USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 595 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 8 LYS NZ :NH3+ 155:sc= -0.189 (180deg=-1.14!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.6! C(o=-3.6!,f=-7.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= 0.105 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 130:sc= -0.631 USER MOD Single : A 40 SER OG : rot 41:sc= 0.0492 USER MOD Single : A 42 THR OG1 : rot -160:sc= 0.063 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -7.16! C(o=-7.2!,f=-9.4!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 168:sc= -10.1! (180deg=-10.7!) USER MOD Single : A 55 THR OG1 : rot -26:sc= -2.13! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.31) USER MOD Single : A 67 THR OG1 : rot 81:sc= 0.419 USER MOD Single : A 73 ASN : amide:sc= -5.28! C(o=-5.3!,f=-8.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.402 -10.410 -0.118 1.00 16.66 N ATOM 86 CA ASP A 7 -2.058 -11.735 -0.301 1.00 16.66 C ATOM 87 C ASP A 7 -3.033 -11.979 0.850 1.00 16.66 C ATOM 88 O ASP A 7 -4.150 -12.415 0.651 1.00 16.66 O ATOM 89 CB ASP A 7 -0.996 -12.837 -0.312 1.00 16.66 C ATOM 90 CG ASP A 7 -0.209 -12.774 -1.623 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.572 -11.975 -2.470 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.741 -13.526 -1.758 1.00 50.00 O ATOM 0 HA ASP A 7 -2.598 -11.746 -1.248 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.322 -12.715 0.536 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.469 -13.813 -0.206 1.00 16.66 H new ATOM 97 N LYS A 8 -2.621 -11.695 2.054 1.00 16.66 N ATOM 98 CA LYS A 8 -3.520 -11.903 3.222 1.00 16.66 C ATOM 99 C LYS A 8 -4.864 -11.229 2.955 1.00 16.66 C ATOM 100 O LYS A 8 -5.906 -11.724 3.336 1.00 16.66 O ATOM 101 CB LYS A 8 -2.882 -11.291 4.469 1.00 16.66 C ATOM 102 CG LYS A 8 -1.972 -12.327 5.128 1.00 16.66 C ATOM 103 CD LYS A 8 -1.814 -11.999 6.614 1.00 16.66 C ATOM 104 CE LYS A 8 -0.648 -12.805 7.192 1.00 50.00 C ATOM 105 NZ LYS A 8 0.614 -12.422 6.496 1.00 50.00 N ATOM 0 H LYS A 8 -1.697 -11.327 2.280 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.674 -12.971 3.378 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.308 -10.404 4.200 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.655 -10.971 5.168 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.394 -13.325 5.008 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.997 -12.332 4.641 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.633 -10.932 6.745 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.734 -12.234 7.149 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.557 -12.617 8.262 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.834 -13.872 7.070 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.425 -12.613 7.118 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.710 -12.977 5.621 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.588 -11.409 6.262 1.00 50.00 H new ATOM 119 N ALA A 9 -4.847 -10.105 2.297 1.00 16.66 N ATOM 120 CA ALA A 9 -6.125 -9.402 2.000 1.00 16.66 C ATOM 121 C ALA A 9 -7.028 -10.344 1.213 1.00 16.66 C ATOM 122 O ALA A 9 -8.200 -10.485 1.498 1.00 16.66 O ATOM 123 CB ALA A 9 -5.841 -8.149 1.170 1.00 16.66 C ATOM 0 H ALA A 9 -4.005 -9.643 1.952 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.613 -9.109 2.929 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.778 -7.636 0.954 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.183 -7.483 1.729 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.359 -8.434 0.235 1.00 16.66 H new ATOM 129 N GLU A 10 -6.483 -10.999 0.230 1.00 16.66 N ATOM 130 CA GLU A 10 -7.301 -11.945 -0.578 1.00 16.66 C ATOM 131 C GLU A 10 -7.720 -13.119 0.306 1.00 16.66 C ATOM 132 O GLU A 10 -8.854 -13.555 0.288 1.00 16.66 O ATOM 133 CB GLU A 10 -6.472 -12.461 -1.755 1.00 16.66 C ATOM 134 CG GLU A 10 -5.936 -11.275 -2.558 1.00 16.66 C ATOM 135 CD GLU A 10 -5.437 -11.764 -3.920 1.00 16.66 C ATOM 136 OE1 GLU A 10 -5.236 -12.960 -4.060 1.00 16.66 O ATOM 137 OE2 GLU A 10 -5.266 -10.936 -4.798 1.00 16.66 O ATOM 0 H GLU A 10 -5.505 -10.921 -0.050 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.186 -11.436 -0.959 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.645 -13.072 -1.392 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.084 -13.099 -2.393 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.720 -10.529 -2.692 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.125 -10.791 -2.014 1.00 16.66 H new ATOM 144 N ARG A 11 -6.809 -13.628 1.084 1.00 16.66 N ATOM 145 CA ARG A 11 -7.138 -14.770 1.981 1.00 16.66 C ATOM 146 C ARG A 11 -8.169 -14.324 3.015 1.00 16.66 C ATOM 147 O ARG A 11 -9.086 -15.049 3.351 1.00 16.66 O ATOM 148 CB ARG A 11 -5.869 -15.224 2.698 1.00 16.66 C ATOM 149 CG ARG A 11 -4.936 -15.904 1.696 1.00 16.66 C ATOM 150 CD ARG A 11 -3.897 -16.734 2.448 1.00 50.00 C ATOM 151 NE ARG A 11 -2.616 -16.717 1.690 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.188 -17.802 1.106 1.00 50.00 C ATOM 153 NH1 ARG A 11 -2.401 -17.987 -0.168 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.550 -18.704 1.799 1.00 50.00 N ATOM 0 H ARG A 11 -5.844 -13.301 1.138 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.545 -15.593 1.393 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.370 -14.369 3.154 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -6.120 -15.914 3.504 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.510 -16.542 1.024 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.441 -15.155 1.078 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.747 -16.330 3.449 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.249 -17.759 2.567 1.00 50.00 H new ATOM 0 HE ARG A 11 -2.072 -15.856 1.627 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -2.903 -17.283 -0.709 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -2.066 -18.836 -0.623 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -1.387 -18.560 2.796 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -1.214 -19.553 1.344 1.00 50.00 H new ATOM 168 N GLU A 12 -8.026 -13.133 3.517 1.00 16.66 N ATOM 169 CA GLU A 12 -8.992 -12.623 4.526 1.00 16.66 C ATOM 170 C GLU A 12 -10.373 -12.497 3.884 1.00 16.66 C ATOM 171 O GLU A 12 -11.379 -12.835 4.474 1.00 16.66 O ATOM 172 CB GLU A 12 -8.528 -11.253 5.020 1.00 16.66 C ATOM 173 CG GLU A 12 -7.565 -11.431 6.196 1.00 16.66 C ATOM 174 CD GLU A 12 -7.389 -10.094 6.916 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.104 -9.164 6.580 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.542 -10.022 7.791 1.00 50.00 O ATOM 0 H GLU A 12 -7.277 -12.486 3.271 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.046 -13.313 5.368 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -8.036 -10.712 4.212 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.387 -10.656 5.327 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.952 -12.180 6.887 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.601 -11.794 5.839 1.00 16.66 H new ATOM 183 N ARG A 13 -10.427 -12.015 2.674 1.00 16.66 N ATOM 184 CA ARG A 13 -11.740 -11.871 1.988 1.00 16.66 C ATOM 185 C ARG A 13 -12.307 -13.257 1.695 1.00 16.66 C ATOM 186 O ARG A 13 -13.489 -13.499 1.836 1.00 16.66 O ATOM 187 CB ARG A 13 -11.551 -11.110 0.675 1.00 16.66 C ATOM 188 CG ARG A 13 -11.014 -9.709 0.974 1.00 16.66 C ATOM 189 CD ARG A 13 -10.569 -9.044 -0.331 1.00 16.66 C ATOM 190 NE ARG A 13 -11.741 -8.401 -0.988 1.00 50.00 N ATOM 191 CZ ARG A 13 -12.111 -7.201 -0.633 1.00 50.00 C ATOM 192 NH1 ARG A 13 -11.619 -6.658 0.448 1.00 50.00 N ATOM 193 NH2 ARG A 13 -12.971 -6.542 -1.359 1.00 50.00 N ATOM 0 H ARG A 13 -9.618 -11.714 2.130 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.429 -11.320 2.628 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.858 -11.647 0.027 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.499 -11.042 0.141 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.785 -9.108 1.457 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.176 -9.770 1.668 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.799 -8.299 -0.128 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.127 -9.785 -0.997 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.254 -8.899 -1.715 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -10.945 -7.172 1.015 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -11.909 -5.720 0.725 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -13.355 -6.965 -2.204 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -13.260 -5.604 -1.081 1.00 50.00 H new ATOM 207 N ILE A 14 -11.470 -14.172 1.299 1.00 16.66 N ATOM 208 CA ILE A 14 -11.954 -15.548 1.007 1.00 16.66 C ATOM 209 C ILE A 14 -12.339 -16.230 2.319 1.00 16.66 C ATOM 210 O ILE A 14 -13.371 -16.865 2.422 1.00 16.66 O ATOM 211 CB ILE A 14 -10.840 -16.341 0.323 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.360 -15.581 -0.915 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.373 -17.713 -0.094 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.915 -15.973 -1.226 1.00 50.00 C ATOM 0 H ILE A 14 -10.469 -14.026 1.165 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.822 -15.505 0.349 1.00 16.66 H new ATOM 0 HB ILE A 14 -10.008 -16.470 1.015 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -11.001 -15.810 -1.766 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.428 -14.507 -0.744 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.579 -18.279 -0.582 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.715 -18.254 0.788 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.205 -17.585 -0.786 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.573 -15.432 -2.108 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.279 -15.722 -0.377 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.861 -17.045 -1.415 1.00 50.00 H new ATOM 226 N PHE A 15 -11.521 -16.099 3.328 1.00 16.66 N ATOM 227 CA PHE A 15 -11.849 -16.736 