USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 339 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 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -75:sc= 1.21 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0592 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 71 -3.364 7.309 7.983 1.00 1.00 N ATOM 2 CA MET A 71 -4.466 7.242 6.976 1.00 1.00 C ATOM 3 C MET A 71 -5.214 8.584 6.907 1.00 1.00 C ATOM 4 O MET A 71 -5.698 9.067 7.930 1.00 1.00 O ATOM 5 CB MET A 71 -5.433 6.072 7.286 1.00 1.00 C ATOM 6 CG MET A 71 -6.516 5.862 6.211 1.00 1.00 C ATOM 7 SD MET A 71 -7.587 4.429 6.532 1.00 1.00 S ATOM 8 CE MET A 71 -8.716 4.551 5.116 1.00 1.00 C ATOM 0 HA MET A 71 -4.026 7.051 5.997 1.00 1.00 H new ATOM 0 HB2 MET A 71 -4.856 5.154 7.392 1.00 1.00 H new ATOM 0 HB3 MET A 71 -5.917 6.257 8.245 1.00 1.00 H new ATOM 0 HG2 MET A 71 -7.132 6.759 6.147 1.00 1.00 H new ATOM 0 HG3 MET A 71 -6.035 5.736 5.241 1.00 1.00 H new ATOM 0 HE1 MET A 71 -9.443 3.740 5.160 1.00 1.00 H new ATOM 0 HE2 MET A 71 -9.237 5.508 5.147 1.00 1.00 H new ATOM 0 HE3 MET A 71 -8.147 4.478 4.189 1.00 1.00 H new ATOM 20 N SER A 72 -5.308 9.187 5.714 1.00 1.00 N ATOM 21 CA SER A 72 -5.895 10.531 5.497 1.00 1.00 C ATOM 22 C SER A 72 -6.829 10.638 4.275 1.00 1.00 C ATOM 23 O SER A 72 -7.386 11.707 4.013 1.00 1.00 O ATOM 24 CB SER A 72 -4.758 11.560 5.391 1.00 1.00 C ATOM 25 OG SER A 72 -3.876 11.229 4.326 1.00 1.00 O ATOM 0 H SER A 72 -4.975 8.753 4.853 1.00 1.00 H new ATOM 0 HA SER A 72 -6.533 10.733 6.358 1.00 1.00 H new ATOM 0 HB2 SER A 72 -5.175 12.554 5.229 1.00 1.00 H new ATOM 0 HB3 SER A 72 -4.205 11.596 6.330 1.00 1.00 H new ATOM 0 HG SER A 72 -3.161 11.897 4.274 1.00 1.00 H new ATOM 31 N THR A 73 -7.045 9.537 3.543 1.00 1.00 N ATOM 32 CA THR A 73 -7.896 9.449 2.337 1.00 1.00 C ATOM 33 C THR A 73 -8.720 8.148 2.320 1.00 1.00 C ATOM 34 O THR A 73 -8.456 7.224 3.094 1.00 1.00 O ATOM 35 CB THR A 73 -7.077 9.572 1.045 1.00 1.00 C ATOM 36 OG1 THR A 73 -6.209 8.467 0.881 1.00 1.00 O ATOM 37 CG2 THR A 73 -6.244 10.855 0.953 1.00 1.00 C ATOM 0 H THR A 73 -6.616 8.643 3.781 1.00 1.00 H new ATOM 0 HA THR A 73 -8.584 10.294 2.382 1.00 1.00 H new ATOM 0 HB THR A 73 -7.822 9.601 0.250 1.00 1.00 H new ATOM 0 HG1 THR A 73 -5.701 8.571 0.049 1.00 1.00 H new ATOM 0 HG21 THR A 73 -5.695 10.866 0.011 1.00 1.00 H new ATOM 0 HG22 THR A 73 -6.904 11.721 0.998 1.00 1.00 H new ATOM 0 HG23 THR A 73 -5.540 10.892 1.784 1.00 1.00 H new ATOM 45 N VAL A 74 -9.736 8.071 1.448 1.00 1.00 N ATOM 46 CA VAL A 74 -10.623 6.898 1.282 1.00 1.00 C ATOM 47 C VAL A 74 -11.015 6.712 -0.199 1.00 1.00 C ATOM 48 O VAL A 74 -11.206 7.714 -0.897 1.00 1.00 O ATOM 49 CB VAL A 74 -11.853 7.032 2.208 1.00 1.00 C ATOM 50 CG1 VAL A 74 -12.684 8.302 1.966 1.00 1.00 C ATOM 51 CG2 VAL A 74 -12.806 5.833 2.194 1.00 1.00 C ATOM 0 H VAL A 74 -9.974 8.839 0.821 1.00 1.00 H new ATOM 0 HA VAL A 74 -10.087 5.996 1.577 1.00 1.00 H new ATOM 0 HB VAL A 74 -11.383 7.087 3.190 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -13.528 8.321 2.655 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -12.061 9.181 2.131 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -13.053 8.306 0.940 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -13.637 6.021 2.874 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -13.190 5.685 1.185 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -12.271 4.939 2.513 1.00 1.00 H new ATOM 61 N PRO A 75 -11.136 5.464 -0.701 1.00 1.00 N ATOM 62 CA PRO A 75 -11.620 5.158 -2.050 1.00 1.00 C ATOM 63 C PRO A 75 -12.909 5.886 -2.472 1.00 1.00 C ATOM 64 O PRO A 75 -13.791 6.168 -1.654 1.00 1.00 O ATOM 65 CB PRO A 75 -11.805 3.643 -2.081 1.00 1.00 C ATOM 66 CG PRO A 75 -10.759 3.137 -1.095 1.00 1.00 C ATOM 67 CD PRO A 75 -10.746 4.233 -0.028 1.00 1.00 C ATOM 0 HA PRO A 75 -10.891 5.518 -2.776 1.00 1.00 H new ATOM 0 HB2 PRO A 75 -12.812 3.355 -1.780 1.00 1.00 H new ATOM 0 HB3 PRO A 75 -11.643 3.239 -3.080 1.00 1.00 H new ATOM 0 HG2 PRO A 75 -11.032 2.168 -0.677 1.00 1.00 H new ATOM 0 HG3 PRO A 75 -9.783 3.018 -1.565 1.00 1.00 H new ATOM 0 HD2 PRO A 75 -11.437 3.996 0.781 1.00 1.00 H new ATOM 0 HD3 PRO A 75 -9.756 4.330 0.417 1.00 1.00 H new ATOM 75 N LYS A 76 -13.041 6.105 -3.787 1.00 1.00 N ATOM 76 CA LYS A 76 -14.179 6.772 -4.449 1.00 1.00 C ATOM 77 C LYS A 76 -14.779 5.941 -5.590 1.00 1.00 C ATOM 78 O LYS A 76 -15.990 5.963 -5.780 1.00 1.00 O ATOM 79 CB LYS A 76 -13.766 8.194 -4.882 1.00 1.00 C ATOM 80 CG LYS A 76 -14.955 9.048 -5.354 1.00 1.00 C ATOM 81 CD LYS A 76 -14.535 10.514 -5.567 1.00 1.00 C ATOM 82 CE LYS A 76 -15.652 11.376 -6.181 1.00 1.00 C ATOM 83 NZ LYS A 76 -16.754 11.668 -5.215 1.00 1.00 N ATOM 0 H LYS A 76 -12.326 5.810 -4.452 1.00 1.00 H new ATOM 0 HA LYS A 76 -14.991 6.862 -3.727 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -13.276 8.694 -4.047 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -13.034 8.125 -5.686 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -15.352 8.641 -6.284 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -15.757 