 C ATOM 32 CG ASP A 3 7.343 13.929 3.485 1.00 0.00 C ATOM 33 OD1 ASP A 3 8.246 14.281 4.272 1.00 0.00 O ATOM 34 OD2 ASP A 3 7.246 12.772 3.027 1.00 0.00 O ATOM 0 H ASP A 3 7.430 15.861 5.170 1.00 0.00 H new ATOM 0 HA ASP A 3 4.833 16.286 3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.596 14.495 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.809 15.754 2.501 1.00 0.00 H new ATOM 39 N VAL A 4 3.580 14.230 4.632 1.00 0.00 N ATOM 40 CA VAL A 4 2.786 13.176 5.258 1.00 0.00 C ATOM 41 C VAL A 4 2.839 11.896 4.429 1.00 0.00 C ATOM 42 O VAL A 4 2.337 11.853 3.308 1.00 0.00 O ATOM 43 CB VAL A 4 1.316 13.600 5.443 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.720 12.924 6.668 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.200 15.113 5.551 1.00 0.00 C ATOM 0 H VAL A 4 3.096 14.744 3.896 1.00 0.00 H new ATOM 0 HA VAL A 4 3.219 12.994 6.241 1.00 0.00 H new ATOM 0 HB VAL A 4 0.753 13.281 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.319 13.234 6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.764 11.842 6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.286 13.211 7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.154 15.389 5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.777 15.462 6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.587 15.573 4.642 1.00 0.00 H new ATOM 55 N VAL A 5 3.457 10.855 4.981 1.00 0.00 N ATOM 56 CA VAL A 5 3.588 9.586 4.271 1.00 0.00 C ATOM 57 C VAL A 5 2.710 8.501 4.892 1.00 0.00 C ATOM 58 O VAL A 5 2.877 8.150 6.056 1.00 0.00 O ATOM 59 CB VAL A 5 5.052 9.100 4.260 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.147 7.675 3.735 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.917 10.037 3.432 1.00 0.00 C ATOM 0 H VAL A 5 3.873 10.865 5.912 1.00 0.00 H new ATOM 0 HA VAL A 5 3.259 9.766 3.248 1.00 0.00 H new ATOM 0 HB VAL A 5 5.421 9.106 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.189 7.355 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.563 7.012 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.757 7.635 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.947 9.679 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.546 10.065 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.880 11.039 3.859 1.00 0.00 H new ATOM 71 N ALA A 6 1.796 7.952 4.095 1.00 0.00 N ATOM 72 CA ALA A 6 0.938 6.862 4.550 1.00 0.00 C ATOM 73 C ALA A 6 1.528 5.525 4.115 1.00 0.00 C ATOM 74 O ALA A 6 2.436 5.492 3.288 1.00 0.00 O ATOM 75 CB ALA A 6 -0.474 7.029 4.007 1.00 0.00 C ATOM 0 H ALA A 6 1.631 8.244 3.132 1.00 0.00 H new ATOM 0 HA ALA A 6 0.884 6.885 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.098 6.207 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.889 7.974 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.448 7.026 2.917 1.00 0.00 H new ATOM 81 N THR A 7 1.037 4.425 4.682 1.00 0.00 N ATOM 82 CA THR A 7 1.564 3.110 4.329 1.00 0.00 C ATOM 83 C THR A 7 0.474 2.039 4.286 1.00 0.00 C ATOM 84 O THR A 7 -0.304 1.866 5.236 1.00 0.00 O ATOM 85 CB THR A 7 2.670 2.700 5.296 1.00 0.00 C ATOM 86 OG1 THR A 7 3.574 3.771 5.507 1.00 0.00 O ATOM 87 CG2 THR A 7 3.471 1.510 4.812 1.00 0.00 C ATOM 0 H THR A 7 0.289 4.417 5.375 1.00 0.00 H new ATOM 0 HA THR A 7 1.978 3.191 3.324 1.00 0.00 H new ATOM 0 HB THR A 7 2.162 2.426 6.221 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.275 3.489 6.131 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.242 1.268 5.544 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.809 0.653 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.940 1.751 3.858 1.00 0.00 H new ATOM 95 N ILE A 8 0.468 1.298 3.177 1.00 0.00 N ATOM 96 CA ILE A 8 -0.503 0.238 2.935 1.00 0.00 C ATOM 97 C ILE A 8 0.209 -1.106 2.715 1.00 0.00 C ATOM 98 O ILE A 8 0.865 -1.303 1.694 1.00 0.00 O ATOM 99 CB ILE A 8 -1.356 0.578 1.693 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.847 2.032 1.756 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.522 -0.376 1.572 1.00 0.00 C ATOM 102 CD1 ILE A 8 -3.003 2.258 2.712 1.00 0.00 C ATOM 0 H ILE A 8 1.141 1.419 2.420 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.149 0.157 3.809 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.732 0.468 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.016 2.672 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.150 2.345 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.111 -0.121 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.149 -1.396 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.148 -0.301 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.288 3.310 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.853 1.647 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.700 1.979 3.721 1.00 0.00 H new ATOM 114 N LYS A 9 0.130 -2.003 3.704 1.00 0.00 N ATOM 115 CA LYS A 9 0.809 -3.306 3.628 1.00 0.00 C ATOM 116 C LYS A 9 -0.121 -4.405 3.123 1.00 0.00 C ATOM 117 O LYS A 9 -0.834 -5.034 3.899 1.00 0.00 O ATOM 118 CB LYS A 9 1.365 -3.702 4.992 1.00 0.00 C ATOM 119 CG LYS A 9 1.493 -2.542 5.970 1.00 0.00 C ATOM 120 CD LYS A 9 2.938 -2.132 6.171 1.00 0.00 C ATOM 121 CE LYS A 9 3.664 -3.081 7.113 1.00 0.00 C ATOM 122 NZ LYS A 9 3.102 -3.033 8.491 1.00 0.00 N ATOM 0 H LYS A 9 -0.395 -1.853 4.565 1.00 0.00 H new ATOM 0 HA LYS A 9 1.627 -3.197 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.718 -4.463 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.346 -4.158 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.922 -1.690 5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.059 -2.825 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.449 -2.113 5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.977 -1.119 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.595 -4.098 6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.723 -2.823 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.813 -3.377 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.845 -2.053 8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.255 -3.635 8.542 1.00 0.00 H new ATOM 136 N VAL A 10 -0.087 -4.648 1.823 1.00 0.00 N ATOM 137 CA VAL A 10 -0.984 -5.625 1.199 1.00 0.00 C ATOM 138 C VAL A 10 -0.348 -7.012 1.088 1.00 0.00 C ATOM 139 O VAL A 10 0.811 -7.145 0.700 1.00 0.00 O ATOM 140 CB VAL A 10 -1.454 -5.134 -0.197 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.972 -3.712 -0.453 1.00 0.00 C ATOM 142 CG2 VAL A 10 -1.005 -6.065 -1.317 1.00 0.00 C ATOM 0 H VAL A 10 0.550 -4.186 1.174 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.852 -5.716 1.852 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.544 -5.142 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.311 -3.384 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.377 -3.048 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.117 -3.685 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.358 -5.680 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.083 -6.123 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.419 -7.060 -1.152 1.00 0.00 H new ATOM 152 N MET A 11 -1.130 -8.047 1.413 1.00 0.00 N ATOM 153 CA MET A 11 -0.649 -9.426 1.331 1.00 0.00 C ATOM 154 C MET A 11 -1.769 -10.383 0.891 1.00 0.00 C ATOM 155 O MET A 11 -2.850 -10.418 1.489 1.00 0.00 O ATOM 156 CB MET A 11 -0.046 -9.867 2.676 1.00 0.00 C ATOM 157 CG MET A 11 -1.036 -10.509 3.641 1.00 0.00 C ATOM 158 SD MET A 11 -0.309 -11.862 4.586 1.00 0.00 S ATOM 159 CE MET A 11 -0.575 -13.237 3.468 1.00 0.00 C ATOM 0 H MET A 11 -2.094 -7.955 1.734 1.00 0.00 H new ATOM 0 HA MET A 11 0.134 -9.466 0.573 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.761 -10.574 2.482 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.400 -8.998 3.160 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.410 -9.751 4.329 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.893 -10.882 3.081 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.194 -14.153 3.920 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.642 -13.346 3.272 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.051 -13.050 2.530 1.00 0.00 H new ATOM 169 N PRO A 12 -1.520 -11.170 -0.177 1.00 0.00 N ATOM 170 CA PRO A 12 -2.492 -12.129 -0.719 1.00 0.00 C ATOM 171 C PRO A 12 -2.652 -13.359 0.170 1.00 0.00 C ATOM 172 O PRO A 12 -1.676 -14.034 0.494 1.00 0.00 O ATOM 173 CB PRO A 12 -1.894 -12.531 -2.082 1.00 0.00 C ATOM 174 CG PRO A 12 -0.767 -11.584 -2.318 1.00 0.00 C ATOM 175 CD PRO A 12 -0.283 -11.175 -0.959 1.00 0.00 C ATOM 0 HA PRO A 12 -3.488 -11.692 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.543 -13.563 -2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.639 -12.459 -2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.030 -12.060 -2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.098 -10.718 -2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.448 -11.877 -0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.192 -10.194 -0.975 1.00 0.00 H new ATOM 183 N GLU A 13 -3.890 -13.631 0.572 1.00 0.00 N ATOM 184 CA GLU A 13 -4.187 -14.775 1.426 1.00 0.00 C ATOM 185 C GLU A 13 -3.737 -16.081 0.781 1.00 0.00 C ATOM 186 O GLU A 13 -3.345 -17.022 1.471 1.00 0.00 O ATOM 187 CB GLU A 13 -5.685 -14.835 1.730 1.00 0.00 C ATOM 188 CG GLU A 13 -6.032 -14.437 3.156 1.00 0.00 C ATOM 189 CD GLU A 13 -7.404 -13.802 3.271 1.00 0.00 C ATOM 190 OE1 GLU A 13 -7.923 -13.318 2.242 1.00 0.00 O ATOM 191 OE2 GLU A 13 -7.958 -13.787 4.389 1.00 0.00 O ATOM 0 H GLU A 13 -4.705 -13.073 0.319 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.635 -14.647 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.214 -14.179 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.044 -15.847 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.990 -15.319 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.281 -13.739 3.527 1.00 0.00 H new ATOM 198 N SER A 14 -3.826 -16.145 -0.543 1.00 0.00 N ATOM 199 CA SER A 14 -3.441 -17.345 -1.274 1.00 0.00 C ATOM 200 C SER A 14 -1.926 -17.444 -1.413 1.00 0.00 C ATOM 201 O SER A 14 -1.227 -16.431 -1.391 1.00 0.00 O ATOM 202 CB SER A 14 -4.095 -17.355 -2.658 1.00 0.00 C ATOM 203 OG SER A 14 -5.431 -17.822 -2.588 1.00 0.00 O ATOM 0 H SER A 14 -4.161 -15.381 -1.130 1.00 0.00 H new ATOM 0 HA SER A 14 -3.788 -18.209 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.080 -16.349 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.519 -17.990 -3.331 1.00 0.00 H new ATOM 0 HG SER A 14 -5.827 -17.817 -3.485 1.00 0.00 H new ATOM 209 N PRO A 15 -1.394 -18.672 -1.568 1.00 0.00 N ATOM 210 CA PRO A 15 0.047 -18.891 -1.715 1.00 0.00 C ATOM 211 C PRO A 15 0.573 -18.378 -3.051 1.00 0.00 C ATOM 212 O PRO A 15 1.772 -18.435 -3.323 1.00 0.00 O ATOM 213 CB PRO A 15 0.190 -20.411 -1.628 1.00 0.00 C ATOM 214 CG PRO A 15 -1.131 -20.943 -2.064 1.00 0.00 C ATOM 215 CD PRO A 15 -2.152 -19.938 -1.608 1.00 0.00 C ATOM 0 HA PRO A 15 0.621 -18.356 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.993 -20.770 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.429 -20.728 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.163 -21.069 -3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.323 -21.921 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.994 -19.880 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.558 -20.194 -0.629 1.00 0.00 H new ATOM 223 N ASP A 16 -0.338 -17.890 -3.886 1.00 0.00 N ATOM 224 CA ASP A 16 0.025 -17.334 -5.182 1.00 0.00 C ATOM 225 C ASP A 16 0.282 -15.840 -5.049 1.00 0.00 C ATOM 226 O ASP A 16 -0.166 -15.042 -5.872 1.00 0.00 O ATOM 227 CB ASP A 16 -1.084 -17.592 -6.204 1.00 0.00 C ATOM 228 CG ASP A 16 -0.691 -18.640 -7.227 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.095 -18.267 -8.260 1.00 0.00 O ATOM 230 OD2 ASP A 16 -0.979 -19.832 -6.996 1.00 0.00 O ATOM 0 H ASP A 16 -1.338 -17.869 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 16 0.935 -17.821 -5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.986 -17.915 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.327 -16.661 -6.716 1.00 0.00 H new ATOM 235 N VAL A 17 1.006 -15.481 -3.996 1.00 0.00 N ATOM 236 CA VAL A 17 1.316 -14.086 -3.701 1.00 0.00 C ATOM 237 C VAL A 17 2.203 -13.465 -4.785 1.00 0.00 C ATOM 238 O VAL A 17 3.413 -13.313 -4.604 1.00 0.00 O ATOM 239 CB VAL A 17 2.022 -13.961 -2.334 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.470 -12.529 -2.073 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.109 -14.450 -1.223 1.00 0.00 C ATOM 0 H VAL A 17 1.394 -16.144 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 17 0.369 -13.546 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 17 2.914 -14.588 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.964 -12.473 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.165 -12.218 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.602 -11.870 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.620 -14.356 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.199 -13.850 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.852 -15.495 -1.397 1.00 0.00 H new ATOM 251 N ASP A 18 1.602 -13.140 -5.924 1.00 0.00 N ATOM 252 CA ASP A 18 2.331 -12.494 -7.010 1.00 0.00 C ATOM 253 C ASP A 18 2.653 -11.053 -6.634 1.00 0.00 C ATOM 254 O ASP A 18 1.824 -10.164 -6.808 1.00 0.00 O ATOM 255 CB ASP A 18 1.513 -12.531 -8.302 1.00 0.00 C ATOM 256 CG ASP A 18 1.427 -13.923 -8.895 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.544 -14.904 -8.130 1.00 0.00 O ATOM 258 OD2 ASP A 18 1.241 -14.034 -10.125 1.00 0.00 O ATOM 0 H ASP A 18 0.616 -13.312 -6.119 1.00 0.00 H new ATOM 0 HA ASP A 18 3.262 -13.036 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.507 -12.162 -8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.961 -11.856 -9.031 1.00 0.00 H new ATOM 263 N LEU A 19 3.828 -10.842 -6.054 1.00 0.00 N ATOM 264 CA LEU A 19 4.234 -9.509 -5.619 1.00 0.00 C ATOM 265 C LEU A 19 4.373 -8.560 -6.801 1.00 0.00 C ATOM 266 O LEU A 19 3.903 -7.424 -6.750 1.00 0.00 O ATOM 267 CB LEU A 19 5.548 -9.576 -4.825 1.00 0.00 C ATOM 268 CG LEU A 19 6.830 -9.411 -5.647 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.379 -7.999 -5.498 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.870 -10.438 -5.226 1.00 0.00 C ATOM 0 H LEU A 19 4.516 -11.574 -5.874 1.00 0.00 H new ATOM 0 HA LEU A 19 3.453 -9.119 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.528 -8.801 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.590 -10.535 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 19 6.591 -9.578 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.290 -7.899 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.638 -7.281 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.603 -7.805 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.774 -10.305 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.107 -10.304 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.475 -11.442 -5.385 1.00 0.00 H new ATOM 282 N GLU A 20 4.960 -9.047 -7.888 1.00 0.00 N ATOM 283 CA GLU A 20 5.174 -8.219 -9.064 1.00 0.00 C ATOM 284 C GLU A 20 3.846 -7.879 -9.716 1.00 0.00 C ATOM 285 O GLU A 20 3.638 -6.755 -10.174 1.00 0.00 O ATOM 286 CB GLU A 20 6.081 -8.938 -10.066 1.00 0.00 C ATOM 287 CG GLU A 20 6.266 -8.182 -11.371 1.00 0.00 C ATOM 288 CD GLU A 20 6.799 -9.060 -12.486 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.767 -9.810 -12.239 1.00 0.00 O ATOM 290 OE2 GLU A 20 6.249 -8.999 -13.605 1.00 0.00 O ATOM 0 H GLU A 20 5.294 -10.007 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 20 5.661 -7.295 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.057 -9.100 -9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.663 -9.921 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.311 -7.754 -11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.952 -7.350 -11.210 1.00 0.00 H new ATOM 297 N ALA A 21 2.942 -8.848 -9.743 1.00 0.00 N ATOM 298 CA ALA A 21 1.620 -8.620 -10.301 1.00 0.00 C ATOM 299 C ALA A 21 0.803 -7.726 -9.380 1.00 0.00 C ATOM 300 O ALA A 21 0.006 -6.904 -9.835 1.00 0.00 O ATOM 301 CB ALA A 21 0.904 -9.939 -10.549 1.00 0.00 C ATOM 0 H ALA A 21 3.099 -9.791 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 21 1.733 -8.114 -11.260 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.084 -9.744 -10.967 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.482 -10.541 -11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.800 -10.479 -9.608 1.00 0.00 H new ATOM 307 N LEU A 22 0.989 -7.918 -8.081 1.00 0.00 N ATOM 308 CA LEU A 22 0.307 -7.107 -7.083 1.00 0.00 C ATOM 309 C LEU A 22 0.820 -5.680 -7.136 1.00 0.00 C ATOM 310 O LEU A 22 0.108 -4.736 -6.801 1.00 0.00 O ATOM 311 CB LEU A 22 0.528 -7.690 -5.686 1.00 0.00 C ATOM 312 CG LEU A 22 -0.746 -7.939 -4.876 1.00 0.00 C ATOM 313 CD1 LEU A 22 -0.396 -8.505 -3.510 1.00 0.00 C ATOM 314 CD2 LEU A 22 -1.554 -6.659 -4.732 1.00 0.00 C ATOM 0 H LEU A 22 1.608 -8.630 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.761 -7.109 -7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.067 -8.632 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.170 -7.012 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.358 -8.666 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.310 -8.678 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.139 -9.447 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.235 -7.797 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.455 -6.861 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.955 -5.906 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.832 -6.291 -5.720 1.00 0.00 H new ATOM 326 N LYS A 23 2.072 -5.545 -7.550 1.00 0.00 N ATOM 327 CA LYS A 23 2.711 -4.246 -7.667 1.00 0.00 C ATOM 328 C LYS A 23 1.931 -3.359 -8.619 1.00 0.00 C ATOM 329 O LYS A 23 1.709 -2.178 -8.351 1.00 0.00 O ATOM 330 CB LYS A 23 4.146 -4.421 -8.158 1.00 0.00 C ATOM 331 CG LYS A 23 5.185 -4.153 -7.082 1.00 0.00 C ATOM 332 CD LYS A 23 6.388 -3.419 -7.641 1.00 0.00 C ATOM 333 CE LYS A 23 7.649 -4.258 -7.532 1.00 0.00 C ATOM 334 NZ LYS A 23 8.157 -4.676 -8.868 1.00 0.00 N ATOM 0 H LYS A 23 2.669 -6.329 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 23 2.727 -3.768 -6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.274 -5.437 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.320 -3.748 -8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.738 -3.564 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.506 -5.097 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.208 -3.164 -8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.526 -2.481 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.420 -3.688 -7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.445 -5.142 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.018 -5.247 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.432 -5.241 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.376 -3.833 -9.436 1.00 0.00 H new ATOM 348 N LYS A 24 1.497 -3.947 -9.726 1.00 0.00 N ATOM 349 CA LYS A 24 0.713 -3.226 -10.714 1.00 0.00 C ATOM 350 C LYS A 24 -0.639 -2.835 -10.131 1.00 0.00 C ATOM 351 O LYS A 24 -1.103 -1.709 -10.315 1.00 0.00 O ATOM 352 CB LYS A 24 0.516 -4.081 -11.969 1.00 0.00 C ATOM 353 CG LYS A 24 1.653 -5.057 -12.226 1.00 0.00 C ATOM 354 CD LYS A 24 1.928 -5.216 -13.712 1.00 0.00 C ATOM 355 CE LYS A 24 1.692 -6.644 -14.174 1.00 0.00 C ATOM 356 NZ LYS A 24 2.925 -7.252 -14.746 1.00 0.00 N ATOM 0 H LYS A 24 1.676 -4.923 -9.961 1.00 0.00 H new ATOM 0 HA LYS A 24 1.254 -2.321 -10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.416 -4.638 -11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.410 -3.424 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.555 -4.706 -11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.405 -6.027 -11.795 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.286 -4.540 -14.276 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.958 -4.929 -13.925 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.347 -7.246 -13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.899 -6.657 -14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.723 -8.226 -15.