4.629 1.00 16.66 C ATOM 228 C PHE A 15 -13.084 -16.059 5.221 1.00 16.66 C ATOM 229 O PHE A 15 -13.918 -16.693 5.837 1.00 16.66 O ATOM 230 CB PHE A 15 -10.673 -16.590 5.596 1.00 16.66 C ATOM 231 CG PHE A 15 -11.026 -17.269 6.898 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.745 -18.628 7.072 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.643 -16.545 7.925 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.081 -19.267 8.273 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.978 -17.183 9.128 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.698 -18.545 9.300 1.00 16.66 C ATOM 0 H PHE A 15 -10.643 -15.580 3.305 1.00 16.66 H new ATOM 0 HA PHE A 15 -12.048 -17.796 4.471 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.775 -17.037 5.169 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.454 -15.536 5.767 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.268 -19.186 6.280 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.861 -15.496 7.791 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.864 -20.317 8.406 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.452 -16.625 9.922 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.958 -19.037 10.225 1.00 16.66 H new ATOM 246 N LYS A 16 -13.211 -14.775 5.032 1.00 16.66 N ATOM 247 CA LYS A 16 -14.396 -14.059 5.576 1.00 16.66 C ATOM 248 C LYS A 16 -15.654 -14.564 4.868 1.00 16.66 C ATOM 249 O LYS A 16 -16.730 -14.588 5.432 1.00 16.66 O ATOM 250 CB LYS A 16 -14.242 -12.555 5.336 1.00 50.00 C ATOM 251 CG LYS A 16 -13.293 -11.966 6.382 1.00 50.00 C ATOM 252 CD LYS A 16 -13.116 -10.468 6.123 1.00 50.00 C ATOM 253 CE LYS A 16 -14.401 -9.730 6.502 1.00 50.00 C ATOM 254 NZ LYS A 16 -14.059 -8.446 7.177 1.00 50.00 N ATOM 0 H LYS A 16 -12.545 -14.192 4.525 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.477 -14.245 6.647 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.853 -12.374 4.334 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.214 -12.065 5.394 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.692 -12.128 7.383 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.328 -12.470 6.338 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.278 -10.084 6.705 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -12.881 -10.295 5.073 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -14.998 -9.536 5.611 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -15.007 -10.350 7.163 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -14.934 -7.945 7.434 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.507 -8.642 8.036 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.498 -7.854 6.532 1.00 50.00 H new ATOM 268 N ARG A 17 -15.525 -14.973 3.636 1.00 16.66 N ATOM 269 CA ARG A 17 -16.709 -15.485 2.893 1.00 16.66 C ATOM 270 C ARG A 17 -17.097 -16.853 3.454 1.00 16.66 C ATOM 271 O ARG A 17 -18.259 -17.200 3.529 1.00 16.66 O ATOM 272 CB ARG A 17 -16.366 -15.618 1.409 1.00 16.66 C ATOM 273 CG ARG A 17 -16.334 -14.229 0.774 1.00 16.66 C ATOM 274 CD ARG A 17 -16.425 -14.359 -0.746 1.00 50.00 C ATOM 275 NE ARG A 17 -15.833 -13.147 -1.378 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.920 -13.271 -2.302 1.00 50.00 C ATOM 277 NH1 ARG A 17 -14.053 -14.245 -2.237 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.871 -12.419 -3.290 1.00 50.00 N ATOM 0 H ARG A 17 -14.650 -14.974 3.112 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.542 -14.791 3.007 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.400 -16.108 1.289 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.105 -16.243 0.907 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.163 -13.628 1.148 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.415 -13.712 1.051 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.896 -15.252 -1.079 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.465 -14.472 -1.052 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.142 -12.219 -1.088 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -14.089 -14.909 -1.464 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -13.339 -14.342 -2.959 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.546 -11.656 -3.340 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -14.157 -12.516 -4.012 1.00 50.00 H new ATOM 292 N PHE A 18 -16.128 -17.630 3.851 1.00 16.66 N ATOM 293 CA PHE A 18 -16.436 -18.975 4.412 1.00 16.66 C ATOM 294 C PHE A 18 -17.113 -18.812 5.771 1.00 16.66 C ATOM 295 O PHE A 18 -18.140 -19.405 6.041 1.00 16.66 O ATOM 296 CB PHE A 18 -15.141 -19.772 4.579 1.00 16.66 C ATOM 297 CG PHE A 18 -14.759 -20.397 3.259 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.457 -21.515 2.788 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.707 -19.860 2.507 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.103 -22.097 1.565 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.352 -20.443 1.284 1.00 16.66 C ATOM 302 CZ PHE A 18 -14.051 -21.561 0.812 1.00 16.66 C ATOM 0 H PHE A 18 -15.137 -17.392 3.811 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.101 -19.508 3.733 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.342 -19.118 4.928 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.273 -20.546 5.335 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.269 -21.929 3.368 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.169 -18.996 2.870 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.642 -22.960 1.202 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.539 -20.030 0.705 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.779 -22.009 -0.132 1.00 16.66 H new ATOM 312 N ASP A 19 -16.553 -18.006 6.628 1.00 16.66 N ATOM 313 CA ASP A 19 -17.173 -17.799 7.966 1.00 16.66 C ATOM 314 C ASP A 19 -18.594 -17.264 7.770 1.00 16.66 C ATOM 315 O ASP A 19 -18.794 -16.110 7.448 1.00 16.66 O ATOM 316 CB ASP A 19 -16.339 -16.795 8.767 1.00 16.66 C ATOM 317 CG ASP A 19 -16.591 -17.010 10.255 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.350 -17.904 10.573 1.00 16.66 O ATOM 319 OD2 ASP A 19 -16.016 -16.284 11.049 1.00 16.66 O ATOM 0 H ASP A 19 -15.694 -17.482 6.461 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.209 -18.741 8.514 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.280 -16.923 8.543 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.604 -15.776 8.484 1.00 16.66 H new ATOM 324 N ALA A 20 -19.585 -18.102 7.933 1.00 16.66 N ATOM 325 CA ALA A 20 -20.994 -17.655 7.728 1.00 16.66 C ATOM 326 C ALA A 20 -21.411 -16.630 8.788 1.00 16.66 C ATOM 327 O ALA A 20 -21.912 -15.571 8.466 1.00 16.66 O ATOM 328 CB ALA A 20 -21.923 -18.868 7.809 1.00 50.00 C ATOM 0 H ALA A 20 -19.478 -19.080 8.200 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.066 -17.184 6.748 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.954 -18.547 7.660 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.651 -19.587 7.036 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.827 -19.335 8.789 1.00 50.00 H new ATOM 334 N ASN A 21 -21.226 -16.926 10.047 1.00 16.66 N ATOM 335 CA ASN A 21 -21.637 -15.944 11.091 1.00 16.66 C ATOM 336 C ASN A 21 -20.498 -14.953 11.339 1.00 16.66 C ATOM 337 O ASN A 21 -20.720 -13.817 11.707 1.00 16.66 O ATOM 338 CB ASN A 21 -22.014 -16.673 12.387 1.00 16.66 C ATOM 339 CG ASN A 21 -20.794 -17.358 13.009 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.875 -17.743 12.312 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.779 -17.523 14.303 1.00 16.66 N ATOM 0 H ASN A 21 -20.814 -17.792 10.394 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.512 -15.395 10.744 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.438 -15.963 13.097 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.785 -17.415 12.179 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.985 -17.983 14.749 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.561 -17.192 14.868 1.00 16.66 H new ATOM 348 N GLY A 22 -19.284 -15.368 11.120 1.00 16.66 N ATOM 349 CA GLY A 22 -18.135 -14.441 11.323 1.00 16.66 C ATOM 350 C GLY A 22 -17.637 -14.525 12.766 1.00 16.66 C ATOM 351 O GLY A 22 -17.251 -13.535 13.355 1.00 16.66 O ATOM 0 H GLY A 22 -19.036 -16.307 10.810 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.327 -14.695 10.637 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.438 -13.419 11.094 1.00 16.66 H new ATOM 355 N ASP A 23 -17.625 -15.696 13.337 1.00 16.66 N ATOM 356 CA ASP A 23 -17.129 -15.823 14.737 1.00 16.66 C ATOM 357 C ASP A 23 -15.633 -16.153 14.712 1.00 16.66 C ATOM 358 O ASP A 23 -15.022 -16.391 15.736 1.00 16.66 O ATOM 359 CB ASP A 23 -17.903 -16.915 15.484 1.00 16.66 C ATOM 360 CG ASP A 23 -17.739 -18.264 14.780 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.314 -18.270 13.641 1.00 16.66 O ATOM 362 OD2 ASP A 23 -18.057 -19.268 15.395 1.00 16.66 O ATOM 0 H ASP A 23 -17.934 -16.565 12.901 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.284 -14.880 15.261 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.543 -16.987 16.510 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.959 -16.651 15.535 1.00 16.66 H new ATOM 367 N GLY A 24 -15.035 -16.148 13.549 1.00 16.66 N ATOM 368 CA GLY A 24 -13.575 -16.438 13.454 1.00 16.66 C ATOM 369 C GLY A 24 -13.341 -17.928 13.195 1.00 16.66 C ATOM 370 O GLY A 24 -12.226 -18.356 12.970 1.00 16.66 O ATOM 0 H GLY A 24 -15.496 -15.955 12.660 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.133 -15.849 12.650 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.078 -16.141 14.378 1.00 16.66 H new ATOM 374 N LYS A 25 -14.370 -18.729 13.237 1.00 16.66 N ATOM 375 CA LYS A 25 -14.177 -20.189 13.004 1.00 16.66 C ATOM 376 C LYS A 25 -15.189 -20.694 11.973 1.00 16.66 C ATOM 377 O LYS A 25 -16.340 -20.285 11.950 1.00 16.66 O ATOM 378 CB LYS A 25 -14.366 -20.945 14.324 1.00 50.00 C ATOM 379 CG LYS A 25 -15.842 -20.930 14.717 1.00 50.00 C ATOM 380 CD LYS A 25 -16.069 -21.899 15.879 1.00 50.00 C ATOM 381 CE LYS A 25 -17.553 -22.260 15.959 1.00 