9.000 -4.617 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -14.236 10.943 -4.611 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -13.661 10.545 -6.217 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -15.227 12.315 -6.535 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -16.063 10.864 -7.051 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -17.478 12.251 -5.681 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -17.181 10.775 -4.895 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -16.371 12.181 -4.396 1.00 1.00 H new ATOM 97 N TYR A 77 -13.972 5.132 -6.278 1.00 1.00 N ATOM 98 CA TYR A 77 -14.389 4.308 -7.424 1.00 1.00 C ATOM 99 C TYR A 77 -13.773 2.902 -7.349 1.00 1.00 C ATOM 100 O TYR A 77 -12.658 2.748 -6.844 1.00 1.00 O ATOM 101 CB TYR A 77 -13.945 4.983 -8.733 1.00 1.00 C ATOM 102 CG TYR A 77 -14.323 6.442 -8.920 1.00 1.00 C ATOM 103 CD1 TYR A 77 -13.477 7.445 -8.411 1.00 1.00 C ATOM 104 CD2 TYR A 77 -15.455 6.802 -9.676 1.00 1.00 C ATOM 105 CE1 TYR A 77 -13.758 8.802 -8.658 1.00 1.00 C ATOM 106 CE2 TYR A 77 -15.733 8.158 -9.936 1.00 1.00 C ATOM 107 CZ TYR A 77 -14.885 9.165 -9.423 1.00 1.00 C ATOM 108 OH TYR A 77 -15.150 10.481 -9.646 1.00 1.00 O ATOM 0 H TYR A 77 -12.983 5.026 -6.051 1.00 1.00 H new ATOM 0 HA TYR A 77 -15.475 4.214 -7.398 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -12.860 4.902 -8.805 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -14.362 4.416 -9.565 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -12.609 7.173 -7.829 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -16.113 6.035 -10.058 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -13.108 9.567 -8.260 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -16.595 8.428 -10.528 1.00 1.00 H new ATOM 0 HH TYR A 77 -15.960 10.564 -10.191 1.00 1.00 H new ATOM 118 N ARG A 78 -14.458 1.891 -7.901 1.00 1.00 N ATOM 119 CA ARG A 78 -13.957 0.510 -8.022 1.00 1.00 C ATOM 120 C ARG A 78 -14.437 -0.166 -9.311 1.00 1.00 C ATOM 121 O ARG A 78 -15.631 -0.395 -9.490 1.00 1.00 O ATOM 122 CB ARG A 78 -14.354 -0.308 -6.778 1.00 1.00 C ATOM 123 CG ARG A 78 -13.614 -1.655 -6.752 1.00 1.00 C ATOM 124 CD ARG A 78 -13.810 -2.407 -5.431 1.00 1.00 C ATOM 125 NE ARG A 78 -12.803 -3.479 -5.293 1.00 1.00 N ATOM 126 CZ ARG A 78 -12.772 -4.447 -4.396 1.00 1.00 C ATOM 127 NH1 ARG A 78 -13.708 -4.602 -3.504 1.00 1.00 N ATOM 128 NH2 ARG A 78 -11.775 -5.284 -4.393 1.00 1.00 N ATOM 0 H ARG A 78 -15.396 2.010 -8.285 1.00 1.00 H new ATOM 0 HA ARG A 78 -12.869 0.552 -8.080 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -14.121 0.258 -5.876 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -15.430 -0.479 -6.778 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -13.967 -2.276 -7.576 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -12.550 -1.484 -6.915 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -13.728 -1.713 -4.595 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -14.812 -2.834 -5.394 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.041 -3.470 -5.971 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.502 -3.962 -3.482 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -13.647 -5.363 -2.828 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -11.027 -5.188 -5.080 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -11.742 -6.035 -3.704 1.00 1.00 H new ATOM 142 N ASP A 79 -13.496 -0.505 -10.186 1.00 1.00 N ATOM 143 CA ASP A 79 -13.725 -1.161 -11.474 1.00 1.00 C ATOM 144 C ASP A 79 -14.328 -2.577 -11.301 1.00 1.00 C ATOM 145 O ASP A 79 -13.670 -3.441 -10.713 1.00 1.00 O ATOM 146 CB ASP A 79 -12.385 -1.271 -12.209 1.00 1.00 C ATOM 147 CG ASP A 79 -12.529 -2.107 -13.488 1.00 1.00 C ATOM 148 OD1 ASP A 79 -13.313 -1.722 -14.388 1.00 1.00 O ATOM 149 OD2 ASP A 79 -11.893 -3.184 -13.558 1.00 1.00 O ATOM 0 H ASP A 79 -12.508 -0.323 -10.011 1.00 1.00 H new ATOM 0 HA ASP A 79 -14.438 -0.564 -12.043 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -12.020 -0.275 -12.460 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -11.643 -1.726 -11.554 1.00 1.00 H new ATOM 154 N PRO A 80 -15.537 -2.869 -11.822 1.00 1.00 N ATOM 155 CA PRO A 80 -16.176 -4.179 -11.656 1.00 1.00 C ATOM 156 C PRO A 80 -15.520 -5.305 -12.478 1.00 1.00 C ATOM 157 O PRO A 80 -15.693 -6.481 -12.143 1.00 1.00 O ATOM 158 CB PRO A 80 -17.638 -3.966 -12.066 1.00 1.00 C ATOM 159 CG PRO A 80 -17.563 -2.816 -13.067 1.00 1.00 C ATOM 160 CD PRO A 80 -16.432 -1.955 -12.513 1.00 1.00 C ATOM 0 HA PRO A 80 -16.072 -4.518 -10.625 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -18.063 -4.863 -12.516 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -18.262 -3.712 -11.209 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -17.344 -3.171 -14.074 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -18.502 -2.265 -13.120 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -15.912 -1.430 -13.315 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -16.817 -1.196 -11.832 1.00 1.00 H new ATOM 168 N ALA A 81 -14.771 -4.979 -13.541 1.00 1.00 N ATOM 169 CA ALA A 81 -14.140 -5.964 -14.423 1.00 1.00 C ATOM 170 C ALA A 81 -12.885 -6.631 -13.813 1.00 1.00 C ATOM 171 O ALA A 81 -12.619 -7.801 -14.097 1.00 1.00 O ATOM 172 CB ALA A 81 -13.809 -5.271 -15.751 1.00 1.00 C ATOM 0 H ALA A 81 -14.586 -4.014 -13.813 1.00 1.00 H new ATOM 0 HA ALA A 81 -14.844 -6.782 -14.577 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -13.337 -5.985 -16.426 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -14.726 -4.895 -16.204 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -13.128 -4.440 -15.568 1.00 1.00 H new ATOM 178 N THR A 82 -12.139 -5.915 -12.960 1.00 1.00 N ATOM 179 CA THR A 82 -10.845 -6.361 -12.390 1.00 1.00 C ATOM 180 C THR A 82 -10.716 -6.188 -10.870 1.00 1.00 C ATOM 181 O THR A 82 -9.841 -6.803 -10.259 1.00 1.00 O ATOM 182 CB THR A 82 -9.661 -5.652 -13.048 1.00 1.00 C ATOM 183 OG1 THR A 82 -9.658 -4.270 -12.783 1.00 1.00 O ATOM 184 CG2 THR A 82 -9.632 -5.894 -14.552 1.00 1.00 C ATOM 0 H THR A 82 -12.418 -4.989 -12.636 1.00 1.00 H new ATOM 0 HA THR A 82 -10.828 -7.430 -12.604 1.00 1.00 H new ATOM 0 HB THR A 82 -8.761 -6.082 -12.608 1.00 1.00 H new ATOM 0 HG1 THR A 82 -10.350 -3.832 -13.321 1.00 1.00 H new ATOM 0 HG21 THR A 82 -8.778 -5.376 -14.988 1.00 1.00 H new ATOM 0 HG22 THR A 82 -9.546 -6.963 -14.747 1.00 1.00 H new ATOM 0 HG23 THR A 82 -10.552 -5.517 -14.999 1.00 1.00 H new ATOM 192 N GLY A 83 -11.570 -5.367 -10.245 1.00 1.00 N ATOM 193 CA GLY A 83 -11.559 -5.087 -8.804 1.00 1.00 C ATOM 194 C GLY A 83 -10.671 -3.908 -8.375 1.00 1.00 C ATOM 195 O GLY A 83 -10.644 -3.588 -7.183 1.00 1.00 O ATOM 0 H GLY A 83 -12.307 -4.866 -10.741 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -12.581 -4.888 -8.481 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.226 -5.982 -8.278 1.00 1.00 H new ATOM 199 N LYS A 84 -9.954 -3.263 -9.310 1.00 1.00 N ATOM 200 CA LYS A 84 -9.078 -2.097 -9.072 1.00 1.00 C ATOM 201 C LYS A 84 -9.840 -0.892 -8.512 1.00 1.00 C ATOM 202 O LYS A 84 -11.004 -0.683 -8.842 1.00 1.00 O ATOM 203 CB LYS A 84 -8.365 -1.722 -10.384 1.00 1.00 C ATOM 204 CG LYS A 84 -7.303 -2.775 -10.733 1.00 1.00 C ATOM 205 CD LYS A 84 -6.595 -2.434 -12.050 1.00 1.00 C ATOM 206 CE LYS A 84 -5.579 -3.533 -12.400 1.00 1.00 C ATOM 207 NZ LYS A 84 -4.860 -3.231 -13.668 1.00 1.00 N ATOM 0 H LYS A 84 -9.967 -3.547 -10.289 1.00 1.00 H new ATOM 0 HA LYS A 84 -8.345 -2.379 -8.316 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -9.092 -1.647 -11.193 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -7.897 -0.743 -10.284 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -6.570 -2.837 -9.929 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -7.772 -3.756 -10.813 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -7.327 -2.336 -12.851 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -6.088 -1.473 -11.962 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -4.859 -3.635 -11.588 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -6.094 -4.489 -12.492 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -4.183 -3.993 -13.873 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -5.545 -3.158 -14.447 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -4.349 -2.331 -13.571 1.00 1.00 H new ATOM 221 N THR A 85 -9.172 -0.071 -7.703 1.00 1.00 N ATOM 222 CA THR A 85 -9.765 1.078 -6.982 1.00 1.00 C ATOM 223 C THR A 85 -9.063 2.405 -7.286 1.00 1.00 C ATOM 224 O THR A 85 -7.895 2.433 -7.681 1.00 1.00 O ATOM 225 CB THR A 85 -9.742 0.859 -5.456 1.00 1.00 C ATOM 226 OG1 THR A 85 -8.449 0.464 -5.028 1.00 1.00 O ATOM 227 CG2 THR A 85 -10.734 -0.209 -5.003 1.00 1.00 C ATOM 0 H THR A 85 -8.175 -0.181 -7.519 1.00 1.00 H new ATOM 0 HA THR A 85 -10.793 1.139 -7.340 1.00 1.00 H new ATOM 0 HB THR A 85 -10.024 1.813 -5.010 1.00 1.00 H new ATOM 0 HG1 THR A 85 -8.452 0.331 -4.057 1.00 1.00 H new ATOM 0 HG21 THR A 85 -10.677 -0.323 -3.921 1.00 1.00 H new ATOM 0 HG22 THR A 85 -11.744 0.090 -5.283 1.00 1.00 H new ATOM 0 HG23 THR A 85 -10.491 -1.158 -5.481 1.00 1.00 H new ATOM 235 N TRP A 86 -9.779 3.516 -7.069 1.00 1.00 N ATOM 236 CA TRP A 86 -9.242 4.885 -7.128 1.00 1.00 C ATOM 237 C TRP A 86 -10.000 5.814 -6.160 1.00 1.00 C ATOM 238 O TRP A 86 -11.113 5.488 -5.740 1.00 1.00 O ATOM 239 CB TRP A 86 -9.276 5.377 -8.582 1.00 1.00 C ATOM 240 CG TRP A 86 -8.676 6.730 -8.812 1.00 1.00 C ATOM 241 CD1 TRP A 86 -7.409 7.099 -8.514 1.00 1.00 C ATOM 242 CD2 TRP A 86 -9.313 7.921 -9.363 1.00 1.00 C ATOM 243 NE1 TRP A 86 -7.242 8.441 -8.793 1.00 1.00 N ATOM 244 CE2 TRP A 86 -8.382 9.000 -9.322 1.00 1.00 C ATOM 245 CE3 TRP A 86 -10.592 8.202 -9.875 1.00 1.00 C ATOM 246 CZ2 TRP A 86 -8.717 10.297 -9.731 1.00 1.00 C ATOM 247 CZ3 TRP A 86 -10.945 9.499 -10.288 1.00 1.00 C ATOM 248 CH2 TRP A 86 -10.018 10.548 -10.198 1.00 1.00 C ATOM 0 H TRP A 86 -10.773 3.489 -6.842 1.00 1.00 H new ATOM 0 HA TRP A 86 -8.203 4.893 -6.798 1.00 1.00 H new ATOM 0 HB2 TRP A 86 -8.751 4.654 -9.206 1.00 1.00 H new ATOM 0 HB3 TRP A 86 -10.313 5.395 -8.918 1.00 1.00 H new ATOM 0 HD1 TRP A 86 -6.646 6.445 -8.119 1.00 1.00 H new ATOM 0 HE1 TRP A 86 -6.377 8.956 -8.627 1.00 1.00 H new ATOM 0 HE3 TRP A 86 -11.318 7.406 -9.953 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 -7.987 11.092 -9.688 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 -11.935 9.688 -10.676 1.00 1.00 H new ATOM 0 HH2 TRP A 86 -10.304 11.548 -10.488 1.00 1.00 H new ATOM 259 N SER A 87 -9.443 6.987 -5.840 1.00 1.00 N ATOM 260 CA SER A 87 -9.927 7.859 -4.745 1.00 1.00 C ATOM 261 C SER A 87 -10.161 9.336 -5.101 1.00 1.00 C ATOM 262 O SER A 87 -10.290 10.171 -4.204 1.00 1.00 O ATOM 263 CB SER A 87 -8.942 7.764 -3.567 1.00 1.00 C ATOM 264 OG SER A 87 -8.618 6.414 -3.257 1.00 1.00 O ATOM 0 H SER A 87 -8.636 7.368 -6.334 1.00 1.00 H new ATOM 0 HA SER A 87 -10.919 7.481 -4.495 1.00 1.00 H new ATOM 0 HB2 SER A 87 -8.030 8.310 -3.810 1.00 1.00 H new ATOM 0 HB3 SER A 87 -9.377 8.244 -2.690 1.00 1.00 H new ATOM 0 HG SER A 87 -7.989 6.393 -2.506 1.00 1.00 H new ATOM 270 N GLY A 88 -10.213 9.689 -6.391 1.00 1.00 N ATOM 271 CA GLY A 88 -10.485 11.074 -6.822 1.00 1.00 C ATOM 272 C GLY A 88 -9.275 12.023 -6.749 1.00 1.00 C ATOM 273 O GLY A 88 -9.458 13.240 -6.821 1.00 1.00 O ATOM 0 H GLY A 88 -10.070 9.035 -7.161 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.852 11.055 -7.848 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -11.286 11.481 -6.205 1.00 1.00 H new ATOM 277 N ARG A 89 -8.056 11.485 -6.578 1.00 1.00 N ATOM 278 CA ARG A 89 -6.793 12.235 -6.388 1.00 1.00 C ATOM 279 C ARG A 89 -5.653 11.653 -7.236 1.00 1.00 C ATOM 280 O ARG A 89 -5.665 10.465 -7.564 1.00 1.00 O ATOM 281 CB ARG A 89 -6.410 12.231 -4.893 1.00 1.00 C ATOM 282 CG ARG A 89 -7.408 12.998 -4.009 1.00 1.00 C ATOM 283 CD ARG A 89 -6.975 12.963 -2.539 1.00 1.00 C ATOM 284 NE ARG A 89 -7.929 13.698 -1.682 1.00 1.00 N ATOM 285 CZ ARG A 89 -7.885 14.975 -1.336 1.00 1.00 C ATOM 286 NH1 ARG A 89 -6.939 15.778 -1.738 1.00 1.00 N ATOM 287 NH2 ARG A 89 -8.808 15.479 -0.567 1.00 1.00 N ATOM 0 H ARG A 89 -7.913 10.475 -6.567 1.00 1.00 H new ATOM 0 HA ARG A 89 -6.952 13.261 -6.721 1.00 1.00 H new ATOM 0 HB2 ARG A 89 -6.344 11.200 -4.545 1.00 1.00 H new ATOM 0 HB3 ARG A 89 -5.420 12.671 -4.777 1.00 1.00 H new ATOM 0 HG2 ARG A 89 -7.479 14.032 -4.347 1.00 1.00 H new ATOM 0 HG3 ARG A 89 -8.401 12.560 -4.110 1.00 1.00 H new ATOM 0 HD2 ARG A 89 -6.903 11.929 -2.203 1.00 1.00 H new ATOM 0 HD3 ARG A 89 -5.982 13.400 -2.439 1.00 1.00 H new ATOM 0 HE ARG A 89 -8.713 13.158 -1.314 1.00 1.00 H new ATOM 0 HH11 ARG A 89 -6.196 15.428 -2.342 1.00 1.00 H new ATOM 0 HH12 ARG A 89 -6.943 16.756 -1.448 1.00 1.00 H new ATOM 0 HH21 ARG A 89 -9.568 14.889 -0.229 1.00 1.00 H new ATOM 0 HH22 ARG A 89 -8.770 16.463 -0.303 1.00 1.00 H new ATOM 301 N GLY A 90 -4.657 12.479 -7.570 1.00 1.00 N ATOM 302 CA GLY A 90 -3.571 12.108 -8.493 1.00 1.00 C ATOM 303 C GLY A 90 -4.052 11.865 -9.935 1.00 1.00 C ATOM 304 O GLY A 90 -5.173 12.228 -10.304 1.00 1.00 O ATOM 0 H GLY A 90 -4.578 13.429 -7.208 1.00 1.00 H new ATOM 0 HA2 GLY A 90 -2.821 12.899 -8.496 1.00 1.00 H new ATOM 0 HA3 GLY A 90 -3.082 11.206 -8.124 1.00 1.00 H new ATOM 308 N ARG A 91 -3.194 11.261 -10.769 1.00 1.00 N ATOM 309 CA ARG A 91 -3.522 10.874 -12.156 1.00 1.00 C ATOM 310 C ARG A 91 -4.718 9.910 -12.205 1.00 1.00 C ATOM 311 O ARG A 91 -4.728 8.873 -11.541 1.00 1.00 O ATOM 312 CB ARG A 91 -2.277 10.294 -12.833 1.00 1.00 C ATOM 313 CG ARG A 91 -2.454 9.943 -14.321 1.00 1.00 C ATOM 314 CD ARG A 91 -2.589 11.175 -15.228 1.00 1.00 C ATOM 315 NE ARG A 91 -2.737 10.781 -16.644 1.00 1.00 N ATOM 316 CZ ARG A 91 -2.792 11.589 -17.690 1.00 1.00 C ATOM 317 NH1 ARG A 91 -2.713 12.885 -17.570 1.00 1.00 N ATOM 318 NH2 ARG A 91 -2.934 11.103 -18.890 1.00 1.00 N ATOM 0 H ARG A 91 -2.240 11.023 -10.500 1.00 1.00 H new ATOM 0 HA ARG A 91 -3.828 11.761 -12.711 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -1.462 11.011 -12.738 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -1.974 9.395 -12.296 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -1.601 9.351 -14.651 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -3.339 9.318 -14.436 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -3.452 11.764 -14.919 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -1.712 11.812 -15.115 1.00 1.00 H new ATOM 0 HE ARG A 91 -2.804 9.781 -16.835 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -2.605 13.306 -16.647 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -2.759 13.478 -18.399 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -3.003 10.095 -19.027 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -2.976 11.731 -19.693 1.00 1.00 H new ATOM 332 N GLN A 92 -5.716 10.258 -13.017 1.00 1.00 N ATOM 333 CA GLN A 92 -6.945 9.479 -13.206 1.00 1.00 C ATOM 334 C GLN A 92 -6.666 8.144 -13.953 1.00 1.00 C ATOM 335 O GLN A 92 -5.939 8.162 -14.953 1.00 1.00 O ATOM 336 CB GLN A 92 -7.932 10.364 -13.986 1.00 1.00 C ATOM 337 CG GLN A 92 -9.328 9.745 -14.051 1.00 1.00 C ATOM 338 CD GLN A 92 -10.298 10.605 -14.859 1.00 1.00 C ATOM 339 OE1 GLN A 92 -11.023 11.439 -14.333 