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.241 -6.693 -15.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.674 -7.263 -14.024 1.00 0.00 H new ATOM 370 N GLU A 25 -1.268 -3.773 -9.426 1.00 0.00 N ATOM 371 CA GLU A 25 -2.562 -3.513 -8.806 1.00 0.00 C ATOM 372 C GLU A 25 -2.420 -2.464 -7.714 1.00 0.00 C ATOM 373 O GLU A 25 -3.343 -1.700 -7.437 1.00 0.00 O ATOM 374 CB GLU A 25 -3.143 -4.802 -8.222 1.00 0.00 C ATOM 375 CG GLU A 25 -3.574 -5.806 -9.279 1.00 0.00 C ATOM 376 CD GLU A 25 -5.081 -5.895 -9.417 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.654 -5.098 -10.188 1.00 0.00 O ATOM 378 OE2 GLU A 25 -5.688 -6.763 -8.755 1.00 0.00 O ATOM 0 H GLU A 25 -0.904 -4.713 -9.271 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.243 -3.138 -9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.399 -5.265 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.001 -4.554 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.141 -5.526 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.177 -6.789 -9.025 1.00 0.00 H new ATOM 385 N ILE A 26 -1.251 -2.442 -7.096 1.00 0.00 N ATOM 386 CA ILE A 26 -0.964 -1.493 -6.036 1.00 0.00 C ATOM 387 C ILE A 26 -1.067 -0.058 -6.542 1.00 0.00 C ATOM 388 O ILE A 26 -1.638 0.804 -5.877 1.00 0.00 O ATOM 389 CB ILE A 26 0.440 -1.741 -5.444 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.335 -2.612 -4.191 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.143 -0.428 -5.126 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.452 -3.624 -4.061 1.00 0.00 C ATOM 0 H ILE A 26 -0.481 -3.075 -7.313 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.708 -1.639 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 26 1.038 -2.266 -6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.334 -1.969 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.620 -3.137 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.129 -0.635 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.249 0.158 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.554 0.134 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.312 -4.205 -3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.440 -4.291 -4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.410 -3.105 -4.017 1.00 0.00 H new ATOM 404 N GLN A 27 -0.453 0.202 -7.689 1.00 0.00 N ATOM 405 CA GLN A 27 -0.457 1.539 -8.263 1.00 0.00 C ATOM 406 C GLN A 27 -1.866 1.967 -8.652 1.00 0.00 C ATOM 407 O GLN A 27 -2.211 3.145 -8.567 1.00 0.00 O ATOM 408 CB GLN A 27 0.472 1.601 -9.477 1.00 0.00 C ATOM 409 CG GLN A 27 1.842 0.988 -9.224 1.00 0.00 C ATOM 410 CD GLN A 27 2.634 1.724 -8.161 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.193 1.858 -7.020 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.820 2.195 -8.530 1.00 0.00 N ATOM 0 H GLN A 27 0.052 -0.494 -8.238 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.092 2.231 -7.505 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.000 1.084 -10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.598 2.642 -9.776 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.718 -0.052 -8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.410 0.984 -10.155 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.147 2.061 -9.487 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.404 2.690 -7.856 1.00 0.00 H new ATOM 421 N GLU A 28 -2.665 1.011 -9.113 1.00 0.00 N ATOM 422 CA GLU A 28 -4.036 1.300 -9.517 1.00 0.00 C ATOM 423 C GLU A 28 -4.940 1.457 -8.300 1.00 0.00 C ATOM 424 O GLU A 28 -6.013 2.054 -8.385 1.00 0.00 O ATOM 425 CB GLU A 28 -4.563 0.199 -10.439 1.00 0.00 C ATOM 426 CG GLU A 28 -4.964 -1.074 -9.713 1.00 0.00 C ATOM 427 CD GLU A 28 -5.665 -2.066 -10.620 1.00 0.00 C ATOM 428 OE1 GLU A 28 -4.984 -2.678 -11.469 1.00 0.00 O ATOM 429 OE2 GLU A 28 -6.895 -2.232 -10.479 1.00 0.00 O ATOM 0 H GLU A 28 -2.389 0.034 -9.216 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.039 2.243 -10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.425 0.580 -10.987 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.797 -0.041 -11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.075 -1.541 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.621 -0.822 -8.880 1.00 0.00 H new ATOM 436 N ARG A 29 -4.503 0.910 -7.170 1.00 0.00 N ATOM 437 CA ARG A 29 -5.275 0.989 -5.938 1.00 0.00 C ATOM 438 C ARG A 29 -4.898 2.229 -5.134 1.00 0.00 C ATOM 439 O ARG A 29 -5.596 2.606 -4.191 1.00 0.00 O ATOM 440 CB ARG A 29 -5.072 -0.278 -5.104 1.00 0.00 C ATOM 441 CG ARG A 29 -3.866 -0.235 -4.179 1.00 0.00 C ATOM 442 CD ARG A 29 -3.957 -1.320 -3.118 1.00 0.00 C ATOM 443 NE ARG A 29 -4.021 -2.654 -3.708 1.00 0.00 N ATOM 444 CZ ARG A 29 -3.957 -3.774 -2.996 1.00 0.00 C ATOM 445 NH1 ARG A 29 -3.842 -3.721 -1.677 1.00 0.00 N ATOM 446 NH2 ARG A 29 -4.011 -4.949 -3.605 1.00 0.00 N ATOM 0 H ARG A 29 -3.619 0.408 -7.083 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.330 1.069 -6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.967 -0.452 -4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.968 -1.129 -5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.953 -0.364 -4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.804 0.743 -3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.092 -1.256 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.841 -1.153 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.120 -2.730 -4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.802 -2.818 -1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.793 -4.583 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.102 -4.994 -4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.962 -5.809 -3.059 1.00 0.00 H new ATOM 460 N ILE A 30 -3.785 2.856 -5.508 1.00 0.00 N ATOM 461 CA ILE A 30 -3.324 4.062 -4.832 1.00 0.00 C ATOM 462 C ILE A 30 -4.371 5.174 -4.924 1.00 0.00 C ATOM 463 O ILE A 30 -4.973 5.377 -5.977 1.00 0.00 O ATOM 464 CB ILE A 30 -1.992 4.572 -5.431 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.841 3.631 -5.052 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.697 6.000 -4.975 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.406 3.739 -3.604 1.00 0.00 C ATOM 0 H ILE A 30 -3.187 2.548 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.164 3.799 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.088 4.582 -6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.144 2.604 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.014 3.843 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.755 6.334 -5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.501 6.659 -5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.624 6.027 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.411 3.042 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.070 4.756 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.246 3.497 -2.953 1.00 0.00 H new ATOM 479 N PRO A 31 -4.589 5.923 -3.825 1.00 0.00 N ATOM 480 CA PRO A 31 -5.548 7.030 -3.799 1.00 0.00 C ATOM 481 C PRO A 31 -5.338 8.000 -4.960 1.00 0.00 C ATOM 482 O PRO A 31 -4.265 8.585 -5.108 1.00 0.00 O ATOM 483 CB PRO A 31 -5.269 7.728 -2.457 1.00 0.00 C ATOM 484 CG PRO A 31 -3.983 7.151 -1.965 1.00 0.00 C ATOM 485 CD PRO A 31 -3.918 5.765 -2.528 1.00 0.00 C ATOM 0 HA PRO A 31 -6.575 6.679 -3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.191 8.808 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.076 7.549 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.134 7.748 -2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.954 7.133 -0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.890 5.420 -2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.429 5.043 -1.891 1.00 0.00 H new ATOM 493 N GLU A 32 -6.363 8.140 -5.797 1.00 0.00 N ATOM 494 CA GLU A 32 -6.316 9.018 -6.954 1.00 0.00 C ATOM 495 C GLU A 32 -6.047 10.477 -6.565 1.00 0.00 C ATOM 496 O GLU A 32 -5.923 11.343 -7.432 1.00 0.00 O ATOM 497 CB GLU A 32 -7.628 8.884 -7.717 1.00 0.00 C ATOM 498 CG GLU A 32 -8.540 10.071 -7.563 1.00 0.00 C ATOM 499 CD GLU A 32 -9.259 10.097 -6.228 1.00 0.00 C ATOM 500 OE1 GLU A 32 -8.635 10.495 -5.223 1.00 0.00 O ATOM 501 OE2 GLU A 32 -10.450 9.721 -6.189 1.00 0.00 O ATOM 0 H GLU A 32 -7.249 7.646 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.484 8.718 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.410 8.739 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.148 7.990 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.958 10.986 -7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.277 10.063 -8.366 1.00 0.00 H new ATOM 508 N GLY A 33 -5.924 10.739 -5.267 1.00 0.00 N ATOM 509 CA GLY A 33 -5.693 12.097 -4.806 1.00 0.00 C ATOM 510 C GLY A 33 -4.239 12.515 -4.902 1.00 0.00 C ATOM 511 O GLY A 33 -3.940 13.654 -5.260 1.00 0.00 O ATOM 0 H GLY A 33 -5.980 10.038 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.302 12.783 -5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.023 12.185 -3.771 1.00 0.00 H new ATOM 515 N THR A 34 -3.331 11.600 -4.578 1.00 0.00 N ATOM 516 CA THR A 34 -1.902 11.895 -4.628 1.00 0.00 C ATOM 517 C THR A 34 -1.142 10.811 -5.394 1.00 0.00 C ATOM 518 O THR A 34 -1.670 10.221 -6.337 1.00 0.00 O ATOM 519 CB THR A 34 -1.344 12.036 -3.211 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.386 12.295 -2.285 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.323 13.144 -3.078 1.00 0.00 C ATOM 0 H THR A 34 -3.557 10.651 -4.279 1.00 0.00 H new ATOM 0 HA THR A 34 -1.767 12.838 -5.158 1.00 0.00 H new ATOM 0 HB THR A 34 -0.854 11.086 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.084 