50.00 C ATOM 382 NZ LYS A 25 -17.940 -22.459 17.383 1.00 50.00 N ATOM 0 H LYS A 25 -15.330 -18.439 13.421 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.170 -20.361 12.625 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.018 -21.973 14.219 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.766 -20.483 15.108 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.143 -19.923 15.005 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.459 -21.215 13.865 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.472 -22.800 15.737 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.743 -21.444 16.815 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -18.155 -21.468 15.515 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.749 -23.167 15.388 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -18.949 -22.704 17.437 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.374 -23.229 17.792 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.768 -21.582 17.915 1.00 50.00 H new ATOM 396 N ILE A 26 -14.763 -21.595 11.128 1.00 16.66 N ATOM 397 CA ILE A 26 -15.680 -22.156 10.095 1.00 16.66 C ATOM 398 C ILE A 26 -15.951 -23.629 10.401 1.00 16.66 C ATOM 399 O ILE A 26 -15.047 -24.395 10.673 1.00 16.66 O ATOM 400 CB ILE A 26 -15.031 -22.035 8.717 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.376 -20.662 8.579 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.101 -22.203 7.636 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.846 -20.497 7.155 1.00 16.66 C ATOM 0 H ILE A 26 -13.814 -21.968 11.110 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.619 -21.603 10.105 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.273 -22.809 8.602 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.098 -19.877 8.804 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.562 -20.561 9.297 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.641 -22.117 6.652 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.567 -23.184 7.734 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.859 -21.428 7.751 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.378 -19.518 7.052 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.111 -21.275 6.948 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.671 -20.580 6.448 1.00 16.66 H new ATOM 415 N SER A 27 -17.188 -24.033 10.353 1.00 16.66 N ATOM 416 CA SER A 27 -17.525 -25.455 10.636 1.00 16.66 C ATOM 417 C SER A 27 -17.894 -26.150 9.327 1.00 16.66 C ATOM 418 O SER A 27 -18.067 -25.515 8.306 1.00 16.66 O ATOM 419 CB SER A 27 -18.715 -25.517 11.596 1.00 50.00 C ATOM 420 OG SER A 27 -19.918 -25.302 10.873 1.00 50.00 O ATOM 0 H SER A 27 -17.985 -23.437 10.129 1.00 16.66 H new ATOM 0 HA SER A 27 -16.668 -25.952 11.090 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.745 -26.487 12.093 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.607 -24.763 12.375 1.00 50.00 H new ATOM 0 HG SER A 27 -20.681 -25.343 11.487 1.00 50.00 H new ATOM 426 N ALA A 28 -18.021 -27.447 9.343 1.00 16.66 N ATOM 427 CA ALA A 28 -18.382 -28.165 8.092 1.00 16.66 C ATOM 428 C ALA A 28 -19.610 -27.502 7.476 1.00 16.66 C ATOM 429 O ALA A 28 -19.656 -27.232 6.292 1.00 16.66 O ATOM 430 CB ALA A 28 -18.690 -29.630 8.409 1.00 50.00 C ATOM 0 H ALA A 28 -17.891 -28.038 10.164 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.550 -28.122 7.389 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.954 -30.153 7.490 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.812 -30.098 8.854 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.524 -29.683 9.109 1.00 50.00 H new ATOM 436 N ALA A 29 -20.607 -27.235 8.269 1.00 16.66 N ATOM 437 CA ALA A 29 -21.831 -26.586 7.729 1.00 16.66 C ATOM 438 C ALA A 29 -21.452 -25.273 7.046 1.00 16.66 C ATOM 439 O ALA A 29 -21.972 -24.933 6.002 1.00 16.66 O ATOM 440 CB ALA A 29 -22.808 -26.305 8.873 1.00 50.00 C ATOM 0 H ALA A 29 -20.627 -27.438 9.268 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.304 -27.249 7.004 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.705 -25.829 8.477 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.079 -27.242 9.359 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.337 -25.643 9.599 1.00 50.00 H new ATOM 446 N GLU A 30 -20.547 -24.533 7.622 1.00 16.66 N ATOM 447 CA GLU A 30 -20.137 -23.248 6.997 1.00 16.66 C ATOM 448 C GLU A 30 -19.231 -23.536 5.803 1.00 16.66 C ATOM 449 O GLU A 30 -19.480 -23.091 4.700 1.00 16.66 O ATOM 450 CB GLU A 30 -19.392 -22.394 8.027 1.00 16.66 C ATOM 451 CG GLU A 30 -20.352 -22.016 9.159 1.00 16.66 C ATOM 452 CD GLU A 30 -19.630 -21.120 10.170 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.605 -21.528 10.665 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.118 -20.042 10.434 1.00 16.66 O ATOM 0 H GLU A 30 -20.075 -24.763 8.497 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.019 -22.705 6.656 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.540 -22.945 8.426 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.997 -21.495 7.554 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.221 -21.497 8.754 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.719 -22.916 9.653 1.00 16.66 H new ATOM 461 N LEU A 31 -18.181 -24.279 6.010 1.00 16.66 N ATOM 462 CA LEU A 31 -17.259 -24.597 4.887 1.00 16.66 C ATOM 463 C LEU A 31 -18.041 -25.329 3.799 1.00 16.66 C ATOM 464 O LEU A 31 -17.945 -25.017 2.629 1.00 16.66 O ATOM 465 CB LEU A 31 -16.133 -25.495 5.410 1.00 16.66 C ATOM 466 CG LEU A 31 -14.979 -25.528 4.403 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.688 -25.927 5.121 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.282 -26.551 3.309 1.00 16.66 C ATOM 0 H LEU A 31 -17.921 -24.681 6.911 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.832 -23.682 4.475 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.777 -25.124 6.371 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.509 -26.504 5.577 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.862 -24.540 3.957 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.866 -25.951 4.405 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.467 -25.201 5.903 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.810 -26.914 5.567 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.460 -26.573 2.594 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.400 -27.538 3.756 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -16.202 -26.273 2.796 1.00 16.66 H new ATOM 480 N GLY A 32 -18.816 -26.303 4.181 1.00 16.66 N ATOM 481 CA GLY A 32 -19.611 -27.060 3.180 1.00 16.66 C ATOM 482 C GLY A 32 -20.570 -26.108 2.466 1.00 16.66 C ATOM 483 O GLY A 32 -20.733 -26.161 1.264 1.00 16.66 O ATOM 0 H GLY A 32 -18.933 -26.608 5.147 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.948 -27.535 2.457 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.170 -27.856 3.671 1.00 16.66 H new ATOM 487 N GLU A 33 -21.207 -25.242 3.200 1.00 16.66 N ATOM 488 CA GLU A 33 -22.161 -24.289 2.569 1.00 16.66 C ATOM 489 C GLU A 33 -21.439 -23.456 1.515 1.00 16.66 C ATOM 490 O GLU A 33 -21.958 -23.212 0.444 1.00 16.66 O ATOM 491 CB GLU A 33 -22.735 -23.368 3.644 1.00 50.00 C ATOM 492 CG GLU A 33 -23.943 -24.038 4.302 1.00 50.00 C ATOM 493 CD GLU A 33 -25.208 -23.702 3.509 1.00 50.00 C ATOM 494 OE1 GLU A 33 -25.127 -22.858 2.632 1.00 50.00 O ATOM 495 OE2 GLU A 33 -26.236 -24.294 3.794 1.00 50.00 O ATOM 0 H GLU A 33 -21.109 -25.152 4.211 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.968 -24.845 2.092 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -21.975 -23.149 4.394 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.030 -22.416 3.202 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -23.799 -25.118 4.337 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -24.045 -23.697 5.332 1.00 50.00 H new ATOM 502 N ALA A 34 -20.246 -23.023 1.799 1.00 16.66 N ATOM 503 CA ALA A 34 -19.500 -22.216 0.798 1.00 16.66 C ATOM 504 C ALA A 34 -19.049 -23.134 -0.333 1.00 16.66 C ATOM 505 O ALA A 34 -19.082 -22.775 -1.494 1.00 16.66 O ATOM 506 CB ALA A 34 -18.277 -21.577 1.462 1.00 50.00 C ATOM 0 H ALA A 34 -19.756 -23.192 2.678 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.141 -21.428 0.403 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.731 -20.986 0.727 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.602 -20.931 2.278 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.626 -22.358 1.855 1.00 50.00 H new ATOM 512 N LEU A 35 -18.623 -24.319 0.000 1.00 99.99 N ATOM 513 CA LEU A 35 -18.163 -25.269 -1.044 1.00 99.99 C ATOM 514 C LEU A 35 -19.299 -25.549 -2.027 1.00 99.99 C ATOM 515 O LEU A 35 -19.070 -25.782 -3.198 1.00 99.99 O ATOM 516 CB LEU A 35 -17.729 -26.577 -0.383 1.00 99.99 C ATOM 517 CG LEU A 35 -16.313 -26.429 0.181 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.807 -27.795 0.645 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.380 -25.884 -0.902 1.00 99.99 C ATOM 0 H LEU A 35 -18.574 -24.671 0.956 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.322 -24.833 -1.582 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.423 -26.839 0.416 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.758 -27.389 -1.109 1.00 99.99 H new ATOM 0 HG LEU A 35 -16.331 -25.738 1.024 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.799 -27.692 1.047 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.468 -28.184 1.419 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.792 -28.484 -0.200 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.374 -25.780 -0.497 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.362 -26.573 -1.747 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.739 -24.910 -1.235 1.00 99.99 H new ATOM 531 N LYS A 36 -20.523 -25.535 -1.569 1.00 99.99 N ATOM 532 CA LYS A 36 -21.662 -25.805 -2.491 1.00 99.99 C ATOM 533 C LYS A 36 -21.452 -25.047 -3.803 1.00 99.99 C ATOM 534 O LYS A 36 -21.942 -25.437 -4.843 1.00 99.99 O ATOM 535 CB LYS A 