1.00 1.00 O ATOM 340 NE2 GLN A 92 -10.352 10.440 -16.165 1.00 1.00 N ATOM 0 H GLN A 92 -5.694 11.110 -13.577 1.00 1.00 H new ATOM 0 HA GLN A 92 -7.367 9.200 -12.240 1.00 1.00 H new ATOM 0 HB2 GLN A 92 -7.992 11.344 -13.513 1.00 1.00 H new ATOM 0 HB3 GLN A 92 -7.557 10.520 -14.998 1.00 1.00 H new ATOM 0 HG2 GLN A 92 -9.264 8.753 -14.498 1.00 1.00 H new ATOM 0 HG3 GLN A 92 -9.714 9.615 -13.040 1.00 1.00 H new ATOM 0 HE21 GLN A 92 -9.754 9.749 -16.617 1.00 1.00 H new ATOM 0 HE22 GLN A 92 -10.992 11.004 -16.724 1.00 1.00 H new ATOM 349 N PRO A 93 -7.240 6.997 -13.527 1.00 1.00 N ATOM 350 CA PRO A 93 -7.140 5.719 -14.247 1.00 1.00 C ATOM 351 C PRO A 93 -7.721 5.745 -15.672 1.00 1.00 C ATOM 352 O PRO A 93 -8.630 6.520 -15.974 1.00 1.00 O ATOM 353 CB PRO A 93 -7.901 4.694 -13.399 1.00 1.00 C ATOM 354 CG PRO A 93 -7.993 5.317 -12.011 1.00 1.00 C ATOM 355 CD PRO A 93 -7.968 6.818 -12.278 1.00 1.00 C ATOM 0 HA PRO A 93 -6.086 5.476 -14.378 1.00 1.00 H new ATOM 0 HB2 PRO A 93 -8.892 4.500 -13.810 1.00 1.00 H new ATOM 0 HB3 PRO A 93 -7.376 3.739 -13.369 1.00 1.00 H new ATOM 0 HG2 PRO A 93 -8.908 5.018 -11.499 1.00 1.00 H new ATOM 0 HG3 PRO A 93 -7.159 5.010 -11.380 1.00 1.00 H new ATOM 0 HD2 PRO A 93 -8.980 7.216 -12.357 1.00 1.00 H new ATOM 0 HD3 PRO A 93 -7.478 7.350 -11.462 1.00 1.00 H new ATOM 363 N ALA A 94 -7.273 4.817 -16.525 1.00 1.00 N ATOM 364 CA ALA A 94 -7.799 4.646 -17.887 1.00 1.00 C ATOM 365 C ALA A 94 -9.274 4.180 -17.917 1.00 1.00 C ATOM 366 O ALA A 94 -10.079 4.713 -18.682 1.00 1.00 O ATOM 367 CB ALA A 94 -6.887 3.668 -18.638 1.00 1.00 C ATOM 0 H ALA A 94 -6.530 4.158 -16.290 1.00 1.00 H new ATOM 0 HA ALA A 94 -7.798 5.618 -18.380 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.261 3.528 -19.652 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -5.875 4.071 -18.677 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.876 2.709 -18.119 1.00 1.00 H new ATOM 373 N TRP A 95 -9.652 3.230 -17.045 1.00 1.00 N ATOM 374 CA TRP A 95 -11.034 2.723 -16.922 1.00 1.00 C ATOM 375 C TRP A 95 -12.048 3.791 -16.475 1.00 1.00 C ATOM 376 O TRP A 95 -13.230 3.696 -16.804 1.00 1.00 O ATOM 377 CB TRP A 95 -11.074 1.503 -15.986 1.00 1.00 C ATOM 378 CG TRP A 95 -10.458 1.657 -14.628 1.00 1.00 C ATOM 379 CD1 TRP A 95 -9.173 1.364 -14.317 1.00 1.00 C ATOM 380 CD2 TRP A 95 -11.096 2.047 -13.371 1.00 1.00 C ATOM 381 NE1 TRP A 95 -8.964 1.570 -12.970 1.00 1.00 N ATOM 382 CE2 TRP A 95 -10.115 1.980 -12.334 1.00 1.00 C ATOM 383 CE3 TRP A 95 -12.413 2.392 -12.984 1.00 1.00 C ATOM 384 CZ2 TRP A 95 -10.405 2.270 -10.995 1.00 1.00 C ATOM 385 CZ3 TRP A 95 -12.718 2.671 -11.638 1.00 1.00 C ATOM 386 CH2 TRP A 95 -11.719 2.618 -10.652 1.00 1.00 C ATOM 0 H TRP A 95 -9.001 2.786 -16.397 1.00 1.00 H new ATOM 0 HA TRP A 95 -11.342 2.423 -17.924 1.00 1.00 H new ATOM 0 HB2 TRP A 95 -12.117 1.214 -15.853 1.00 1.00 H new ATOM 0 HB3 TRP A 95 -10.576 0.675 -16.490 1.00 1.00 H new ATOM 0 HD1 TRP A 95 -8.426 1.021 -15.017 1.00 1.00 H new ATOM 0 HE1 TRP A 95 -8.068 1.435 -12.502 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -13.193 2.442 -13.730 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -9.632 2.226 -10.242 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -13.730 2.928 -11.361 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -11.964 2.846 -9.625 1.00 1.00 H new ATOM 397 N LEU A 96 -11.581 4.838 -15.785 1.00 1.00 N ATOM 398 CA LEU A 96 -12.390 5.991 -15.378 1.00 1.00 C ATOM 399 C LEU A 96 -12.925 6.805 -16.580 1.00 1.00 C ATOM 400 O LEU A 96 -13.989 7.420 -16.499 1.00 1.00 O ATOM 401 CB LEU A 96 -11.534 6.884 -14.448 1.00 1.00 C ATOM 402 CG LEU A 96 -12.196 7.369 -13.147 1.00 1.00 C ATOM 403 CD1 LEU A 96 -13.471 8.177 -13.382 1.00 1.00 C ATOM 404 CD2 LEU A 96 -12.465 6.202 -12.197 1.00 1.00 C ATOM 0 H LEU A 96 -10.608 4.908 -15.488 1.00 1.00 H new ATOM 0 HA LEU A 96 -13.271 5.623 -14.852 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -10.632 6.332 -14.184 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.218 7.760 -15.015 1.00 1.00 H new ATOM 0 HG LEU A 96 -11.481 8.047 -12.681 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -13.887 8.488 -12.423 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -13.238 9.058 -13.980 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -14.199 7.562 -13.911 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -12.933 6.575 -11.286 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -13.130 5.486 -12.680 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -11.524 5.712 -11.947 1.00 1.00 H new ATOM 416 N GLY A 97 -12.204 6.797 -17.706 1.00 1.00 N ATOM 417 CA GLY A 97 -12.424 7.658 -18.875 1.00 1.00 C ATOM 418 C GLY A 97 -13.532 7.196 -19.835 1.00 1.00 C ATOM 419 O GLY A 97 -13.313 7.184 -21.049 1.00 1.00 O ATOM 0 H GLY A 97 -11.416 6.162 -17.834 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -12.665 8.662 -18.525 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -11.490 7.730 -19.433 1.00 1.00 H new ATOM 423 N ASN A 98 -14.698 6.797 -19.312 1.00 1.00 N ATOM 424 CA ASN