12.958 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.032 13.190 -2.049 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.517 12.946 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.782 14.096 -3.346 1.00 0.00 H new ATOM 529 N GLU A 35 0.099 10.559 -4.986 1.00 0.00 N ATOM 530 CA GLU A 35 0.935 9.559 -5.642 1.00 0.00 C ATOM 531 C GLU A 35 1.584 8.637 -4.619 1.00 0.00 C ATOM 532 O GLU A 35 1.538 8.893 -3.415 1.00 0.00 O ATOM 533 CB GLU A 35 2.015 10.241 -6.484 1.00 0.00 C ATOM 534 CG GLU A 35 1.507 10.771 -7.815 1.00 0.00 C ATOM 535 CD GLU A 35 2.593 10.833 -8.870 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.160 9.770 -9.201 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.879 11.943 -9.365 1.00 0.00 O ATOM 0 H GLU A 35 0.548 11.034 -4.203 1.00 0.00 H new ATOM 0 HA GLU A 35 0.298 8.960 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.441 11.066 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.821 9.531 -6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.697 10.134 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.089 11.767 -7.670 1.00 0.00 H new ATOM 544 N LEU A 36 2.199 7.568 -5.111 1.00 0.00 N ATOM 545 CA LEU A 36 2.850 6.594 -4.245 1.00 0.00 C ATOM 546 C LEU A 36 4.174 7.135 -3.705 1.00 0.00 C ATOM 547 O LEU A 36 4.535 8.284 -3.960 1.00 0.00 O ATOM 548 CB LEU A 36 3.094 5.289 -5.006 1.00 0.00 C ATOM 549 CG LEU A 36 3.723 5.454 -6.392 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.027 4.677 -6.482 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.755 5.003 -7.476 1.00 0.00 C ATOM 0 H LEU A 36 2.260 7.354 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 36 2.188 6.400 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.741 4.651 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.143 4.767 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 36 3.942 6.511 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.460 4.806 -7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.724 5.048 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.833 3.619 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.220 5.128 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.503 3.953 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.847 5.604 -7.426 1.00 0.00 H new ATOM 563 N HIS A 37 4.882 6.303 -2.947 1.00 0.00 N ATOM 564 CA HIS A 37 6.160 6.686 -2.355 1.00 0.00 C ATOM 565 C HIS A 37 7.222 5.630 -2.616 1.00 0.00 C ATOM 566 O HIS A 37 8.088 5.793 -3.475 1.00 0.00 O ATOM 567 CB HIS A 37 5.996 6.870 -0.847 1.00 0.00 C ATOM 568 CG HIS A 37 7.259 7.260 -0.141 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.726 8.553 -0.161 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.107 6.494 0.588 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.839 8.546 0.550 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.109 7.321 1.022 1.00 0.00 N ATOM 0 H HIS A 37 4.589 5.351 -2.727 1.00 0.00 H new ATOM 0 HA HIS A 37 6.478 7.622 -2.813 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.239 7.633 -0.664 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.623 5.941 -0.416 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.011 5.437 0.788 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.453 9.416 0.728 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.909 7.055 1.596 1.00 0.00 H new ATOM 580 N LYS A 38 7.131 4.541 -1.865 1.00 0.00 N ATOM 581 CA LYS A 38 8.082 3.447 -1.967 1.00 0.00 C ATOM 582 C LYS A 38 7.522 2.202 -1.280 1.00 0.00 C ATOM 583 O LYS A 38 7.026 2.273 -0.155 1.00 0.00 O ATOM 584 CB LYS A 38 9.423 3.865 -1.348 1.00 0.00 C ATOM 585 CG LYS A 38 10.029 2.845 -0.395 1.00 0.00 C ATOM 586 CD LYS A 38 10.753 1.741 -1.147 1.00 0.00 C ATOM 587 CE LYS A 38 11.761 1.029 -0.260 1.00 0.00 C ATOM 588 NZ LYS A 38 12.563 0.029 -1.019 1.00 0.00 N ATOM 0 H LYS A 38 6.398 4.393 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 38 8.250 3.207 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.134 4.059 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.284 4.804 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.725 3.344 0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.243 2.411 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.027 1.021 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.263 2.164 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.429 1.763 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.238 0.530 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.238 -0.434 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.929 -0.686 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.083 0.508 -1.782 1.00 0.00 H new ATOM 602 N ILE A 39 7.565 1.075 -1.983 1.00 0.00 N ATOM 603 CA ILE A 39 7.004 -0.169 -1.468 1.00 0.00 C ATOM 604 C ILE A 39 8.052 -1.029 -0.763 1.00 0.00 C ATOM 605 O ILE A 39 9.254 -0.853 -0.961 1.00 0.00 O ATOM 606 CB ILE A 39 6.350 -0.983 -2.596 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.597 -0.042 -3.548 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.418 -2.028 -2.007 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.596 -0.738 -4.446 1.00 0.00 C ATOM 0 H ILE A 39 7.982 0.997 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 39 6.248 0.112 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 39 7.122 -1.500 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.076 0.712 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.322 0.484 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.958 -2.601 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.985 -2.699 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.641 -1.535 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.109 -0.003 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.111 -1.473 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.846 -1.240 -3.835 1.00 0.00 H new ATOM 621 N ASP A 40 7.579 -1.963 0.062 1.00 0.00 N ATOM 622 CA ASP A 40 8.460 -2.849 0.819 1.00 0.00 C ATOM 623 C ASP A 40 8.094 -4.314 0.608 1.00 0.00 C ATOM 624 O ASP A 40 6.978 -4.730 0.910 1.00 0.00 O ATOM 625 CB ASP A 40 8.364 -2.524 2.308 1.00 0.00 C ATOM 626 CG ASP A 40 9.717 -2.518 2.992 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.255 -3.615 3.256 1.00 0.00 O ATOM 628 OD2 ASP A 40 10.238 -1.416 3.267 1.00 0.00 O ATOM 0 H ASP A 40 6.585 -2.125 0.223 1.00 0.00 H new ATOM 0 HA ASP A 40 9.477 -2.690 0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.893 -1.549 2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.718 -3.255 2.795 1.00 0.00 H new ATOM 633 N GLU A 41 9.052 -5.104 0.136 1.00 0.00 N ATOM 634 CA GLU A 41 8.827 -6.531 -0.071 1.00 0.00 C ATOM 635 C GLU A 41 9.062 -7.306 1.225 1.00 0.00 C ATOM 636 O GLU A 41 10.087 -7.970 1.386 1.00 0.00 O ATOM 637 CB GLU A 41 9.745 -7.060 -1.174 1.00 0.00 C ATOM 638 CG GLU A 41 9.762 -6.190 -2.421 1.00 0.00 C ATOM 639 CD GLU A 41 10.798 -6.641 -3.432 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.877 -7.106 -3.009 1.00 0.00 O ATOM 641 OE2 GLU A 41 10.528 -6.530 -4.646 1.00 0.00 O ATOM 0 H GLU A 41 9.988 -4.783 -0.110 1.00 0.00 H new ATOM 0 HA GLU A 41 7.791 -6.673 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.759 -7.140 -0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.428 -8.066 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.776 -6.207 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.963 -5.157 -2.136 1.00 0.00 H new ATOM 648 N GLU A 42 8.120 -7.190 2.157 1.00 0.00 N ATOM 649 CA GLU A 42 8.222 -7.870 3.446 1.00 0.00 C ATOM 650 C GLU A 42 7.354 -9.123 3.472 1.00 0.00 C ATOM 651 O GLU A 42 6.211 -9.095 3.030 1.00 0.00 O ATOM 652 CB GLU A 42 7.807 -6.927 4.574 1.00 0.00 C ATOM 653 CG GLU A 42 8.974 -6.455 5.424 1.00 0.00 C ATOM 654 CD GLU A 42 8.636 -6.404 6.901 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.808 -7.435 7.584 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.200 -5.333 7.374 1.00 0.00 O ATOM 0 H GLU A 42 7.275 -6.630 2.044 1.00 0.00 H new ATOM 0 HA GLU A 42 9.261 -8.167 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.304 -6.060 4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.083 -7.433 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.823 -7.122 5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.284 -5.464 5.091 1.00 0.00 H new ATOM 663 N PRO A 43 7.880 -10.241 4.003 1.00 0.00 N ATOM 664 CA PRO A 43 7.150 -11.503 4.071 1.00 0.00 C ATOM 665 C PRO A 43 6.283 -11.614 5.316 1.00 0.00 C ATOM 666 O PRO A 43 6.533 -10.953 6.325 1.00 0.00 O ATOM 667 CB PRO A 43 8.261 -12.546 4.082 1.00 0.00 C ATOM 668 CG PRO A 43 9.447 -11.861 4.691 1.00 0.00 C ATOM 669 CD PRO A 43 9.235 -10.368 4.561 1.00 0.00 C ATOM 0 HA PRO A 43 6.450 -11.617 3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.972 -13.421 4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.484 -12.893 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.554 -12.142 5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.364 -12.162 4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.316 -9.869 5.527 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.979 -9.916 3.905 1.00 0.00 H new ATOM 677 N ILE A 44 5.244 -12.438 5.224 1.00 0.00 N ATOM 678 CA ILE A 44 4.298 -12.610 6.320 1.00 0.00 C ATOM 679 C ILE A 44 4.170 -14.074 6.727 1.00 0.00 C ATOM 680 O ILE A 44 4.802 -14.519 7.685 1.00 0.00 O ATOM 681 CB ILE A 44 2.906 -12.070 5.936 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.043 -10.879 4.980 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.126 -11.677 7.182 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.740 -9.679 5.592 1.00 0.00 C ATOM 0 H ILE A 44 5.036 -12.999 4.398 1.00 0.00 H new ATOM 0 HA ILE A 44 4.688 -12.043 7.166 1.00 0.00 H new ATOM 0 HB ILE A 44 2.354 -12.858 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.596 -11.197 4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.050 -10.579 