36 -22.965 -25.340 -1.839 1.00 99.99 C ATOM 536 CG LYS A 36 -23.863 -26.549 -1.569 1.00 99.99 C ATOM 537 CD LYS A 36 -25.173 -26.078 -0.934 1.00 99.99 C ATOM 538 CE LYS A 36 -25.294 -26.663 0.475 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.458 -26.042 1.171 1.00 99.99 N ATOM 0 H LYS A 36 -20.781 -25.349 -0.600 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.716 -26.874 -2.695 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.751 -24.818 -0.907 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.477 -24.632 -2.491 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.067 -27.079 -2.499 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.357 -27.251 -0.906 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.198 -24.989 -0.891 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -26.020 -26.393 -1.544 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -25.422 -27.744 0.422 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -24.379 -26.478 1.037 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -26.184 -25.779 2.139 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -26.759 -25.192 0.653 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -27.244 -26.722 1.207 1.00 99.99 H new ATOM 553 N THR A 37 -20.728 -23.963 -3.759 1.00 99.99 N ATOM 554 CA THR A 37 -20.486 -23.175 -5.000 1.00 99.99 C ATOM 555 C THR A 37 -19.948 -24.102 -6.088 1.00 99.99 C ATOM 556 O THR A 37 -20.103 -23.850 -7.267 1.00 99.99 O ATOM 557 CB THR A 37 -19.462 -22.076 -4.708 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.460 -21.138 -5.776 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.070 -22.692 -4.564 1.00 99.99 C ATOM 0 H THR A 37 -20.293 -23.588 -2.916 1.00 99.99 H new ATOM 0 HA THR A 37 -21.418 -22.722 -5.338 1.00 99.99 H new ATOM 0 HB THR A 37 -19.728 -21.571 -3.779 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.539 -20.231 -5.415 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.344 -21.906 -4.356 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.073 -23.410 -3.744 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.800 -23.200 -5.490 1.00 99.99 H new ATOM 567 N LEU A 38 -19.318 -25.174 -5.701 1.00 16.66 N ATOM 568 CA LEU A 38 -18.770 -26.122 -6.711 1.00 16.66 C ATOM 569 C LEU A 38 -19.927 -26.761 -7.481 1.00 16.66 C ATOM 570 O LEU A 38 -19.807 -27.087 -8.645 1.00 16.66 O ATOM 571 CB LEU A 38 -17.962 -27.210 -6.004 1.00 50.00 C ATOM 572 CG LEU A 38 -16.651 -26.617 -5.484 1.00 50.00 C ATOM 573 CD1 LEU A 38 -16.543 -26.860 -3.977 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.473 -27.282 -6.197 1.00 50.00 C ATOM 0 H LEU A 38 -19.158 -25.436 -4.728 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.122 -25.586 -7.404 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.538 -27.626 -5.178 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.755 -28.029 -6.693 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.634 -25.545 -5.679 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.609 -26.438 -3.606 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -17.383 -26.384 -3.471 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -16.560 -27.932 -3.779 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.539 -26.860 -5.827 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.489 -28.354 -6.003 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -15.551 -27.106 -7.270 1.00 50.00 H new ATOM 586 N GLY A 39 -21.046 -26.943 -6.837 1.00 16.66 N ATOM 587 CA GLY A 39 -22.213 -27.561 -7.528 1.00 16.66 C ATOM 588 C GLY A 39 -21.869 -28.998 -7.924 1.00 16.66 C ATOM 589 O GLY A 39 -22.586 -29.634 -8.671 1.00 16.66 O ATOM 0 H GLY A 39 -21.203 -26.690 -5.861 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.084 -27.552 -6.873 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.474 -26.981 -8.413 1.00 16.66 H new ATOM 593 N SER A 40 -20.777 -29.515 -7.431 1.00 16.66 N ATOM 594 CA SER A 40 -20.390 -30.909 -7.781 1.00 16.66 C ATOM 595 C SER A 40 -19.499 -31.484 -6.680 1.00 16.66 C ATOM 596 O SER A 40 -18.444 -32.025 -6.941 1.00 16.66 O ATOM 597 CB SER A 40 -19.628 -30.905 -9.106 1.00 16.66 C ATOM 598 OG SER A 40 -20.476 -31.377 -10.142 1.00 16.66 O ATOM 0 H SER A 40 -20.137 -29.032 -6.801 1.00 16.66 H new ATOM 0 HA SER A 40 -21.286 -31.523 -7.878 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.282 -29.897 -9.336 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.743 -31.536 -9.030 1.00 16.66 H new ATOM 0 HG SER A 40 -21.375 -31.004 -10.025 1.00 16.66 H new ATOM 604 N ILE A 41 -19.919 -31.375 -5.451 1.00 16.66 N ATOM 605 CA ILE A 41 -19.098 -31.921 -4.334 1.00 16.66 C ATOM 606 C ILE A 41 -20.010 -32.647 -3.345 1.00 16.66 C ATOM 607 O ILE A 41 -21.220 -32.608 -3.455 1.00 16.66 O ATOM 608 CB ILE A 41 -18.365 -30.777 -3.620 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.220 -31.351 -2.782 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.334 -30.026 -2.701 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.119 -30.299 -2.631 1.00 16.66 C ATOM 0 H ILE A 41 -20.794 -30.932 -5.171 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.362 -32.620 -4.732 1.00 16.66 H new ATOM 0 HB ILE A 41 -17.969 -30.088 -4.366 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.588 -31.650 -1.801 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.820 -32.246 -3.259 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.805 -29.216 -2.199 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.151 -29.614 -3.293 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.736 -30.713 -1.957 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.304 -30.708 -2.034 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.744 -30.021 -3.616 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.524 -29.417 -2.135 1.00 16.66 H new ATOM 623 N THR A 42 -19.440 -33.307 -2.377 1.00 16.66 N ATOM 624 CA THR A 42 -20.274 -34.032 -1.379 1.00 16.66 C ATOM 625 C THR A 42 -19.896 -33.549 0.017 1.00 16.66 C ATOM 626 O THR A 42 -18.880 -32.909 0.205 1.00 16.66 O ATOM 627 CB THR A 42 -20.022 -35.547 -1.473 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.217 -35.966 -0.378 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.303 -35.882 -2.782 1.00 16.66 C ATOM 0 H THR A 42 -18.433 -33.376 -2.233 1.00 16.66 H new ATOM 0 HA THR A 42 -21.327 -33.836 -1.579 1.00 16.66 H new ATOM 0 HB THR A 42 -20.981 -36.065 -1.446 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.797 -36.825 -0.591 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.130 -36.957 -2.837 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.919 -35.570 -3.626 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.348 -35.359 -2.817 1.00 16.66 H new ATOM 637 N PRO A 43 -20.719 -33.878 1.016 1.00 16.66 N ATOM 638 CA PRO A 43 -20.453 -33.492 2.400 1.00 16.66 C ATOM 639 C PRO A 43 -19.247 -34.258 2.938 1.00 16.66 C ATOM 640 O PRO A 43 -18.483 -33.760 3.741 1.00 16.66 O ATOM 641 CB PRO A 43 -21.725 -33.908 3.140 1.00 50.00 C ATOM 642 CG PRO A 43 -22.305 -34.996 2.302 1.00 50.00 C ATOM 643 CD PRO A 43 -21.965 -34.651 0.879 1.00 50.00 C ATOM 0 HA PRO A 43 -20.224 -32.432 2.513 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.501 -34.259 4.147 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.417 -33.072 3.240 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -21.889 -35.965 2.578 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.384 -35.061 2.440 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.822 -35.544 0.270 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.753 -34.066 0.406 1.00 50.00 H new ATOM 651 N ASP A 44 -19.082 -35.476 2.501 1.00 16.66 N ATOM 652 CA ASP A 44 -17.937 -36.298 2.980 1.00 16.66 C ATOM 653 C ASP A 44 -16.616 -35.666 2.541 1.00 16.66 C ATOM 654 O ASP A 44 -15.598 -35.850 3.178 1.00 16.66 O ATOM 655 CB ASP A 44 -18.044 -37.709 2.401 1.00 50.00 C ATOM 656 CG ASP A 44 -19.300 -38.390 2.947 1.00 50.00 C ATOM 657 OD1 ASP A 44 -19.922 -37.823 3.829 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.619 -39.468 2.473 1.00 50.00 O ATOM 0 H ASP A 44 -19.695 -35.939 1.829 1.00 16.66 H new ATOM 0 HA ASP A 44 -17.965 -36.345 4.069 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.085 -37.665 1.313 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.159 -38.289 2.663 1.00 50.00 H new ATOM 663 N GLU A 45 -16.610 -34.915 1.472 1.00 16.66 N ATOM 664 CA GLU A 45 -15.339 -34.281 1.034 1.00 16.66 C ATOM 665 C GLU A 45 -15.139 -33.009 1.845 1.00 16.66 C ATOM 666 O GLU A 45 -14.049 -32.693 2.277 1.00 16.66 O ATOM 667 CB GLU A 45 -15.418 -33.939 -0.455 1.00 16.66 C ATOM 668 CG GLU A 45 -15.611 -35.222 -1.265 1.00 16.66 C ATOM 669 CD GLU A 45 -14.319 -36.043 -1.239 1.00 16.66 C ATOM 670 OE1 GLU A 45 -13.313 -35.512 -0.797 1.00 16.66 O ATOM 671 OE2 GLU A 45 -14.358 -37.185 -1.662 1.00 16.66 O ATOM 0 H GLU A 45 -17.424 -34.716 0.890 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.503 -34.963 1.191 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.245 -33.253 -0.638 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.507 -33.431 -0.771 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -16.433 -35.806 -0.851 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -15.879 -34.979 -2.293 1.00 16.66 H new ATOM 678 N VAL A 46 -16.198 -32.285 2.069 1.00 16.66 N ATOM 679 CA VAL A 46 -16.089 -31.036 2.869 1.00 16.66 C ATOM 680 C VAL A 46 -15.620 -31.396 4.277 1.00 16.66 C ATOM 681 O VAL A 46 -14.862 -30.677 4.897 1.00 16.66 O ATOM 682 CB VAL A 46 -17.455 -30.357 2.940 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.412 -29.218 3.963 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.807 -29.798 1.562 1.00 50.00 C ATOM 0 H VAL A 46 -17.135 -32.505 1.732 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.376 -30.355 2.404 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.210 -31.082 3.246 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.388 -28.735 4.011 