A 98 -15.848 6.364 -20.119 1.00 1.00 C ATOM 425 C ASN A 98 -17.201 6.816 -19.530 1.00 1.00 C ATOM 426 O ASN A 98 -17.937 7.556 -20.187 1.00 1.00 O ATOM 427 CB ASN A 98 -15.776 4.833 -20.286 1.00 1.00 C ATOM 428 CG ASN A 98 -16.922 4.288 -21.131 1.00 1.00 C ATOM 429 OD1 ASN A 98 -17.260 4.813 -22.183 1.00 1.00 O ATOM 430 ND2 ASN A 98 -17.557 3.220 -20.701 1.00 1.00 N ATOM 0 H ASN A 98 -14.872 6.765 -18.308 1.00 1.00 H new ATOM 0 HA ASN A 98 -15.791 6.846 -21.095 1.00 1.00 H new ATOM 0 HB2 ASN A 98 -14.827 4.565 -20.749 1.00 1.00 H new ATOM 0 HB3 ASN A 98 -15.796 4.361 -19.304 1.00 1.00 H new ATOM 0 HD21 ASN A 98 -18.328 2.832 -21.244 1.00 1.00 H new ATOM 0 HD22 ASN A 98 -17.278 2.779 -19.824 1.00 1.00 H new ATOM 437 N ASP A 99 -17.523 6.406 -18.299 1.00 1.00 N ATOM 438 CA ASP A 99 -18.785 6.747 -17.620 1.00 1.00 C ATOM 439 C ASP A 99 -18.636 6.667 -16.084 1.00 1.00 C ATOM 440 O ASP A 99 -18.966 5.633 -15.496 1.00 1.00 O ATOM 441 CB ASP A 99 -19.919 5.833 -18.129 1.00 1.00 C ATOM 442 CG ASP A 99 -21.285 6.169 -17.499 1.00 1.00 C ATOM 443 OD1 ASP A 99 -21.487 7.313 -17.021 1.00 1.00 O ATOM 444 OD2 ASP A 99 -22.188 5.298 -17.525 1.00 1.00 O ATOM 0 H ASP A 99 -16.908 5.819 -17.735 1.00 1.00 H new ATOM 0 HA ASP A 99 -19.042 7.779 -17.859 1.00 1.00 H new ATOM 0 HB2 ASP A 99 -19.992 5.922 -19.213 1.00 1.00 H new ATOM 0 HB3 ASP A 99 -19.669 4.795 -17.910 1.00 1.00 H new ATOM 449 N PRO A 100 -18.095 7.713 -15.423 1.00 1.00 N ATOM 450 CA PRO A 100 -17.781 7.720 -13.989 1.00 1.00 C ATOM 451 C PRO A 100 -18.864 7.177 -13.042 1.00 1.00 C ATOM 452 O PRO A 100 -18.545 6.560 -12.025 1.00 1.00 O ATOM 453 CB PRO A 100 -17.413 9.165 -13.659 1.00 1.00 C ATOM 454 CG PRO A 100 -16.826 9.684 -14.969 1.00 1.00 C ATOM 455 CD PRO A 100 -17.651 8.961 -16.032 1.00 1.00 C ATOM 0 HA PRO A 100 -16.969 7.014 -13.815 1.00 1.00 H new ATOM 0 HB2 PRO A 100 -18.285 9.742 -13.352 1.00 1.00 H new ATOM 0 HB3 PRO A 100 -16.691 9.221 -12.844 1.00 1.00 H new ATOM 0 HG2 PRO A 100 -16.922 10.767 -15.052 1.00 1.00 H new ATOM 0 HG3 PRO A 100 -15.765 9.450 -15.055 1.00 1.00 H new ATOM 0 HD2 PRO A 100 -18.502 9.567 -16.343 1.00 1.00 H new ATOM 0 HD3 PRO A 100 -17.054 8.768 -16.924 1.00 1.00 H new ATOM 463 N ALA A 101 -20.147 7.377 -13.367 1.00 1.00 N ATOM 464 CA ALA A 101 -21.276 6.894 -12.574 1.00 1.00 C ATOM 465 C ALA A 101 -21.391 5.355 -12.491 1.00 1.00 C ATOM 466 O ALA A 101 -21.975 4.839 -11.536 1.00 1.00 O ATOM 467 CB ALA A 101 -22.561 7.509 -13.144 1.00 1.00 C ATOM 0 H ALA A 101 -20.431 7.888 -14.203 1.00 1.00 H new ATOM 0 HA ALA A 101 -21.109 7.211 -11.544 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -23.418 7.162 -12.567 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -22.501 8.596 -13.086 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -22.678 7.207 -14.185 1.00 1.00 H new ATOM 473 N ALA A 102 -20.843 4.609 -13.460 1.00 1.00 N ATOM 474 CA ALA A 102 -20.989 3.153 -13.555 1.00 1.00 C ATOM 475 C ALA A 102 -20.273 2.362 -12.438 1.00 1.00 C ATOM 476 O ALA A 102 -20.683 1.243 -12.118 1.00 1.00 O ATOM 477 CB ALA A 102 -20.483 2.710 -14.933 1.00 1.00 C ATOM 0 H ALA A 102 -20.278 5.007 -14.210 1.00 1.00 H new ATOM 0 HA ALA A 102 -22.047 2.926 -13.424 1.00 1.00 H new ATOM 0 HB1 ALA A 102 -20.582 1.629 -15.027 1.00 1.00 H new ATOM 0 HB2 ALA A 102 -21.072 3.197 -15.711 1.00 1.00 H new ATOM 0 HB3 ALA A 102 -19.435 2.989 -15.043 1.00 1.00 H new ATOM 483 N PHE A 103 -19.212 2.930 -11.853 1.00 1.00 N ATOM 484 CA PHE A 103 -18.294 2.247 -10.924 1.00 1.00 C ATOM 485 C PHE A 103 -17.941 3.083 -9.667 1.00 1.00 C ATOM 486 O PHE A 103 -16.950 2.806 -8.987 1.00 1.00 O ATOM 487 CB PHE A 103 -17.076 1.759 -11.737 1.00 1.00 C ATOM 488 CG PHE A 103 -16.542 2.761 -12.737 1.00 1.00 C ATOM 489 CD1 PHE A 103 -16.056 3.994 -12.279 1.00 1.00 C ATOM 490 CD2 PHE A 103 -16.613 2.502 -14.120 1.00 1.00 C ATOM 491 CE1 PHE A 103 -15.673 4.981 -13.194 1.00 1.00 C ATOM 492 CE2 PHE A 103 -16.216 3.489 -15.040 1.00 1.00 C ATOM 493 CZ PHE A 103 -15.759 4.735 -14.576 1.00 1.00 C ATOM 0 H PHE A 103 -18.958 3.905 -12.015 1.00 1.00 H new ATOM 0 HA PHE A 103 -18.791 1.381 -10.487 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -16.276 1.495 -11.045 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -17.352 0.848 -12.268 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -15.977 4.182 -11.218 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -16.972 1.547 -14.473 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -15.310 5.934 -12.838 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -16.262 3.290 -16.101 1.00 1.00 H new ATOM 0 HZ PHE A 103 -15.474 5.503 -15.280 1.00 1.00 H new ATOM 503 N LEU A 104 -18.723 4.124 -9.349 1.00 1.00 N ATOM 504 CA LEU A 104 -18.628 4.853 -8.073 1.00 1.00 C ATOM 505 C LEU A 104 -18.921 3.929 -6.879 1.00 1.00 C ATOM 506 O LEU A 104 -19.832 3.100 -6.924 1.00 1.00 O ATOM 507 CB LEU A 104 -19.600 6.052 -8.058 1.00 1.00 C ATOM 508 CG LEU A 104 -18.983 7.379 -8.530 1.00 1.00 C ATOM 509 CD1 LEU A 104 -20.080 8.426 -8.725 1.00 1.00 C ATOM 510 CD2 LEU