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.146 -11.298 6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.003 -12.549 7.824 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.670 -10.902 7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.799 -8.878 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.177 -9.334 6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.746 -9.962 5.902 1.00 0.00 H new ATOM 696 N ALA A 45 3.325 -14.808 6.011 1.00 0.00 N ATOM 697 CA ALA A 45 3.094 -16.220 6.302 1.00 0.00 C ATOM 698 C ALA A 45 4.338 -17.059 6.011 1.00 0.00 C ATOM 699 O ALA A 45 5.465 -16.579 6.132 1.00 0.00 O ATOM 700 CB ALA A 45 1.902 -16.729 5.505 1.00 0.00 C ATOM 0 H ALA A 45 2.787 -14.448 5.223 1.00 0.00 H new ATOM 0 HA ALA A 45 2.874 -16.317 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.738 -17.783 5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.013 -16.158 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.100 -16.611 4.440 1.00 0.00 H new ATOM 706 N PHE A 46 4.126 -18.312 5.615 1.00 0.00 N ATOM 707 CA PHE A 46 5.228 -19.215 5.308 1.00 0.00 C ATOM 708 C PHE A 46 5.923 -18.794 4.021 1.00 0.00 C ATOM 709 O PHE A 46 7.139 -18.935 3.882 1.00 0.00 O ATOM 710 CB PHE A 46 4.717 -20.651 5.179 1.00 0.00 C ATOM 711 CG PHE A 46 3.557 -20.800 4.233 1.00 0.00 C ATOM 712 CD1 PHE A 46 2.254 -20.685 4.692 1.00 0.00 C ATOM 713 CD2 PHE A 46 3.769 -21.064 2.889 1.00 0.00 C ATOM 714 CE1 PHE A 46 1.185 -20.822 3.827 1.00 0.00 C ATOM 715 CE2 PHE A 46 2.704 -21.202 2.020 1.00 0.00 C ATOM 716 CZ PHE A 46 1.410 -21.082 2.489 1.00 0.00 C ATOM 0 H PHE A 46 3.200 -18.723 5.500 1.00 0.00 H new ATOM 0 HA PHE A 46 5.948 -19.167 6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.534 -21.288 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.419 -21.011 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.072 -20.486 5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.778 -21.163 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.175 -20.726 4.197 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.883 -21.404 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.576 -21.191 1.811 1.00 0.00 H new ATOM 726 N GLY A 47 5.144 -18.254 3.091 1.00 0.00 N ATOM 727 CA GLY A 47 5.695 -17.809 1.826 1.00 0.00 C ATOM 728 C GLY A 47 4.907 -16.666 1.217 1.00 0.00 C ATOM 729 O GLY A 47 5.152 -16.274 0.076 1.00 0.00 O ATOM 0 H GLY A 47 4.138 -18.116 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.728 -17.495 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.713 -18.646 1.127 1.00 0.00 H new ATOM 733 N LEU A 48 3.957 -16.129 1.978 1.00 0.00 N ATOM 734 CA LEU A 48 3.135 -15.019 1.504 1.00 0.00 C ATOM 735 C LEU A 48 3.760 -13.682 1.887 1.00 0.00 C ATOM 736 O LEU A 48 3.652 -13.239 3.029 1.00 0.00 O ATOM 737 CB LEU A 48 1.714 -15.121 2.071 1.00 0.00 C ATOM 738 CG LEU A 48 1.120 -16.536 2.133 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.394 -16.474 2.301 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.480 -17.335 0.890 1.00 0.00 C ATOM 0 H LEU A 48 3.738 -16.443 2.923 1.00 0.00 H new ATOM 0 HA LEU A 48 3.082 -15.077 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.714 -14.703 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.056 -14.497 1.466 1.00 0.00 H new ATOM 0 HG LEU A 48 1.548 -17.042 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.797 -17.486 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.636 -15.948 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.832 -15.943 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.047 -18.333 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.088 -16.831 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.564 -17.415 0.810 1.00 0.00 H new ATOM 752 N VAL A 49 4.405 -13.041 0.916 1.00 0.00 N ATOM 753 CA VAL A 49 5.078 -11.770 1.150 1.00 0.00 C ATOM 754 C VAL A 49 4.177 -10.581 0.832 1.00 0.00 C ATOM 755 O VAL A 49 3.643 -10.467 -0.271 1.00 0.00 O ATOM 756 CB VAL A 49 6.367 -11.665 0.309 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.010 -10.292 0.458 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.344 -12.763 0.697 1.00 0.00 C ATOM 0 H VAL A 49 4.475 -13.383 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 49 5.330 -11.741 2.210 1.00 0.00 H new ATOM 0 HB VAL A 49 6.099 -11.794 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.916 -10.247 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.312 -9.525 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.262 -10.120 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.248 -12.675 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.600 -12.666 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.885 -13.736 0.523 1.00 0.00 H new ATOM 768 N ALA A 50 4.080 -9.658 1.784 1.00 0.00 N ATOM 769 CA ALA A 50 3.279 -8.455 1.612 1.00 0.00 C ATOM 770 C ALA A 50 4.134 -7.293 1.129 1.00 0.00 C ATOM 771 O ALA A 50 5.357 -7.303 1.268 1.00 0.00 O ATOM 772 CB ALA A 50 2.602 -8.076 2.918 1.00 0.00 C ATOM 0 H ALA A 50 4.550 -9.723 2.687 1.00 0.00 H new ATOM 0 HA ALA A 50 2.520 -8.668 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.007 -7.174 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.953 -8.890 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.359 -7.891 3.680 1.00 0.00 H new ATOM 778 N LEU A 51 3.476 -6.286 0.573 1.00 0.00 N ATOM 779 CA LEU A 51 4.159 -5.104 0.073 1.00 0.00 C ATOM 780 C LEU A 51 3.661 -3.858 0.794 1.00 0.00 C ATOM 781 O LEU A 51 2.473 -3.536 0.745 1.00 0.00 O ATOM 782 CB LEU A 51 3.929 -4.966 -1.434 1.00 0.00 C ATOM 783 CG LEU A 51 4.896 -5.756 -2.318 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.743 -7.250 -2.073 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.665 -5.428 -3.786 1.00 0.00 C ATOM 0 H LEU A 51 2.463 -6.265 0.457 1.00 0.00 H new ATOM 0 HA LEU A 51 5.227 -5.211 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.912 -5.286 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.998 -3.911 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 51 5.915 -5.468 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.438 -7.796 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.958 -7.471 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.722 -7.554 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.361 -5.999 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.642 -5.687 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.825 -4.362 -3.950 1.00 0.00 H new ATOM 797 N ASN A 52 4.572 -3.166 1.463 1.00 0.00 N ATOM 798 CA ASN A 52 4.224 -1.955 2.191 1.00 0.00 C ATOM 799 C ASN A 52 4.359 -0.745 1.284 1.00 0.00 C ATOM 800 O ASN A 52 5.428 -0.146 1.172 1.00 0.00 O ATOM 801 CB ASN A 52 5.118 -1.799 3.423 1.00 0.00 C ATOM 802 CG ASN A 52 5.373 -3.119 4.128 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.454 -3.344 4.673 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.380 -4.002 4.119 1.00 0.00 N ATOM 0 H ASN A 52 5.558 -3.423 1.517 1.00 0.00 H new ATOM 0 HA ASN A 52 3.189 -2.031 2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.070 -1.361 3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.652 -1.103 4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.498 -4.907 4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.500 -3.775 3.656 1.00 0.00 H new ATOM 811 N VAL A 53 3.258 -0.403 0.631 1.00 0.00 N ATOM 812 CA VAL A 53 3.233 0.699 -0.315 1.00 0.00 C ATOM 813 C VAL A 53 2.940 2.025 0.372 1.00 0.00 C ATOM 814 O VAL A 53 1.793 2.327 0.702 1.00 0.00 O ATOM 815 CB VAL A 53 2.174 0.466 -1.405 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.380 1.427 -2.564 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.207 -0.977 -1.882 1.00 0.00 C ATOM 0 H VAL A 53 2.363 -0.879 0.742 1.00 0.00 H new ATOM 0 HA VAL A 53 4.224 0.744 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 53 1.190 0.658 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.621 1.247 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.297 2.453 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.369 1.272 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.451 -1.123 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.191 -1.202 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.003 -1.642 -1.043 1.00 0.00 H new ATOM 827 N MET A 54 3.978 2.835 0.529 1.00 0.00 N ATOM 828 CA MET A 54 3.837 4.149 1.140 1.00 0.00 C ATOM 829 C MET A 54 3.451 5.181 0.089 1.00 0.00 C ATOM 830 O MET A 54 3.550 4.921 -1.110 1.00 0.00 O ATOM 831 CB MET A 54 5.144 4.561 1.822 1.00 0.00 C ATOM 832 CG MET A 54 5.553 3.638 2.958 1.00 0.00 C ATOM 833 SD MET A 54 7.300 3.786 3.378 1.00 0.00 S ATOM 834 CE MET A 54 7.617 2.169 4.081 1.00 0.00 C ATOM 0 H MET A 54 4.929 2.604 0.241 1.00 0.00 H new ATOM 0 HA MET A 54 3.049 4.099 1.891 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.941 4.584 1.079 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.039 5.575 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.951 3.863 3.839 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.336 2.607 2.679 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.660 2.105 4.390 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.972 2.016 4.946 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.412 1.401 3.335 1.00 0.00 H new ATOM 844 N VAL A 55 2.980 6.339 0.541 1.00 0.00 N ATOM 845 CA VAL A 55 2.554 7.394 -0.370 1.00 0.00 C ATOM 846 C VAL A 55 2.997 8.770 0.126 1.00 0.00 C ATOM 847 O VAL A 55 2.902 9.073 1.316 1.00 0.00 O ATOM 848 CB VAL A 55 1.021 7.380 -0.563 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.524 5.962 -0.786 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.311 8.013 0.625 1.00 0.00 C ATOM 0 H VAL A 55 2.884 6.570 1.530 1.00 0.00 H new ATOM 0 HA VAL A 55 3.031 7.199 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 55 0.790 7.973 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.558 5.972 