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.157 -29.619 4.944 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.661 -28.488 3.663 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.781 -29.311 1.605 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -17.052 -29.072 1.260 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.839 -30.611 0.837 1.00 50.00 H new ATOM 694 N LYS A 47 -16.062 -32.515 4.780 1.00 16.66 N ATOM 695 CA LYS A 47 -15.637 -32.937 6.142 1.00 16.66 C ATOM 696 C LYS A 47 -14.158 -33.318 6.099 1.00 16.66 C ATOM 697 O LYS A 47 -13.408 -33.053 7.018 1.00 16.66 O ATOM 698 CB LYS A 47 -16.466 -34.144 6.589 1.00 16.66 C ATOM 699 CG LYS A 47 -17.851 -33.675 7.038 1.00 16.66 C ATOM 700 CD LYS A 47 -18.577 -34.826 7.739 1.00 16.66 C ATOM 701 CE LYS A 47 -20.084 -34.555 7.739 1.00 50.00 C ATOM 702 NZ LYS A 47 -20.804 -35.750 7.216 1.00 50.00 N ATOM 0 H LYS A 47 -16.699 -33.155 4.306 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.790 -32.120 6.848 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.560 -34.857 5.770 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -15.963 -34.661 7.406 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -17.757 -32.825 7.714 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.429 -33.337 6.178 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.366 -35.767 7.230 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.215 -34.929 8.762 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.423 -34.326 8.749 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.308 -33.684 7.123 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -21.828 -35.566 7.216 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.488 -35.949 6.245 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.600 -36.571 7.821 1.00 50.00 H new ATOM 716 N HIS A 48 -13.735 -33.933 5.030 1.00 16.66 N ATOM 717 CA HIS A 48 -12.305 -34.329 4.913 1.00 16.66 C ATOM 718 C HIS A 48 -11.441 -33.073 4.810 1.00 16.66 C ATOM 719 O HIS A 48 -10.352 -33.013 5.343 1.00 16.66 O ATOM 720 CB HIS A 48 -12.111 -35.184 3.661 1.00 16.66 C ATOM 721 CG HIS A 48 -10.642 -35.406 3.428 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.129 -35.719 2.179 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.563 -35.361 4.275 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.796 -35.848 2.309 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.398 -35.640 3.566 1.00 50.00 N ATOM 0 H HIS A 48 -14.320 -34.179 4.231 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.013 -34.904 5.792 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.620 -36.141 3.779 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.556 -34.690 2.798 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.611 -35.142 5.332 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.129 -36.090 1.495 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.445 -35.677 3.929 1.00 50.00 H new ATOM 733 N MET A 49 -11.920 -32.062 4.133 1.00 16.66 N ATOM 734 CA MET A 49 -11.122 -30.817 4.010 1.00 16.66 C ATOM 735 C MET A 49 -10.895 -30.240 5.402 1.00 16.66 C ATOM 736 O MET A 49 -9.795 -29.871 5.765 1.00 16.66 O ATOM 737 CB MET A 49 -11.885 -29.808 3.155 1.00 16.66 C ATOM 738 CG MET A 49 -11.626 -30.095 1.675 1.00 16.66 C ATOM 739 SD MET A 49 -11.867 -28.580 0.714 1.00 16.66 S ATOM 740 CE MET A 49 -12.660 -29.350 -0.719 1.00 16.66 C ATOM 0 H MET A 49 -12.826 -32.049 3.664 1.00 16.66 H new ATOM 0 HA MET A 49 -10.163 -31.033 3.539 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.952 -29.869 3.367 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.569 -28.794 3.401 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.611 -30.467 1.538 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.301 -30.874 1.321 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.902 -28.584 -1.456 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.982 -30.079 -1.162 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.575 -29.851 -0.403 1.00 16.66 H new ATOM 750 N MET A 50 -11.930 -30.168 6.188 1.00 16.66 N ATOM 751 CA MET A 50 -11.784 -29.626 7.563 1.00 16.66 C ATOM 752 C MET A 50 -10.830 -30.519 8.352 1.00 16.66 C ATOM 753 O MET A 50 -9.911 -30.053 8.993 1.00 16.66 O ATOM 754 CB MET A 50 -13.151 -29.605 8.241 1.00 16.66 C ATOM 755 CG MET A 50 -13.921 -28.362 7.794 1.00 16.66 C ATOM 756 SD MET A 50 -15.284 -28.054 8.942 1.00 16.66 S ATOM 757 CE MET A 50 -14.297 -27.329 10.275 1.00 50.00 C ATOM 0 H MET A 50 -12.873 -30.462 5.936 1.00 16.66 H new ATOM 0 HA MET A 50 -11.384 -28.613 7.525 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.710 -30.505 7.984 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.032 -29.602 9.324 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.255 -27.500 7.763 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.306 -28.503 6.784 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.959 -26.867 11.008 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.709 -28.109 10.758 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.628 -26.573 9.863 1.00 50.00 H new ATOM 767 N ALA A 51 -11.039 -31.802 8.305 1.00 16.66 N ATOM 768 CA ALA A 51 -10.142 -32.731 9.048 1.00 16.66 C ATOM 769 C ALA A 51 -8.703 -32.530 8.571 1.00 16.66 C ATOM 770 O ALA A 51 -7.758 -32.895 9.242 1.00 16.66 O ATOM 771 CB ALA A 51 -10.573 -34.176 8.785 1.00 50.00 C ATOM 0 H ALA A 51 -11.793 -32.250 7.784 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.204 -32.525 10.117 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.917 -34.856 9.328 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.600 -34.316 9.122 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.509 -34.386 7.717 1.00 50.00 H new ATOM 777 N GLU A 52 -8.529 -31.946 7.415 1.00 16.66 N ATOM 778 CA GLU A 52 -7.150 -31.718 6.897 1.00 16.66 C ATOM 779 C GLU A 52 -6.745 -30.269 7.170 1.00 16.66 C ATOM 780 O GLU A 52 -5.608 -29.978 7.482 1.00 16.66 O ATOM 781 CB GLU A 52 -7.117 -31.984 5.392 1.00 16.66 C ATOM 782 CG GLU A 52 -6.967 -33.485 5.144 1.00 16.66 C ATOM 783 CD GLU A 52 -6.367 -33.715 3.756 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.500 -32.835 2.921 1.00 16.66 O ATOM 785 OE2 GLU A 52 -5.784 -34.767 3.550 1.00 16.66 O ATOM 0 H GLU A 52 -9.281 -31.618 6.809 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.455 -32.393 7.396 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.032 -31.617 4.927 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.288 -31.444 4.934 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.327 -33.928 5.907 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.938 -33.975 5.218 1.00 16.66 H new ATOM 792 N ILE A 53 -7.673 -29.361 7.058 1.00 16.66 N ATOM 793 CA ILE A 53 -7.355 -27.932 7.313 1.00 16.66 C ATOM 794 C ILE A 53 -7.352 -27.671 8.818 1.00 16.66 C ATOM 795 O ILE A 53 -6.591 -26.867 9.320 1.00 16.66 O ATOM 796 CB ILE A 53 -8.417 -27.064 6.645 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.399 -27.318 5.139 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.120 -25.593 6.925 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.536 -26.540 4.477 1.00 50.00 C ATOM 0 H ILE A 53 -8.642 -29.549 6.800 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.373 -27.692 6.906 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.401 -27.313 7.043 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.441 -27.011 4.719 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.508 -28.384 4.938 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.878 -24.972 6.448 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.131 -25.418 8.001 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.138 -25.338 6.526 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.523 -26.721 3.402 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.490 -26.869 4.889 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.407 -25.474 4.667 1.00 50.00 H new ATOM 811 N ASP A 54 -8.190 -28.354 9.544 1.00 16.66 N ATOM 812 CA ASP A 54 -8.242 -28.166 11.016 1.00 16.66 C ATOM 813 C ASP A 54 -6.870 -28.505 11.607 1.00 16.66 C ATOM 814 O ASP A 54 -6.512 -29.658 11.753 1.00 16.66 O ATOM 815 CB ASP A 54 -9.309 -29.106 11.581 1.00 16.66 C ATOM 816 CG ASP A 54 -9.826 -28.573 12.917 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.341 -27.544 13.352 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.708 -29.200 13.481 1.00 16.66 O ATOM 0 H ASP A 54 -8.847 -29.041 9.175 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.492 -27.136 11.269 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.134 -29.199 10.874 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.891 -30.104 11.716 1.00 16.66 H new ATOM 823 N THR A 55 -6.091 -27.508 11.927 1.00 16.66 N ATOM 824 CA THR A 55 -4.730 -27.762 12.483 1.00 16.66 C ATOM 825 C THR A 55 -4.822 -28.373 13.883 1.00 16.66 C ATOM 826 O THR A 55 -4.143 -29.331 14.195 1.00 16.66 O ATOM 827 CB THR A 55 -3.962 -26.440 12.558 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.712 -25.504 13.319 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.742 -25.897 11.146 1.00 50.00 C ATOM 0 H THR A 55 -6.339 -26.524 11.827 1.00 16.66 H new ATOM 0 HA THR A 55 -4.210 -28.463 11.830 1.00 16.66 H new ATOM 0 HB THR A 55 -2.996 -26.604 13.035 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.665 -25.728 13.267 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.195 -24.956 11.199 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.168 -26.618 10.564 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.706 -25.730 10.666 1.00 50.00 H new ATOM 837 N ASP A 56 -5.645 -27.827 14.729 1.00 16.66 N ATOM 838 CA ASP A 56 -5.763 -28.382 16.109 1.00 16.66 C ATOM 839 C ASP A 56 -6.816 -29.491 16.126 1.00 16.66 C ATOM 840 O ASP A 56 -6.657 -30.506 16.776 1.00 16.66 O ATOM 841 CB ASP A 56 -6.156 -27.262 17.080 1.00 16.66 C ATOM 842 CG ASP A 56 -7.656 -26.982 16.971 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.073 -26.475 15.944 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.360 -27.282 17.919 1.00 16.66 O ATOM 0 H ASP A 56 -6.241 -27.023 14.529 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.805 -28.799 16.419 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -5.904 -27.549 18.101 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.591 -26.358 16.854 1.00 16.66 H new ATOM 849 N GLY A 57 -7.885 -29.309 15.405 1.00 16.66 N ATOM 850 CA GLY A 57 -8.943 -30.357 15.363 1.00 16.66 C ATOM 851 C GLY A 57 -10.119 -29.970 16.267 1.00 16.66 C ATOM 852 O GLY A 57 -10.822 -30.822 16.774 1.00 16.66 O ATOM 0 H GLY A 57 -8.073 -28.479 14.842 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.292 -30.489 14.339 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.529 -31.313 15.684 1.00 16.66 H new ATOM 856 N ASP A 58 -10.356 -28.701 16.468 1.00 16.66 N ATOM 857 CA ASP A 58 -11.505 -28.300 17.331 1.00 16.66 C ATOM 858 C ASP A 58 -12.798 -28.395 16.520 1.00 16.66 C ATOM 859 O ASP A 58 -13.878 -28.157 17.023 1.00 16.66 O ATOM 860 CB ASP A 58 -11.319 -26.862 17.829 1.00 50.00 C ATOM 861 CG ASP A 58 -11.489 -25.889 16.664 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.956 -26.167 15.605 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.151 -24.880 16.851 1.00 50.00 O ATOM 0 H ASP A 58 -9.811 -27.933 16.077 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.555 -28.967 18.192 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.046 -26.640 18.610 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.330 -26.745 18.272 1.00 50.00 H new ATOM 868 N GLY A 59 -12.700 -28.749 15.264 1.00 16.66 N ATOM 869 CA GLY A 59 -13.924 -28.868 14.425 1.00 16.66 C ATOM 870 C GLY A 59 -14.100 -27.609 13.572 1.00 16.66 C ATOM 871 O GLY A 59 -14.987 -27.533 12.746 1.00 16.66 O ATOM 0 H GLY A 59 -11.824 -28.960 14.786 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.850 -29.745 13.782 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.798 -29.011 15.061 1.00 16.66 H new ATOM 875 N PHE A 60 -13.275 -26.615 13.767 1.00 16.66 N ATOM 876 CA PHE A 60 -13.427 -25.372 12.960 1.00 16.66 C ATOM 877 C PHE A 60 -12.075 -24.876 12.437 1.00 16.66 C ATOM 878 O PHE A 60 -11.012 -25.151 12.992 1.00 16.66 O ATOM 879 CB PHE A 60 -14.050 -24.272 13.818 1.00 50.00 C ATOM 880 CG PHE A 60 -15.253 -24.810 14.550 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.475 -24.941 13.883 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.147 -25.173 15.897 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.593 -25.436 14.562 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.264 -25.667 16.577 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.489 -25.799 15.910 1.00 50.00 C ATOM 0 H PHE A 60 -12.511 -26.610 14.443 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.070 -25.605 12.111 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.317 -23.897 14.532 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.342 -23.431 13.190 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.555 -24.660 12.843 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.203 -25.072 16.411 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.536 -25.538 14.046 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.183 -25.947 17.617 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.352 -26.180 16.435 1.00 50.00 H new ATOM 895 N ILE A 61 -12.116 -24.120 11.375 1.00 16.66 N ATOM 896 CA ILE A 61 -10.874 -23.564 10.796 1.00 16.66 C ATOM 897 C ILE A 61 -10.851 -22.057 11.061 1.00 16.66 C ATOM 898 O ILE A 61 -11.805 -21.357 10.786 1.00 16.66 O ATOM 899 CB ILE A 61 -10.856 -23.819 9.288 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.248 -25.272 9.010 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.451 -23.553 8.744 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.246 -26.212 9.684 1.00 16.66 C ATOM 0 H ILE A 61 -12.971 -23.864 10.882 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.002 -24.038 11.248 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.567 -23.154 8.798 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.253 -25.466 9.385 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.268 -25.455 7.936 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.437 -23.734 7.669 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.175 -22.517 8.941 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.739 -24.218 9.234 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.527 -27.246 9.485 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.248 -26.024 9.288 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.249 -26.036 10.760 1.00 16.66 H new ATOM 914 N SER A 62 -9.774 -21.549 11.585 1.00 16.66 N ATOM 915 CA SER A 62 -9.696 -20.090 11.856 1.00 16.66 C ATOM 916 C SER A 62 -8.987 -19.417 10.687 1.00 16.66 C ATOM 917 O SER A 62 -8.390 -20.070 9.854 1.00 16.66 O ATOM 918 CB SER A 62 -8.905 -19.851 13.144 1.00 16.66 C ATOM 919 OG SER A 62 -9.453 -20.639 14.190 1.00 16.66 O ATOM 0 H SER A 62 -8.942 -22.083 11.838 1.00 16.66 H new ATOM 0 HA SER A 62 -10.698 -19.676 11.972 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.857 -20.108 12.992 1.00 16.66 H new ATOM 0 HB3 SER A 62 -8.939 -18.795 13.414 1.00 16.66 H new ATOM 0 HG SER A 62 -8.945 -20.487 15.014 1.00 16.66 H new ATOM 925 N PHE A 63 -9.038 -18.119 10.611 1.00 16.66 N ATOM 926 CA PHE A 63 -8.358 -17.431 9.485 1.00 16.66 C ATOM 927 C PHE A 63 -6.900 -17.877 9.457 1.00 16.66 C ATOM 928 O PHE A 63 -6.337 -18.146 8.415 1.00 16.66 O ATOM 929 CB PHE A 63 -8.424 -15.919 9.681 1.00 16.66 C ATOM 930 CG PHE A 63 -7.701 -15.252 8.539 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.062 -15.550 7.221 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.670 -14.342 8.795 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.393 -14.938 6.157 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.999 -13.729 7.731 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.361 -14.027 6.411 1.00 16.66 C ATOM 0 H PHE A 63 -9.517 -17.510 11.274 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.850 -17.685 8.546 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.462 -15.587 9.716 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.968 -15.641 10.631 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.858 -16.253 7.025 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.392 -14.113 9.813 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.672 -15.168 5.139 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.203 -13.027 7.927 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.844 -13.554 5.589 1.00 16.66 H new ATOM 945 N GLN A 64 -6.289 -17.960 10.603 1.00 16.66 N ATOM 946 CA GLN A 64 -4.870 -18.393 10.663 1.00 16.66 C ATOM 947 C GLN A 64 -4.749 -19.812 10.102 1.00 16.66 C ATOM 948 O GLN A 64 -3.894 -20.098 9.287 1.00 16.66 O ATOM 949 CB GLN A 64 -4.410 -18.375 12.120 1.00 16.66 C ATOM 950 CG GLN A 64 -2.900 -18.610 12.182 1.00 16.66 C ATOM 951 CD GLN A 64 -2.172 -17.427 11.540 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.278 -16.310 12.005 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.434 -17.626 10.483 1.00 50.00 N ATOM 0 H GLN A 64 -6.714 -17.745 11.505 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.249 -17.720 10.073 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.659 -17.418 12.579 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.932 -19.146 12.687 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.582 -18.728 13.218 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.643 -19.534 11.663 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.345 -18.564 10.092 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.946 -16.844 10.047 1.00 50.00 H new ATOM 962 N GLU A 65 -5.603 -20.704 10.530 1.00 16.66 N ATOM 963 CA GLU A 65 -5.543 -22.101 10.020 1.00 16.66 C ATOM 964 C GLU A 65 -5.785 -22.096 8.512 1.00 16.66 C ATOM 965 O GLU A 65 -5.073 -22.723 7.753 1.00 16.66 O ATOM 966 CB GLU A 65 -6.628 -22.936 10.702 1.00 16.66 C ATOM 967 CG GLU A 65 -6.176 -23.336 12.109 1.00 16.66 C ATOM 968 CD GLU A 65 -7.287 -24.144 12.796 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.434 -23.916 12.490 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.970 -24.975 13.617 1.00 16.66 O ATOM 0 H GLU A 65 -6.340 -20.523 11.212 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.563 -22.528 10.234 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.555 -22.366 10.758 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.837 -23.828 10.111 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.263 -23.928 12.054 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.944 -22.446 12.694 1.00 16.66 H new ATOM 977 N PHE A 66 -6.791 -21.391 8.075 1.00 16.66 N ATOM 978 CA PHE A 66 -7.092 -21.339 6.617 1.00 16.66 C ATOM 979 C PHE A 66 -5.905 -20.726 5.876 1.00 16.66 C ATOM 980 O PHE A 66 -5.544 -21.154 4.797 1.00 16.66 O ATOM 981 CB PHE A 66 -8.339 -20.482 6.393 1.00 16.66 C ATOM 982 CG PHE A 66 -8.678 -20.447 4.923 1.00 16.66 C ATOM 983 CD1 PHE A 66 -9.423 -21.485 4.352 1.00 16.66 C ATOM 984 CD2 PHE A 66 -8.251 -19.374 4.132 1.00 16.66 C ATOM 985 CE1 PHE A 66 -9.742 -21.451 2.989 1.00 16.66 C ATOM 986 CE2 PHE A 66 -8.570 -19.339 2.770 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.315 -20.378 2.198 1.00 16.66 C ATOM 0 H PHE A 66 -7.419 -20.847 8.666 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.270 -22.346 6.240 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.177 -20.888 6.959 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -8.167 -19.470 6.760 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -9.752 -22.313 4.963 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -7.676 -18.573 4.573 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -10.317 -22.252 2.548 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -8.242 -18.511 2.160 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.560 -20.351 1.147 1.00 16.66 H new ATOM 997 N THR A 67 -5.295 -19.729 6.449 1.00 16.66 N ATOM 998 CA THR A 67 -4.128 -19.088 5.784 1.00 16.66 C ATOM 999 C THR A 67 -2.970 -20.086 5.721 1.00 16.66 C ATOM 1000 O THR A 67 -2.333 -20.251 4.699 1.00 16.66 O ATOM 1001 CB THR A 67 -3.699 -17.857 6.586 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.658 -16.823 6.413 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.333 -17.375 6.097 1.00 50.00 C ATOM 0 H THR A 67 -5.554 -19.329 7.351 1.00 16.66 H new ATOM 0 HA THR A 67 -4.403 -18.785 4.774 1.00 16.66 H new ATOM 0 HB THR A 67 -3.631 -18.118 7.642 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.418 -16.978 7.012 1.00 50.00 H new ATOM 0 HG21 THR A 67 -2.030 -16.498 6.670 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.598 -18.168 6.232 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.396 -17.114 5.041 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.691 -20.751 6.808 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.574 -21.737 6.814 1.00 25.00 C ATOM 1013 C ASP A 68 -1.834 -22.815 5.760 1.00 25.00 C ATOM 1014 O ASP A 68 -0.925 -23.298 5.115 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.473 -22.388 8.194 1.00 25.00 C ATOM 1016 CG ASP A 68 -1.009 -21.347 9.215 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.514 -20.314 8.795 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.158 -21.599 10.399 1.00 50.00 O ATOM 0 H ASP A 68 -3.189 -20.654 7.693 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.640 -21.224 6.585 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.440 -22.795 8.488 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.772 -23.222 8.164 1.00 25.00 H new ATOM 1023 N PHE A 69 -3.067 -23.197 5.581 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.387 -24.240 4.572 1.00 25.00 C ATOM 1025 C PHE A 69 -3.385 -23.595 3.181 1.00 25.00 C ATOM 1026 O PHE A 69 -2.989 -24.201 2.204 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.763 -24.843 4.912 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.518 -25.201 3.656 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.104 -24.191 2.893 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.628 -26.537 3.260 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.803 -24.513 1.725 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.328 -26.863 2.092 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.916 -25.850 1.323 1.00 50.00 C ATOM 0 H PHE A 69 -3.869 -22.829 6.093 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.647 -25.040 4.580 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.633 -25.732 5.529 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.342 -24.130 5.499 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -6.018 -23.160 3.204 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.174 -27.316 3.854 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.255 -23.731 1.133 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.415 -27.895 1.784 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.456 -26.100 0.421 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.821 -22.369 3.087 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.842 -21.684 1.764 1.00 16.66 C ATOM 1045 C GLY A 70 -2.422 -21.631 1.197 1.00 16.66 C ATOM 1046 O GLY A 70 -2.220 -21.617 -0.001 1.00 16.66 O ATOM 0 H GLY A 70 -4.164 -21.812 3.870 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.500 -22.216 1.077 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.241 -20.675 1.871 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.434 -21.602 2.050 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.028 -21.553 1.561 1.00 25.00 C ATOM 1052 C ARG A 71 0.359 -22.922 1.001 1.00 25.00 C ATOM 1053 O ARG A 71 1.161 -23.032 0.095 1.00 25.00 O ATOM 1054 CB ARG A 71 0.906 -21.194 2.719 1.00 50.00 C ATOM 1055 CG ARG A 71 0.494 -19.844 3.308 1.00 50.00 C ATOM 1056 CD ARG A 71 1.462 -19.460 4.428 1.00 50.00 C ATOM 1057 NE ARG A 71 1.440 -20.511 5.484 1.00 50.00 N ATOM 1058 CZ ARG A 71 1.650 -20.188 6.730 1.00 50.00 C ATOM 1059 NH1 ARG A 71 1.121 -19.101 7.220 1.00 50.00 N ATOM 1060 NH2 ARG A 71 2.390 -20.952 7.487 1.00 50.00 N ATOM 0 H ARG A 71 -1.541 -21.610 3.064 1.00 25.00 H new ATOM 0 HA ARG A 71 0.060 -20.798 0.779 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.863 -21.966 3.487 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.937 -21.150 2.368 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.498 -19.080 2.531 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.523 -19.899 3.695 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.471 -19.350 4.030 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.180 -18.496 4.853 1.00 50.00 H new ATOM 0 HE ARG A 71 1.261 -21.483 5.232 1.00 50.00 H new ATOM 0 HH11 ARG A 71 0.543 -18.504 6.629 1.00 50.00 H new ATOM 0 HH12 ARG A 71 1.285 -18.848 8.194 1.00 50.00 H new ATOM 0 HH21 ARG A 71 2.804 -21.802 7.104 1.00 50.00 H new ATOM 0 HH22 ARG A 71 2.554 -20.699 8.461 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.208 -23.967 1.536 1.00 25.00 N ATOM 1075 CA ALA A 72 0.121 -25.332 1.039 1.00 25.00 C ATOM 1076 C ALA A 72 -0.536 -25.549 -0.324 1.00 25.00 C ATOM 1077 O ALA A 72 -0.192 -26.458 -1.053 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.407 -26.371 2.030 1.00 50.00 C ATOM 0 H ALA A 72 -0.886 -23.935 2.297 1.00 25.00 H new ATOM 0 HA ALA A 72 1.202 -25.435 0.942 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.168 -27.372 1.670 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.058 -26.215 3.003 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.488 -26.268 2.124 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.483 -24.722 -0.675 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.165 -24.880 -1.988 1.00 25.00 C ATOM 1086 C ASN A 73 -2.611 -23.507 -2.491 1.00 25.00 C ATOM 1087 O ASN A 73 -3.769 -23.290 -2.788 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.387 -25.784 -1.817 1.00 25.00 C ATOM 1089 CG ASN A 73 -4.219 -25.292 -0.634 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -5.033 -24.400 -0.776 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -4.048 -25.840 0.536 1.00 50.00 N ATOM 0 H ASN A 73 -1.813 -23.942 -0.107 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.480 -25.328 -2.708 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -3.988 -25.778 -2.726 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.071 -26.814 -1.651 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -4.597 -25.521 1.334 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -3.365 -26.588 0.654 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.700 -22.579 -2.588 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.072 -21.221 -3.071 1.00 25.00 C ATOM 1100 C ARG A 74 -2.842 -21.359 -4.379 1.00 25.00 C ATOM 1101 O ARG A 74 -3.845 -20.709 -4.597 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.806 -20.393 -3.305 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.027 -20.268 -1.995 1.00 25.00 C ATOM 1104 CD ARG A 74 1.110 -19.260 -2.171 1.00 25.00 C ATOM 1105 NE ARG A 74 0.568 -17.877 -2.061 1.00 25.00 N ATOM 1106 CZ ARG A 74 0.917 -17.117 -1.059 1.00 50.00 C ATOM 1107 NH1 ARG A 74 0.735 -17.528 0.166 1.00 50.00 N ATOM 1108 NH2 ARG A 74 1.447 -15.946 -1.282 1.00 50.00 N ATOM 0 H ARG A 74 -0.715 -22.703 -2.354 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.692 -20.720 -2.327 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.185 -20.866 -4.066 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -1.070 -19.404 -3.679 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.692 -19.946 -1.194 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.375 -21.239 -1.705 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.876 -19.423 -1.413 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.587 -19.399 -3.141 1.00 25.00 H new ATOM 0 HE ARG A 74 -0.076 -17.524 -2.769 1.00 25.00 H new ATOM 0 HH11 ARG A 74 0.320 -18.443 0.341 1.00 50.00 H new ATOM 0 HH12 ARG A 74 1.008 -16.934 0.949 1.00 50.00 H new ATOM 0 HH21 ARG A 74 1.589 -15.624 -2.240 1.00 50.00 H new ATOM 0 HH22 ARG A 74 1.720 -15.352 -0.499 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.380 -22.211 -5.245 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.079 -22.413 -6.541 1.00 25.00 C ATOM 1124 C GLY A 75 -4.554 -22.719 -6.274 1.00 25.00 C ATOM 1125 O GLY A 75 -5.408 -22.494 -7.108 1.00 25.00 O ATOM 0 H GLY A 75 -1.544 -22.780 -5.111 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -2.987 -21.521 -7.161 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.619 -23.233 -7.092 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.858 -23.228 -5.111 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.277 -23.546 -4.784 1.00 25.00 C ATOM 1131 C LEU A 76 -7.002 -22.265 -4.370 1.00 25.00 C ATOM 1132 O LEU A 76 -8.122 -22.013 -4.768 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.324 -24.553 -3.633 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.907 -25.933 -4.142 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.988 -26.943 -2.995 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.845 -26.367 -5.271 1.00 50.00 C ATOM 0 H LEU A 76 -4.185 -23.437 -4.373 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.764 -23.974 -5.660 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.659 -24.234 -2.830 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.330 -24.597 -3.216 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.885 -25.889 -4.518 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.691 -27.928 -3.356 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.320 -26.635 -2.191 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -7.011 -26.987 -2.620 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.547 -27.351 -5.633 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.868 -26.412 -4.897 