A 104 -17.981 7.955 -7.522 1.00 1.00 C ATOM 0 H LEU A 104 -19.444 4.487 -9.972 1.00 1.00 H new ATOM 0 HA LEU A 104 -17.606 5.221 -7.980 1.00 1.00 H new ATOM 0 HB2 LEU A 104 -20.455 5.818 -8.692 1.00 1.00 H new ATOM 0 HB3 LEU A 104 -19.980 6.183 -7.045 1.00 1.00 H new ATOM 0 HG LEU A 104 -18.464 7.159 -9.463 1.00 1.00 H new ATOM 0 HD11 LEU A 104 -19.634 9.363 -9.059 1.00 1.00 H new ATOM 0 HD12 LEU A 104 -20.790 8.074 -9.474 1.00 1.00 H new ATOM 0 HD13 LEU A 104 -20.600 8.588 -7.781 1.00 1.00 H new ATOM 0 HD21 LEU A 104 -17.576 8.891 -7.906 1.00 1.00 H new ATOM 0 HD22 LEU A 104 -18.485 8.139 -6.573 1.00 1.00 H new ATOM 0 HD23 LEU A 104 -17.169 7.244 -7.370 1.00 1.00 H new ATOM 522 N ILE A 105 -18.166 4.109 -5.793 1.00 1.00 N ATOM 523 CA ILE A 105 -18.431 3.482 -4.491 1.00 1.00 C ATOM 524 C ILE A 105 -19.542 4.285 -3.788 1.00 1.00 C ATOM 525 O ILE A 105 -19.521 5.518 -3.775 1.00 1.00 O ATOM 526 CB ILE A 105 -17.132 3.398 -3.648 1.00 1.00 C ATOM 527 CG1 ILE A 105 -16.098 2.484 -4.346 1.00 1.00 C ATOM 528 CG2 ILE A 105 -17.421 2.873 -2.227 1.00 1.00 C ATOM 529 CD1 ILE A 105 -14.708 2.586 -3.714 1.00 1.00 C ATOM 0 H ILE A 105 -17.338 4.705 -5.791 1.00 1.00 H new ATOM 0 HA ILE A 105 -18.772 2.455 -4.622 1.00 1.00 H new ATOM 0 HB ILE A 105 -16.723 4.405 -3.564 1.00 1.00 H new ATOM 0 HG12 ILE A 105 -16.441 1.450 -4.299 1.00 1.00 H new ATOM 0 HG13 ILE A 105 -16.035 2.751 -5.401 1.00 1.00 H new ATOM 0 HG21 ILE A 105 -16.491 2.825 -1.661 1.00 1.00 H new ATOM 0 HG22 ILE A 105 -18.117 3.545 -1.725 1.00 1.00 H new ATOM 0 HG23 ILE A 105 -17.859 1.877 -2.289 1.00 1.00 H new ATOM 0 HD11 ILE A 105 -14.020 1.925 -4.241 1.00 1.00 H new ATOM 0 HD12 ILE A 105 -14.351 3.613 -3.785 1.00 1.00 H new ATOM 0 HD13 ILE A 105 -14.763 2.292 -2.666 1.00 1.00 H new ATOM 541 N GLN A 106 -20.510 3.577 -3.200 1.00 1.00 N ATOM 542 CA GLN A 106 -21.705 4.145 -2.548 1.00 1.00 C ATOM 543 C GLN A 106 -21.975 3.504 -1.166 1.00 1.00 C ATOM 544 O GLN A 106 -21.583 2.353 -0.947 1.00 1.00 O ATOM 545 CB GLN A 106 -22.923 3.933 -3.471 1.00 1.00 C ATOM 546 CG GLN A 106 -22.838 4.746 -4.777 1.00 1.00 C ATOM 547 CD GLN A 106 -24.099 4.601 -5.635 1.00 1.00 C ATOM 548 OE1 GLN A 106 -24.583 3.510 -5.911 1.00 1.00 O ATOM 549 NE2 GLN A 106 -24.685 5.689 -6.095 1.00 1.00 N ATOM 0 H GLN A 106 -20.488 2.558 -3.161 1.00 1.00 H new ATOM 0 HA GLN A 106 -21.530 5.208 -2.381 1.00 1.00 H new ATOM 0 HB2 GLN A 106 -23.008 2.874 -3.714 1.00 1.00 H new ATOM 0 HB3 GLN A 106 -23.831 4.211 -2.935 1.00 1.00 H new ATOM 0 HG2 GLN A 106 -22.683 5.798 -4.538 1.00 1.00 H new ATOM 0 HG3 GLN A 106 -21.971 4.418 -5.351 1.00 1.00 H new ATOM 0 HE21 GLN A 106 -24.298 6.607 -5.877 1.00 1.00 H new ATOM 0 HE22 GLN A 106 -25.525 5.612 -6.669 1.00 1.00 H new ATOM 558 N PRO A 107 -22.665 4.210 -0.241 1.00 1.00 N ATOM 559 CA PRO A 107 -23.011 3.717 1.099 1.00 1.00 C ATOM 560 C PRO A 107 -24.180 2.705 1.073 1.00 1.00 C ATOM 561 O PRO A 107 -25.270 2.956 1.592 1.00 1.00 O ATOM 562 CB PRO A 107 -23.294 4.980 1.922 1.00 1.00 C ATOM 563 CG PRO A 107 -23.896 5.929 0.889 1.00 1.00 C ATOM 564 CD PRO A 107 -23.100 5.602 -0.374 1.00 1.00 C ATOM 0 HA PRO A 107 -22.204 3.139 1.548 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -23.985 4.782 2.741 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -22.384 5.387 2.364 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -24.963 5.754 0.752 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -23.780 6.972 1.182 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -23.714 5.733 -1.265 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -22.243 6.268 -0.476 1.00 1.00 H new ATOM 572 N ASP A 108 -23.961 1.545 0.444 1.00 1.00 N ATOM 573 CA ASP A 108 -24.904 0.421 0.362 1.00 1.00 C ATOM 574 C ASP A 108 -25.396 -0.102 1.732 1.00 1.00 C ATOM 575 O ASP A 108 -26.500 -0.644 1.840 1.00 1.00 O ATOM 576 CB ASP A 108 -24.256 -0.704 -0.454 1.00 1.00 C ATOM 577 CG ASP A 108 -25.243 -1.846 -0.753 1.00 1.00 C ATOM 578 OD1 ASP A 108 -26.210 -1.629 -1.524 1.00 1.00 O ATOM 579 OD2 ASP A 108 -25.033 -2.976 -0.249 1.00 1.00 O ATOM 0 H ASP A 108 -23.085 1.354 -0.043 1.00 1.00 H new ATOM 0 HA ASP A 108 -25.803 0.791 -0.131 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -23.877 -0.298 -1.392 1.00 1.00 H new ATOM 0 HB3 ASP A 108 -23.399 -1.100 0.092 1.00 1.00 H new ATOM 584 N LEU A 109 -24.592 0.124 2.780 1.00 1.00 N ATOM 585 CA LEU A 109 -24.895 -0.082 4.194 1.00 1.00 C ATOM 586 C LEU A 109 -24.448 1.148 5.023 1.00 1.00 C ATOM 587 O LEU A 109 -23.554 1.879 4.583 1.00 1.00 O ATOM 588 CB LEU A 109 -24.189 -1.361 4.684 1.00 1.00 C ATOM 589 CG LEU A 109 -24.755 -2.681 4.123 1.00 1.00 C ATOM 590 CD1 LEU A 109 -23.874 -3.851 4.565 1.00 1.00 C ATOM 591 CD2 LEU A 109 -26.176 -2.955 4.617 1.00 1.00 C ATOM 0 H LEU A 109 -23.646 0.481 2.647 1.00 1.00 H new ATOM 0 HA LEU A 109 -25.971 -0.200 4.324 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -23.133 -1.297 4.422 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -24.246 -1.394 5.772 1.00 1.00 H new ATOM 0 HG LEU A 109 -24.770 -2.583 3.037 