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.996 5.547 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.777 5.348 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.766 7.989 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.552 7.457 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.638 9.047 0.735 1.00 0.00 H new ATOM 860 N VAL A 56 3.508 9.590 -0.788 1.00 0.00 N ATOM 861 CA VAL A 56 3.961 10.933 -0.436 1.00 0.00 C ATOM 862 C VAL A 56 2.877 11.972 -0.705 1.00 0.00 C ATOM 863 O VAL A 56 2.503 12.206 -1.855 1.00 0.00 O ATOM 864 CB VAL A 56 5.234 11.337 -1.208 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.264 11.935 -0.262 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.818 10.152 -1.961 1.00 0.00 C ATOM 0 H VAL A 56 3.619 9.350 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 56 4.188 10.906 0.630 1.00 0.00 H new ATOM 0 HB VAL A 56 4.958 12.095 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.155 12.214 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.846 12.820 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.530 11.200 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.714 10.467 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.075 9.363 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.084 9.776 -2.673 1.00 0.00 H new ATOM 876 N VAL A 57 2.386 12.601 0.359 1.00 0.00 N ATOM 877 CA VAL A 57 1.367 13.638 0.231 1.00 0.00 C ATOM 878 C VAL A 57 1.767 14.887 1.013 1.00 0.00 C ATOM 879 O VAL A 57 2.453 14.798 2.031 1.00 0.00 O ATOM 880 CB VAL A 57 -0.018 13.147 0.708 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.327 11.772 0.131 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.100 13.121 2.226 1.00 0.00 C ATOM 0 H VAL A 57 2.677 12.411 1.318 1.00 0.00 H new ATOM 0 HA VAL A 57 1.293 13.883 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.766 13.851 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.306 11.443 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.327 11.826 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.431 11.061 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.086 12.771 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.662 12.448 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.066 14.125 2.617 1.00 0.00 H new ATOM 892 N GLY A 58 1.351 16.048 0.520 1.00 0.00 N ATOM 893 CA GLY A 58 1.683 17.297 1.183 1.00 0.00 C ATOM 894 C GLY A 58 0.903 18.469 0.627 1.00 0.00 C ATOM 895 O GLY A 58 0.051 19.036 1.312 1.00 0.00 O ATOM 0 H GLY A 58 0.790 16.148 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.482 17.204 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.750 17.490 1.075 1.00 0.00 H new ATOM 899 N ASP A 59 1.189 18.828 -0.620 1.00 0.00 N ATOM 900 CA ASP A 59 0.500 19.932 -1.273 1.00 0.00 C ATOM 901 C ASP A 59 -0.853 19.481 -1.804 1.00 0.00 C ATOM 902 O ASP A 59 -1.654 20.290 -2.272 1.00 0.00 O ATOM 903 CB ASP A 59 1.352 20.488 -2.416 1.00 0.00 C ATOM 904 CG ASP A 59 2.494 21.353 -1.917 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.256 22.192 -1.023 1.00 0.00 O ATOM 906 OD2 ASP A 59 3.625 21.191 -2.421 1.00 0.00 O ATOM 0 H ASP A 59 1.894 18.370 -1.198 1.00 0.00 H new ATOM 0 HA ASP A 59 0.340 20.719 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.755 19.661 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.721 21.074 -3.084 1.00 0.00 H new ATOM 911 N ALA A 60 -1.097 18.178 -1.727 1.00 0.00 N ATOM 912 CA ALA A 60 -2.354 17.599 -2.182 1.00 0.00 C ATOM 913 C ALA A 60 -3.517 18.040 -1.293 1.00 0.00 C ATOM 914 O ALA A 60 -3.514 19.148 -0.756 1.00 0.00 O ATOM 915 CB ALA A 60 -2.244 16.083 -2.209 1.00 0.00 C ATOM 0 H ALA A 60 -0.435 17.499 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.555 17.958 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.187 15.656 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.445 15.788 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.021 15.716 -1.207 1.00 0.00 H new ATOM 921 N GLU A 61 -4.503 17.162 -1.134 1.00 0.00 N ATOM 922 CA GLU A 61 -5.668 17.462 -0.311 1.00 0.00 C ATOM 923 C GLU A 61 -6.199 16.202 0.357 1.00 0.00 C ATOM 924 O GLU A 61 -5.526 15.171 0.386 1.00 0.00 O ATOM 925 CB GLU A 61 -6.773 18.098 -1.160 1.00 0.00 C ATOM 926 CG GLU A 61 -6.682 17.759 -2.640 1.00 0.00 C ATOM 927 CD GLU A 61 -7.978 18.023 -3.379 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.183 19.173 -3.826 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.790 17.084 -3.510 1.00 0.00 O ATOM 0 H GLU A 61 -4.518 16.237 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.360 18.166 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.742 17.773 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.732 19.181 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.883 18.345 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.411 16.709 -2.753 1.00 0.00 H new ATOM 936 N GLY A 62 -7.416 16.287 0.880 1.00 0.00 N ATOM 937 CA GLY A 62 -8.030 15.137 1.512 1.00 0.00 C ATOM 938 C GLY A 62 -8.639 14.202 0.491 1.00 0.00 C ATOM 939 O GLY A 62 -9.418 13.313 0.834 1.00 0.00 O ATOM 0 H GLY A 62 -7.988 17.132 0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.283 14.601 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.801 15.471 2.207 1.00 0.00 H new ATOM 943 N GLY A 63 -8.275 14.409 -0.772 1.00 0.00 N ATOM 944 CA GLY A 63 -8.789 13.575 -1.842 1.00 0.00 C ATOM 945 C GLY A 63 -8.238 12.165 -1.793 1.00 0.00 C ATOM 946 O GLY A 63 -8.625 11.313 -2.594 1.00 0.00 O ATOM 0 H GLY A 63 -7.632 15.141 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.877 13.539 -1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.539 14.026 -2.802 1.00 0.00 H new ATOM 950 N THR A 64 -7.343 11.913 -0.843 1.00 0.00 N ATOM 951 CA THR A 64 -6.753 10.589 -0.687 1.00 0.00 C ATOM 952 C THR A 64 -7.763 9.631 -0.073 1.00 0.00 C ATOM 953 O THR A 64 -7.489 8.441 0.086 1.00 0.00 O ATOM 954 CB THR A 64 -5.496 10.655 0.182 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.835 10.650 1.558 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.649 11.882 -0.081 1.00 0.00 C ATOM 0 H THR A 64 -7.012 12.606 -0.172 1.00 0.00 H new ATOM 0 HA THR A 64 -6.471 10.222 -1.674 1.00 0.00 H new ATOM 0 HB THR A 64 -4.916 9.771 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.017 10.691 2.097 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.774 11.866 0.569 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.328 11.886 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.235 12.779 0.121 1.00 0.00 H new ATOM 964 N GLU A 65 -8.931 10.165 0.272 1.00 0.00 N ATOM 965 CA GLU A 65 -10.011 9.362 0.827 1.00 0.00 C ATOM 966 C GLU A 65 -10.349 8.214 -0.108 1.00 0.00 C ATOM 967 O GLU A 65 -10.872 7.181 0.309 1.00 0.00 O ATOM 968 CB GLU A 65 -11.250 10.228 1.034 1.00 0.00 C ATOM 969 CG GLU A 65 -11.683 10.980 -0.215 1.00 0.00 C ATOM 970 CD GLU A 65 -13.106 10.655 -0.628 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.994 10.660 0.249 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.330 10.400 -1.831 1.00 0.00 O ATOM 0 H GLU A 65 -9.152 11.156 0.175 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.685 8.958 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.072 9.597 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.052 10.946 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.596 12.052 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.006 10.736 -1.034 1.00 0.00 H new ATOM 979 N ALA A 66 -10.022 8.409 -1.377 1.00 0.00 N ATOM 980 CA ALA A 66 -10.291 7.416 -2.408 1.00 0.00 C ATOM 981 C ALA A 66 -9.645 6.081 -2.070 1.00 0.00 C ATOM 982 O ALA A 66 -10.130 5.031 -2.480 1.00 0.00 O ATOM 983 CB ALA A 66 -9.789 7.904 -3.758 1.00 0.00 C ATOM 0 H ALA A 66 -9.566 9.254 -1.720 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.370 7.272 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.998 7.151 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.295 8.833 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.714 8.078 -3.705 1.00 0.00 H new ATOM 989 N ALA A 67 -8.577 6.124 -1.282 1.00 0.00 N ATOM 990 CA ALA A 67 -7.866 4.911 -0.901 1.00 0.00 C ATOM 991 C ALA A 67 -8.792 3.957 -0.158 1.00 0.00 C ATOM 992 O ALA A 67 -8.859 2.770 -0.475 1.00 0.00 O ATOM 993 CB ALA A 67 -6.657 5.256 -0.044 1.00 0.00 C ATOM 0 H ALA A 67 -8.186 6.983 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.520 4.414 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.135 4.340 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.983 5.901 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.986 5.774 0.857 1.00 0.00 H new ATOM 999 N GLU A 68 -9.497 4.482 0.837 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.458 3.706 1.581 1.00 0.00 C ATOM 1001 C GLU A 68 -11.552 3.226 0.649 1.00 0.00 C ATOM 1002 O GLU A 68 -12.001 2.083 0.715 1.00 0.00 O ATOM 1003 CB GLU A 68 -11.020 4.567 2.691 1.00 0.00 C ATOM 1004 CG GLU A 68 -12.468 4.901 2.518 1.00 0.00 C ATOM 1005 CD GLU A 68 -13.335 4.407 3.660 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -13.118 4.853 4.806 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -14.231 3.575 3.409 1.00 0.00 O ATOM 0 H GLU A 68 -9.413 5.452 1.143 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.984 2.829 2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.886 4.051 3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.447 5.492 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.577 5.982 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.826 4.467 1.584 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.968 4.131 -0.221 1.00 0.00 N ATOM 1015 CA GLU A 69 -13.006 3.831 -1.197 1.00 0.00 C ATOM 1016 C GLU A 69 -12.610 2.610 -2.012 1.00 0.00 C ATOM 1017 O GLU A 69 -13.414 1.702 -2.227 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.240 5.029 -2.119 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.707 5.299 -2.408 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.289 