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.789 -25.647 -6.088 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.371 -21.460 -3.565 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.014 -20.197 -3.108 1.00 25.00 C ATOM 1150 C LEU A 77 -7.296 -19.295 -4.308 1.00 25.00 C ATOM 1151 O LEU A 77 -8.325 -18.654 -4.385 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.072 -19.477 -2.140 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.101 -20.159 -0.765 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -7.349 -19.713 -0.002 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -6.123 -21.683 -0.929 1.00 50.00 C ATOM 0 H LEU A 77 -5.432 -21.623 -3.201 1.00 25.00 H new ATOM 0 HA LEU A 77 -7.954 -20.429 -2.607 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.057 -19.485 -2.536 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.368 -18.433 -2.042 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.207 -19.875 -0.210 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -7.371 -20.197 0.975 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -7.328 -18.631 0.129 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -8.239 -19.993 -0.565 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.143 -22.154 0.054 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -7.010 -21.976 -1.490 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -5.231 -22.004 -1.467 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.391 -19.236 -5.242 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.607 -18.368 -6.435 1.00 25.00 C ATOM 1169 C LYS A 78 -7.777 -18.908 -7.259 1.00 25.00 C ATOM 1170 O LYS A 78 -8.521 -18.159 -7.863 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.341 -18.356 -7.294 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.180 -17.782 -6.478 1.00 25.00 C ATOM 1173 CD LYS A 78 -2.905 -17.798 -7.323 1.00 50.00 C ATOM 1174 CE LYS A 78 -3.197 -17.198 -8.700 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.914 -16.912 -9.402 1.00 50.00 N ATOM 0 H LYS A 78 -5.510 -19.751 -5.233 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.834 -17.354 -6.107 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.103 -19.367 -7.625 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.502 -17.757 -8.190 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.410 -16.763 -6.166 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.035 -18.368 -5.570 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -2.120 -17.229 -6.826 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.540 -18.819 -7.430 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -3.799 -17.890 -9.289 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.777 -16.281 -8.593 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -2.114 -16.504 -10.338 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -1.355 -16.237 -8.842 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.377 -17.795 -9.517 1.00 50.00 H new ATOM 1189 N ASP A 79 -7.948 -20.199 -7.289 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.070 -20.785 -8.074 1.00 25.00 C ATOM 1191 C ASP A 79 -10.378 -20.608 -7.303 1.00 25.00 C ATOM 1192 O ASP A 79 -11.382 -20.194 -7.846 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.810 -22.275 -8.299 1.00 25.00 C ATOM 1194 CG ASP A 79 -8.252 -22.489 -9.708 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -8.147 -21.516 -10.437 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -7.940 -23.622 -10.035 1.00 50.00 O ATOM 0 H ASP A 79 -7.359 -20.875 -6.803 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.144 -20.279 -9.036 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.105 -22.648 -7.557 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.734 -22.839 -8.173 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.368 -20.921 -6.040 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.604 -20.777 -5.221 1.00 25.00 C ATOM 1203 C VAL A 80 -11.877 -19.295 -4.971 1.00 25.00 C ATOM 1204 O VAL A 80 -13.002 -18.838 -4.999 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.397 -21.497 -3.882 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.601 -20.611 -2.918 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.759 -21.830 -3.265 1.00 50.00 C ATOM 0 H VAL A 80 -9.554 -21.272 -5.536 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.453 -21.214 -5.747 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.838 -22.416 -4.058 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.462 -21.135 -1.972 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.628 -20.383 -3.353 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.146 -19.684 -2.742 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.612 -22.342 -2.314 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.318 -20.909 -3.099 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.317 -22.477 -3.942 1.00 50.00 H new ATOM 1217 N ALA A 81 -10.843 -18.551 -4.714 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.008 -17.094 -4.443 1.00 25.00 C ATOM 1219 C ALA A 81 -11.787 -16.423 -5.577 1.00 25.00 C ATOM 1220 O ALA A 81 -12.535 -15.491 -5.356 1.00 25.00 O ATOM 1221 CB ALA A 81 -9.629 -16.443 -4.324 1.00 50.00 C ATOM 0 H ALA A 81 -9.881 -18.889 -4.679 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.562 -16.969 -3.513 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -9.746 -15.378 -4.126 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.077 -16.906 -3.506 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.080 -16.581 -5.255 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.615 -16.875 -6.787 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.343 -16.242 -7.925 1.00 25.00 C ATOM 1229 C LYS A 82 -13.780 -16.764 -7.975 1.00 25.00 C ATOM 1230 O LYS A 82 -14.661 -16.129 -8.518 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.633 -16.580 -9.237 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.240 -15.947 -9.240 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.657 -16.006 -10.653 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.137 -15.838 -10.585 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.560 -15.974 -11.953 1.00 50.00 N ATOM 0 H LYS A 82 -11.004 -17.652 -7.039 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.357 -15.161 -7.785 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.553 -17.661 -9.352 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.214 -16.211 -10.083 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.298 -14.912 -8.902 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.588 -16.474 -8.544 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.908 -16.957 -11.122 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.093 -15.221 -11.271 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -7.887 -14.862 -10.168 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -7.707 -16.588 -9.921 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.527 -15.860 -11.907 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.788 -16.915 -12.334 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -7.962 -15.243 -12.574 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.022 -17.915 -7.416 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.401 -18.475 -7.437 1.00 25.00 C ATOM 1251 C ILE A 83 -16.363 -17.485 -6.782 1.00 25.00 C ATOM 1252 O ILE A 83 -17.498 -17.341 -7.192 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.423 -19.797 -6.669 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.477 -20.791 -7.348 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -16.846 -20.356 -6.663 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.745 -22.202 -6.818 1.00 50.00 C ATOM 0 H ILE A 83 -13.325 -18.492 -6.945 1.00 25.00 H new ATOM 0 HA ILE A 83 -15.709 -18.649 -8.468 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.097 -19.633 -5.642 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.620 -20.764 -8.428 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.441 -20.511 -7.157 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -16.864 -21.299 -6.116 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.515 -19.643 -6.180 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.175 -20.525 -7.688 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.070 -22.907 -7.303 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.579 -22.224 -5.741 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.777 -22.481 -7.032 1.00 50.00 H new ATOM 1268 N PHE A 84 -15.917 -16.802 -5.768 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.801 -15.818 -5.084 1.00 25.00 C ATOM 1270 C PHE A 84 -16.551 -14.422 -5.656 1.00 25.00 C ATOM 1271 O PHE A 84 -15.654 -13.755 -5.168 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.497 -15.817 -3.584 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.878 -17.153 -2.994 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -15.960 -18.208 -3.002 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.150 -17.334 -2.438 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.314 -19.447 -2.453 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.504 -18.573 -1.890 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.586 -19.630 -1.898 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.261 -14.043 -6.574 1.00 99.99 O ATOM 0 H PHE A 84 -14.976 -16.882 -5.381 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.843 -16.094 -5.244 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.438 -15.622 -3.417 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.050 -15.018 -3.090 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -14.979 -18.067 -3.431 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.858 -16.518 -2.432 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.605 -20.262 -2.458 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.485 -18.713 -1.461 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.859 -20.586 -1.476 1.00 50.00 H new