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -24.278 -4.782 4.166 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -22.861 -3.705 4.191 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -23.855 -3.901 5.654 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -26.533 -3.895 4.196 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -26.176 -3.022 5.705 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -26.833 -2.144 4.303 1.00 1.00 H new ATOM 603 N PRO A 110 -25.047 1.399 6.210 1.00 1.00 N ATOM 604 CA PRO A 110 -24.694 2.527 7.080 1.00 1.00 C ATOM 605 C PRO A 110 -23.199 2.623 7.424 1.00 1.00 C ATOM 606 O PRO A 110 -22.537 1.614 7.678 1.00 1.00 O ATOM 607 CB PRO A 110 -25.522 2.348 8.353 1.00 1.00 C ATOM 608 CG PRO A 110 -26.726 1.528 7.898 1.00 1.00 C ATOM 609 CD PRO A 110 -26.143 0.638 6.801 1.00 1.00 C ATOM 0 HA PRO A 110 -24.910 3.458 6.556 1.00 1.00 H new ATOM 0 HB2 PRO A 110 -24.956 1.830 9.128 1.00 1.00 H new ATOM 0 HB3 PRO A 110 -25.827 3.308 8.769 1.00 1.00 H new ATOM 0 HG2 PRO A 110 -27.145 0.940 8.714 1.00 1.00 H new ATOM 0 HG3 PRO A 110 -27.527 2.163 7.519 1.00 1.00 H new ATOM 0 HD2 PRO A 110 -25.786 -0.306 7.212 1.00 1.00 H new ATOM 0 HD3 PRO A 110 -26.898 0.395 6.053 1.00 1.00 H new ATOM 617 N ALA A 111 -22.689 3.854 7.551 1.00 1.00 N ATOM 618 CA ALA A 111 -21.305 4.150 7.960 1.00 1.00 C ATOM 619 C ALA A 111 -21.054 4.033 9.485 1.00 1.00 C ATOM 620 O ALA A 111 -20.227 4.742 10.066 1.00 1.00 O ATOM 621 CB ALA A 111 -20.926 5.521 7.381 1.00 1.00 C ATOM 0 H ALA A 111 -23.238 4.694 7.369 1.00 1.00 H new ATOM 0 HA ALA A 111 -20.646 3.384 7.551 1.00 1.00 H new ATOM 0 HB1 ALA A 111 -19.904 5.767 7.668 1.00 1.00 H new ATOM 0 HB2 ALA A 111 -21.000 5.490 6.294 1.00 1.00 H new ATOM 0 HB3 ALA A 111 -21.605 6.280 7.769 1.00 1.00 H new ATOM 627 N ILE A 112 -21.792 3.123 10.124 1.00 1.00 N ATOM 628 CA ILE A 112 -21.821 2.841 11.574 1.00 1.00 C ATOM 629 C ILE A 112 -21.953 1.329 11.822 1.00 1.00 C ATOM 630 O ILE A 112 -22.866 0.832 12.485 1.00 1.00 O ATOM 631 CB ILE A 112 -22.899 3.683 12.310 1.00 1.00 C ATOM 632 CG1 ILE A 112 -24.286 3.614 11.625 1.00 1.00 C ATOM 633 CG2 ILE A 112 -22.450 5.148 12.424 1.00 1.00 C ATOM 634 CD1 ILE A 112 -25.427 4.165 12.488 1.00 1.00 C ATOM 0 H ILE A 112 -22.433 2.517 9.612 1.00 1.00 H new ATOM 0 HA ILE A 112 -20.871 3.154 12.007 1.00 1.00 H new ATOM 0 HB ILE A 112 -23.006 3.250 13.304 1.00 1.00 H new ATOM 0 HG12 ILE A 112 -24.248 4.172 10.689 1.00 1.00 H new ATOM 0 HG13 ILE A 112 -24.504 2.577 11.369 1.00 1.00 H new ATOM 0 HG21 ILE A 112 -23.217 5.724 12.942 1.00 1.00 H new ATOM 0 HG22 ILE A 112 -21.516 5.200 12.984 1.00 1.00 H new ATOM 0 HG23 ILE A 112 -22.298 5.561 11.427 1.00 1.00 H new ATOM 0 HD11 ILE A 112 -26.367 4.084 11.943 1.00 1.00 H new ATOM 0 HD12 ILE A 112 -25.493 3.592 13.413 1.00 1.00 H new ATOM 0 HD13 ILE A 112 -25.233 5.212 12.723 1.00 1.00 H new ATOM 646 N LEU A 113 -21.020 0.605 11.206 1.00 1.00 N ATOM 647 CA LEU A 113 -20.992 -0.856 11.081 1.00 1.00 C ATOM 648 C LEU A 113 -19.540 -1.381 11.051 1.00 1.00 C ATOM 649 O LEU A 113 -18.653 -0.742 10.476 1.00 1.00 O ATOM 650 CB LEU A 113 -21.752 -1.214 9.788 1.00 1.00 C ATOM 651 CG LEU A 113 -21.902 -2.718 9.485 1.00 1.00 C ATOM 652 CD1 LEU A 113 -22.724 -3.447 10.550 1.00 1.00 C ATOM 653 CD2 LEU A 113 -22.614 -2.897 8.144 1.00 1.00 C ATOM 0 H LEU A 113 -20.218 1.044 10.755 1.00 1.00 H new ATOM 0 HA LEU A 113 -21.468 -1.328 11.941 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -22.748 -0.774 9.842 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -21.241 -0.744 8.948 1.00 1.00 H new ATOM 0 HG LEU A 113 -20.898 -3.142 9.468 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -22.801 -4.503 10.291 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -22.235 -3.346 11.519 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -23.722 -3.012 10.600 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -22.721 -3.960 7.928 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -23.600 -2.435 8.191 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -22.029 -2.424 7.355 1.00 1.00 H new ATOM 665 N GLU A 114 -19.310 -2.554 11.654 1.00 1.00 N ATOM 666 CA GLU A 114 -18.008 -3.247 11.740 1.00 1.00 C ATOM 667 C GLU A 114 -18.161 -4.780 11.731 1.00 1.00 C ATOM 668 O GLU A 114 -17.547 -5.438 10.858 1.00 1.00 O ATOM 669 CB GLU A 114 -17.246 -2.752 12.979 1.00 1.00 C ATOM 670 CG GLU A 114 -15.850 -3.376 13.125 1.00 1.00 C ATOM 671 CD GLU A 114 -15.085 -2.762 14.321 1.00 1.00 C ATOM 672 OE1 GLU A 114 -15.213 -3.268 15.464 1.00 1.00 O ATOM 673 OE2 GLU A 114 -14.329 -1.774 14.131 1.00 1.00 O ATOM 0 H GLU A 114 -20.056 -3.073 12.117 1.00 1.00 H new ATOM 0 HA GLU A 114 -17.427 -3.003 10.850 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -17.148 -1.668 12.927 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -17.832 -2.977 13.871 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -15.943 -4.453 13.264 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -15.282 -3.221 12.208 1.00 1.00 H new TER 680 GLU A 114