4.338 -3.426 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.726 4.237 -4.536 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.309 3.688 -3.115 1.00 0.00 O ATOM 0 H GLU A 69 -11.603 5.082 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.935 3.620 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.799 5.917 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.718 4.859 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.275 5.227 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.819 6.320 -2.773 1.00 0.00 H new ATOM 1029 N SER A 70 -11.364 2.604 -2.473 1.00 0.00 N ATOM 1030 CA SER A 70 -10.830 1.476 -3.215 1.00 0.00 C ATOM 1031 C SER A 70 -10.679 0.269 -2.301 1.00 0.00 C ATOM 1032 O SER A 70 -10.690 -0.872 -2.756 1.00 0.00 O ATOM 1033 CB SER A 70 -9.482 1.841 -3.844 1.00 0.00 C ATOM 1034 OG SER A 70 -8.426 1.688 -2.912 1.00 0.00 O ATOM 0 H SER A 70 -10.706 3.372 -2.343 1.00 0.00 H new ATOM 0 HA SER A 70 -11.527 1.223 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.299 1.208 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.510 2.871 -4.200 1.00 0.00 H new ATOM 0 HG SER A 70 -8.705 2.040 -2.041 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.551 0.538 -1.004 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.400 -0.518 -0.009 1.00 0.00 C ATOM 1042 C LEU A 71 -11.722 -1.241 0.210 1.00 0.00 C ATOM 1043 O LEU A 71 -11.747 -2.435 0.513 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.901 0.073 1.312 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.514 -0.396 1.764 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.517 -1.892 2.039 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.460 -0.042 0.723 1.00 0.00 C ATOM 0 H LEU A 71 -10.549 1.482 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.668 -1.237 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.886 1.159 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.620 -0.171 2.094 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.264 0.121 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.523 -2.205 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.238 -2.116 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.792 -2.428 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.483 -0.384 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.705 -0.527 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.437 1.038 0.581 1.00 0.00 H new ATOM 1059 N SER A 72 -12.823 -0.514 0.033 1.00 0.00 N ATOM 1060 CA SER A 72 -14.156 -1.091 0.194 1.00 0.00 C ATOM 1061 C SER A 72 -14.400 -2.190 -0.841 1.00 0.00 C ATOM 1062 O SER A 72 -15.363 -2.949 -0.744 1.00 0.00 O ATOM 1063 CB SER A 72 -15.225 -0.003 0.066 1.00 0.00 C ATOM 1064 OG SER A 72 -15.777 0.024 -1.239 1.00 0.00 O ATOM 0 H SER A 72 -12.819 0.474 -0.221 1.00 0.00 H new ATOM 0 HA SER A 72 -14.218 -1.533 1.188 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.016 -0.180 0.795 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.788 0.968 0.299 1.00 0.00 H new ATOM 0 HG SER A 72 -15.174 0.510 -1.839 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.507 -2.269 -1.823 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.610 -3.280 -2.860 1.00 0.00 C ATOM 1072 C GLY A 73 -12.248 -3.648 -3.410 1.00 0.00 C ATOM 1073 O GLY A 73 -12.119 -4.069 -4.560 1.00 0.00 O ATOM 0 H GLY A 73 -12.706 -1.644 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.094 -4.170 -2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.243 -2.912 -3.668 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.235 -3.472 -2.574 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.852 -3.746 -2.945 1.00 0.00 C ATOM 1079 C ILE A 74 -9.582 -5.251 -3.023 1.00 0.00 C ATOM 1080 O ILE A 74 -10.512 -6.055 -3.022 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.893 -3.088 -1.926 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.569 -2.710 -2.591 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.658 -3.995 -0.726 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.378 -1.217 -2.736 1.00 0.00 C ATOM 0 H ILE A 74 -11.348 -3.135 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.678 -3.322 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.365 -2.174 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.746 -3.119 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.520 -3.173 -3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.980 -3.505 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.608 -4.196 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.218 -4.934 -1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.419 -1.018 -3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.181 -0.805 -3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.395 -0.751 -1.751 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.300 -5.614 -3.073 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.883 -7.006 -3.128 1.00 0.00 C ATOM 1098 C GLU A 75 -8.555 -7.825 -2.028 1.00 0.00 C ATOM 1099 O GLU A 75 -8.054 -7.910 -0.907 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.360 -7.073 -2.985 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.656 -7.595 -4.224 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.590 -6.572 -5.342 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -6.577 -5.831 -5.533 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.547 -6.512 -6.028 1.00 0.00 O ATOM 0 H GLU A 75 -7.527 -4.949 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.184 -7.430 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.981 -6.077 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.111 -7.713 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.644 -7.901 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.174 -8.484 -4.583 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.702 -8.419 -2.361 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.440 -9.217 -1.398 1.00 0.00 C ATOM 1113 C GLY A 76 -9.639 -10.397 -0.889 1.00 0.00 C ATOM 1114 O GLY A 76 -9.863 -10.876 0.223 1.00 0.00 O ATOM 0 H GLY A 76 -10.132 -8.360 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.730 -8.588 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.360 -9.578 -1.858 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.696 -10.858 -1.702 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.841 -11.973 -1.323 1.00 0.00 C ATOM 1120 C VAL A 77 -6.633 -11.467 -0.554 1.00 0.00 C ATOM 1121 O VAL A 77 -6.206 -12.071 0.430 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.372 -12.769 -2.559 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.201 -12.085 -3.252 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -7.009 -14.193 -2.166 1.00 0.00 C ATOM 0 H VAL A 77 -8.505 -10.476 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.426 -12.640 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.199 -12.803 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.897 -12.673 -4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.502 -11.089 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.365 -12.003 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.680 -14.741 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.205 -14.174 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.881 -14.686 -1.737 1.00 0.00 H new ATOM 1134 N SER A 78 -6.126 -10.323 -0.982 1.00 0.00 N ATOM 1135 CA SER A 78 -4.978 -9.707 -0.350 1.00 0.00 C ATOM 1136 C SER A 78 -5.423 -8.656 0.657 1.00 0.00 C ATOM 1137 O SER A 78 -5.593 -7.487 0.311 1.00 0.00 O ATOM 1138 CB SER A 78 -4.078 -9.067 -1.410 1.00 0.00 C ATOM 1139 OG SER A 78 -4.009 -9.872 -2.574 1.00 0.00 O ATOM 0 H SER A 78 -6.499 -9.799 -1.774 1.00 0.00 H new ATOM 0 HA SER A 78 -4.417 -10.478 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.461 -8.080 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.077 -8.924 -1.003 1.00 0.00 H new ATOM 0 HG SER A 78 -3.311 -9.527 -3.169 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.623 -9.078 1.904 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.018 -8.144 2.950 1.00 0.00 C ATOM 1147 C ASN A 79 -4.817 -7.342 3.379 1.00 0.00 C ATOM 1148 O ASN A 79 -3.748 -7.888 3.657 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.633 -8.858 4.152 1.00 0.00 C ATOM 1150 CG ASN A 79 -6.515 -8.064 5.455 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -6.285 -8.649 6.514 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -6.683 -6.733 5.405 1.00 0.00 N ATOM 0 H ASN A 79 -5.519 -10.046 2.209 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.783 -7.482 2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.686 -9.055 3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.147 -9.825 4.279 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.621 -6.179 6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.872 -6.276 4.513 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.996 -6.044 3.411 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.919 -5.143 3.707 1.00 0.00 C ATOM 1161 C ILE A 80 -3.959 -4.639 5.137 1.00 0.00 C ATOM 1162 O ILE A 80 -5.030 -4.441 5.712 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.993 -3.932 2.774 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.197 -4.379 1.328 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.748 -3.087 2.911 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.638 -4.321 0.876 1.00 0.00 C ATOM 0 H ILE A 80 -5.891 -5.588 3.233 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.993 -5.699 3.564 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.851 -3.323 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.594 -3.750 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.830 -5.399 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.815 -2.229 2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.656 -2.738 3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.873 -3.683 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.708 -4.652 -0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.244 -4.972 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.003 -3.297 0.955 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.781 -4.359 5.675 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.671 -3.727 6.969 1.00 0.00 C ATOM 1180 C GLU A 81 -2.765 -2.236 6.732 1.00 0.00 C ATOM 1181 O GLU A 81 -1.764 -1.517 6.745 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.349 -4.089 7.650 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.262 -3.628 9.095 1.00 0.00 C ATOM 1184 CD GLU A 81 -0.884 -4.749 10.043 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -1.783 -5.518 10.443 1.00 0.00 O ATOM 1186 OE2 GLU A 81 0.312 -4.857 10.388 1.00 0.00 O ATOM 0 H GLU A 81 -1.887 -4.563 5.228 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.465 -4.068 7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.216 -5.170 7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.527 -3.647 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.526 -2.827 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.222 -3.210 9.397 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.972 -1.811 6.385 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.234 -0.440 5.999 1.00 0.00 C ATOM 1195 C VAL A 82 -4.371 0.458 7.226 1.00 0.00 C ATOM 1196 O VAL A 82 -5.348 1.188 7.390 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.509 -0.370 5.128 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.795 1.061 4.695 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.372 -1.272 3.916 1.00 0.00 C ATOM 0 H VAL A 82 -4.796 -2.412 6.365 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.388 -0.079 5.415 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.350 -0.717 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.697 1.083 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.939 1.686 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.954 1.441 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.278 -1.211 3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.517 -0.953 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.222 -2.301 4.243 1.00 0.00 H new ATOM 1209 N THR A 83 -3.392 0.352 8.114 1.00 0.00 N ATOM 1210 CA THR A 83 -3.365 1.157 9.324 1.00 0.00 C ATOM 1211 C THR A 83 -1.989 1.779 9.545 1.00 0.00 C ATOM 1212 O THR A 83 -1.723 2.337 10.609 1.00 0.00 O ATOM 1213 CB THR A 83 -3.749 0.304 10.533 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.742 -0.645 10.184 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.277 1.116 11.693 1.00 0.00 C ATOM 0 H THR A 83 -2.603 -0.287 8.017 1.00 0.00 H new ATOM 0 HA THR A 83 -4.089 1.964 9.206 1.00 0.00 H new ATOM 0 HB THR A 83 -2.827 -0.187 10.844 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.973 -1.182 10.971 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.531 0.450 12.518 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.514 1.823 12.019 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.167 1.661 11.380 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.082 1.608 8.582 1.00 0.00 N ATOM 1224 CA ASP A 84 0.264 2.137 8.723 1.00 0.00 C ATOM 1225 C ASP A 84 0.330 3.590 8.270 1.00 0.00 C ATOM 1226 O ASP A 84 -0.278 3.970 7.270 1.00 0.00 O ATOM 1227 CB ASP A 84 1.252 1.276 7.939 1.00 0.00 C ATOM 1228 CG ASP A 84 2.690 1.507 8.365 1.00 0.00 C ATOM 1229 OD1 ASP A 84 2.922 2.375 9.232 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.584 0.817 7.831 1.00 0.00 O ATOM 0 H ASP A 84 -1.257 1.112 7.708 1.00 0.00 H new ATOM 0 HA ASP A 84 0.538 2.107 9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.000 0.224 8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.153 1.492 6.875 1.00 0.00 H new ATOM 1235 N VAL A 85 1.078 4.397 9.016 1.00 0.00 N ATOM 1236 CA VAL A 85 1.214 5.814 8.708 1.00 0.00 C ATOM 1237 C VAL A 85 2.586 6.344 9.121 1.00 0.00 C ATOM 1238 O VAL A 85 3.286 5.728 9.926 1.00 0.00 O ATOM 1239 CB VAL A 85 0.113 6.640 9.405 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.451 6.869 10.871 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.102 7.962 8.683 1.00 0.00 C ATOM 0 H VAL A 85 1.599 4.092 9.838 1.00 0.00 H new ATOM 0 HA VAL A 85 1.109 5.919 7.628 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.817 6.073 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.341 7.454 11.340 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.541 5.908 11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.395 7.409 10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.882 8.530 9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.826 8.534 8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.404 7.769 7.653 1.00 0.00 H new ATOM 1251 N ARG A 86 2.962 7.487 8.555 1.00 0.00 N ATOM 1252 CA ARG A 86 4.247 8.111 8.850 1.00 0.00 C ATOM 1253 C ARG A 86 4.152 9.626 8.722 1.00 0.00 C ATOM 1254 O ARG A 86 4.425 10.188 7.661 1.00 0.00 O ATOM 1255 CB ARG A 86 5.325 7.584 7.905 1.00 0.00 C ATOM 1256 CG ARG A 86 5.872 6.226 8.304 1.00 0.00 C ATOM 1257 CD ARG A 86 7.385 6.175 8.169 1.00 0.00 C ATOM 1258 NE ARG A 86 7.930 4.891 8.604 1.00 0.00 N ATOM 1259 CZ ARG A 86 8.520 4.700 9.780 1.00 0.00 C ATOM 1260 NH1 ARG A 86 8.639 5.705 10.638 1.00 0.00 N ATOM 1261 NH2 ARG A 86 8.989 3.501 10.101 1.00 0.00 N ATOM 0 H ARG A 86 2.391 8.002 7.885 1.00 0.00 H new ATOM 0 HA ARG A 86 4.516 7.860 9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.913 7.519 6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.146 8.300 7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.590 6.007 9.334 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.423 5.454 7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.663 6.353 7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.829 6.976 8.760 1.00 0.00 H new ATOM 0 HE ARG A 86 7.853 4.096 7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.277 6.628 10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.092 5.555 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.897 2.725 9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.442 3.355 11.003 1.00 0.00 H new ATOM 1275 N ARG A 87 3.762 10.280 9.807 1.00 0.00 N ATOM 1276 CA ARG A 87 3.621 11.730 9.812 1.00 0.00 C ATOM 1277 C ARG A 87 4.979 12.414 9.931 1.00 0.00 C ATOM 1278 O ARG A 87 5.433 12.724 11.033 1.00 0.00 O ATOM 1279 CB ARG A 87 2.713 12.171 10.961 1.00 0.00 C ATOM 1280 CG ARG A 87 1.232 12.030 10.649 1.00 0.00 C ATOM 1281 CD ARG A 87 0.533 13.380 10.647 1.00 0.00 C ATOM 1282 NE ARG A 87 -0.710 13.355 11.413 1.00 0.00 N ATOM 1283 CZ ARG A 87 -1.913 13.220 10.863 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -2.037 13.095 9.548 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -2.995 13.209 11.630 1.00 0.00 N ATOM 0 H ARG A 87 3.538 9.830 10.695 1.00 0.00 H new ATOM 0 HA ARG A 87 3.170 12.026 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.948 11.581 11.847 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.928 13.211 11.205 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.108 11.553 9.677 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.764 11.378 11.386 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.200 14.134 11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.320 13.676 9.620 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.652 13.446 12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.207 13.102 8.955 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.962 12.992 9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.904 13.304 12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.918 13.105 11.208 1.00 0.00 H new ATOM 1299 N LEU A 88 5.620 12.653 8.790 1.00 0.00 N ATOM 1300 CA LEU A 88 6.916 13.322 8.772 1.00 0.00 C ATOM 1301 C LEU A 88 6.736 14.828 8.884 1.00 0.00 C ATOM 1302 O LEU A 88 6.741 15.534 7.875 1.00 0.00 O ATOM 1303 CB LEU A 88 7.675 13.004 7.484 1.00 0.00 C ATOM 1304 CG LEU A 88 8.483 11.712 7.489 1.00 0.00 C ATOM 1305 CD1 LEU A 88 7.575 10.510 7.707 1.00 0.00 C ATOM 1306 CD2 LEU A 88 9.239 11.591 6.180 1.00 0.00 C ATOM 0 H LEU A 88 5.264 12.394 7.870 1.00 0.00 H new ATOM 0 HA LEU A 88 7.490 12.958 9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.958 12.958 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.351 13.832 7.270 1.00 0.00 H new ATOM 0 HG LEU A 88 9.198 11.737 8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.172 9.598 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.064 10.609 8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.838 10.461 6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.819 10.668 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.531 11.576 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.911 12.442 6.068 1.00 0.00 H new ATOM 1318 N MET A 89 6.566 15.312 10.111 1.00 0.00 N ATOM 1319 CA MET A 89 6.368 16.729 10.355 1.00 0.00 C ATOM 1320 C MET A 89 7.699 17.428 10.616 1.00 0.00 C ATOM 1321 O MET A 89 7.910 18.524 10.056 1.00 0.00 O ATOM 1322 CB MET A 89 5.427 16.913 11.549 1.00 0.00 C ATOM 1323 CG MET A 89 5.512 18.287 12.185 1.00 0.00 C ATOM 1324 SD MET A 89 5.068 19.614 11.046 1.00 0.00 S ATOM 1325 CE MET A 89 3.665 18.892 10.198 1.00 0.00 C ATOM 1326 OXT MET A 89 8.517 16.874 11.380 1.00 0.00 O ATOM 0 H MET A 89 6.562 14.736 10.953 1.00 0.00 H new ATOM 0 HA MET A 89 5.922 17.180 9.469 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.402 16.736 11.223 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.657 16.159 12.302 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.852 18.322 13.052 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.526 18.451 12.550 1.00 0.00 H new ATOM 0 HE1 MET A 89 3.122 19.672 9.664 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.015 18.142 9.489 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.003 18.422 10.925 1.00 0.00 H new TER 1336 MET A 89