USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 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+ 153:sc= -0.35 (180deg=-1.64!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.57! C(o=-3.6!,f=-8.2!) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 1.16 (180deg=0.964) USER MOD Single : A 27 SER OG : rot 180:sc=0.000533 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 130:sc= -2.44! USER MOD Single : A 40 SER OG : rot 40:sc= 0.0874 USER MOD Single : A 42 THR OG1 : rot -160:sc= 0.0638 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0176 (180deg=-0.388) USER MOD Single : A 48 HIS : no HE2:sc= -9.85! C(o=-9.9!,f=-14!) USER MOD Single : A 49 MET CE :methyl 175:sc= -0.0177 (180deg=-0.0539) USER MOD Single : A 50 MET CE :methyl 172:sc= -9.84! (180deg=-10.3!) USER MOD Single : A 55 THR OG1 : rot -23:sc= -2.54! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.54) USER MOD Single : A 67 THR OG1 : rot 78:sc= 0.806 USER MOD Single : A 73 ASN : amide:sc= -2.97! C(o=-3!,f=-4.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= -0.0745 (180deg=-0.0745) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= 1 (180deg=0.829) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.238 -10.739 -0.099 1.00 16.66 N ATOM 86 CA ASP A 7 -1.831 -12.102 -0.191 1.00 16.66 C ATOM 87 C ASP A 7 -2.852 -12.285 0.930 1.00 16.66 C ATOM 88 O ASP A 7 -3.948 -12.764 0.716 1.00 16.66 O ATOM 89 CB ASP A 7 -0.727 -13.152 -0.054 1.00 16.66 C ATOM 90 CG ASP A 7 -0.001 -13.306 -1.390 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.611 -13.028 -2.409 1.00 50.00 O ATOM 92 OD2 ASP A 7 1.154 -13.701 -1.373 1.00 50.00 O ATOM 0 HA ASP A 7 -2.323 -12.221 -1.156 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.022 -12.855 0.723 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.155 -14.107 0.252 1.00 16.66 H new ATOM 97 N LYS A 8 -2.499 -11.903 2.124 1.00 16.66 N ATOM 98 CA LYS A 8 -3.442 -12.049 3.265 1.00 16.66 C ATOM 99 C LYS A 8 -4.795 -11.449 2.884 1.00 16.66 C ATOM 100 O LYS A 8 -5.836 -11.964 3.239 1.00 16.66 O ATOM 101 CB LYS A 8 -2.881 -11.315 4.483 1.00 16.66 C ATOM 102 CG LYS A 8 -2.007 -12.274 5.290 1.00 16.66 C ATOM 103 CD LYS A 8 -2.018 -11.859 6.763 1.00 16.66 C ATOM 104 CE LYS A 8 -0.915 -12.611 7.510 1.00 50.00 C ATOM 105 NZ LYS A 8 0.356 -12.526 6.736 1.00 50.00 N ATOM 0 H LYS A 8 -1.595 -11.494 2.359 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.568 -13.105 3.504 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.296 -10.452 4.165 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.695 -10.938 5.102 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.376 -13.294 5.186 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.987 -12.264 4.906 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.864 -10.784 6.851 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.989 -12.079 7.207 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.778 -12.184 8.503 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -1.200 -13.654 7.648 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.164 -12.606 7.386 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.392 -13.300 6.042 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.400 -11.613 6.240 1.00 50.00 H new ATOM 119 N ALA A 9 -4.787 -10.368 2.159 1.00 16.66 N ATOM 120 CA ALA A 9 -6.073 -9.742 1.750 1.00 16.66 C ATOM 121 C ALA A 9 -6.906 -10.786 1.013 1.00 16.66 C ATOM 122 O ALA A 9 -8.087 -10.944 1.256 1.00 16.66 O ATOM 123 CB ALA A 9 -5.797 -8.556 0.824 1.00 16.66 C ATOM 0 H ALA A 9 -3.947 -9.891 1.832 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.612 -9.386 2.628 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.741 -8.100 0.526 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.187 -7.820 1.348 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.266 -8.902 -0.063 1.00 16.66 H new ATOM 129 N GLU A 10 -6.292 -11.505 0.121 1.00 16.66 N ATOM 130 CA GLU A 10 -7.035 -12.551 -0.634 1.00 16.66 C ATOM 131 C GLU A 10 -7.477 -13.643 0.338 1.00 16.66 C ATOM 132 O GLU A 10 -8.606 -14.091 0.316 1.00 16.66 O ATOM 133 CB GLU A 10 -6.124 -13.154 -1.704 1.00 16.66 C ATOM 134 CG GLU A 10 -5.511 -12.031 -2.543 1.00 16.66 C ATOM 135 CD GLU A 10 -4.849 -12.626 -3.787 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.482 -13.789 -3.741 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.722 -11.909 -4.767 1.00 16.66 O ATOM 0 H GLU A 10 -5.305 -11.415 -0.120 1.00 16.66 H new ATOM 0 HA GLU A 10 -7.908 -12.110 -1.115 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.336 -13.744 -1.236 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.693 -13.830 -2.342 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.282 -11.318 -2.834 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -4.776 -11.482 -1.954 1.00 16.66 H new ATOM 144 N ARG A 11 -6.595 -14.068 1.197 1.00 16.66 N ATOM 145 CA ARG A 11 -6.956 -15.125 2.182 1.00 16.66 C ATOM 146 C ARG A 11 -8.057 -14.605 3.103 1.00 16.66 C ATOM 147 O ARG A 11 -8.984 -15.311 3.446 1.00 16.66 O ATOM 148 CB ARG A 11 -5.728 -15.472 3.023 1.00 16.66 C ATOM 149 CG ARG A 11 -4.712 -16.222 2.162 1.00 16.66 C ATOM 150 CD ARG A 11 -3.501 -16.596 3.019 1.00 50.00 C ATOM 151 NE ARG A 11 -2.306 -16.748 2.145 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.249 -16.011 2.349 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.359 -14.711 2.391 1.00 50.00 N ATOM 154 NH2 ARG A 11 -0.081 -16.573 2.509 1.00 50.00 N ATOM 0 H ARG A 11 -5.635 -13.728 1.260 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.306 -16.011 1.652 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.280 -14.562 3.423 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -6.020 -16.085 3.876 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.166 -17.120 1.742 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.400 -15.600 1.323 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.321 -15.826 3.770 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -3.694 -17.525 3.555 1.00 50.00 H new ATOM 0 HE ARG A 11 -2.313 -17.429 1.386 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -2.271 -14.272 2.264 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -0.533 -14.134 2.550 1.00 50.00 H new ATOM 0 HH21 ARG A 11 0.005 -17.589 2.474 1.00 50.00 H new ATOM 0 HH22 ARG A 11 0.745 -15.996 2.668 1.00 50.00 H new ATOM 168 N GLU A 12 -7.955 -13.372 3.511 1.00 16.66 N ATOM 169 CA GLU A 12 -8.988 -12.795 4.417 1.00 16.66 C ATOM 170 C GLU A 12 -10.326 -12.731 3.685 1.00 16.66 C ATOM 171 O GLU A 12 -11.360 -13.065 4.229 1.00 16.66 O ATOM 172 CB GLU A 12 -8.566 -11.386 4.840 1.00 16.66 C ATOM 173 CG GLU A 12 -7.848 -11.454 6.190 1.00 16.66 C ATOM 174 CD GLU A 12 -7.937 -10.094 6.885 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.638 -9.236 6.376 1.00 50.00 O ATOM 176 OE2 GLU A 12 -7.301 -9.935 7.914 1.00 50.00 O ATOM 0 H GLU A 12 -7.199 -12.736 3.256 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.089 -13.423 5.302 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.909 -10.950 4.088 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.440 -10.739 4.913 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -8.299 -12.224 6.816 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.804 -11.733 6.045 1.00 16.66 H new ATOM 183 N ARG A 13 -10.316 -12.308 2.454 1.00 16.66 N ATOM 184 CA ARG A 13 -11.589 -12.227 1.688 1.00 16.66 C ATOM 185 C ARG A 13 -12.135 -13.636 1.475 1.00 16.66 C ATOM 186 O ARG A 13 -13.319 -13.880 1.597 1.00 16.66 O ATOM 187 CB ARG A 13 -11.332 -11.569 0.331 1.00 16.66 C ATOM 188 CG ARG A 13 -10.983 -10.094 0.536 1.00 16.66 C ATOM 189 CD ARG A 13 -10.359 -9.535 -0.744 1.00 16.66 C ATOM 190 NE ARG A 13 -11.018 -8.247 -1.097 1.00 50.00 N ATOM 191 CZ ARG A 13 -10.336 -7.307 -1.690 1.00 50.00 C ATOM 192 NH1 ARG A 13 -9.926 -6.272 -1.009 1.00 50.00 N ATOM 193 NH2 ARG A 13 -10.063 -7.401 -2.962 1.00 50.00 N ATOM 0 H ARG A 13 -9.482 -12.015 1.945 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.313 -11.632 2.244 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.517 -12.078 -0.183 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.215 -11.660 -0.302 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.879 -9.529 0.793 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.289 -9.986 1.369 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.289 -9.381 -0.603 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.473 -10.250 -1.559 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.003 -8.100 -0.875 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -10.139 -6.199 -0.014 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -9.392 -5.536 -1.472 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -10.383 -8.210 -3.494 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -9.529 -6.665 -3.425 1.00 50.00 H new ATOM 207 N ILE A 14 -11.281 -14.568 1.168 1.00 16.66 N ATOM 208 CA ILE A 14 -11.747 -15.964 0.955 1.00 16.66 C ATOM 209 C ILE A 14 -12.188 -16.556 2.293 1.00 16.66 C ATOM 210 O ILE A 14 -13.221 -17.190 2.394 1.00 16.66 O ATOM 211 CB ILE A 14 -10.606 -16.800 0.373 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.084 -16.133 -0.901 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.119 -18.203 0.043 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.643 -16.580 -1.158 1.00 50.00 C ATOM 0 H ILE A 14 -10.278 -14.423 1.055 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.586 -15.969 0.260 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.799 -16.871 1.102 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.715 -16.400 -1.749 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.127 -15.049 -0.800 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.306 -18.799 -0.372 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.490 -18.678 0.951 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -11.926 -18.133 -0.686 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.271 -16.105 -2.066 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.016 -16.291 -0.314 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.614 -17.663 -1.277 1.00 50.00 H new ATOM 226 N PHE A 15 -11.417 -16.352 3.326 1.00 16.66 N ATOM 227 CA PHE A 15 -11.804 -16.902 4.652 1.00 16.66 C ATOM 228 C PHE A 15 -13.064 -16.190 5.145 1.00 16.66 C ATOM 229 O PHE A 15 -13.922 -16.784 5.769 1.00 16.66 O ATOM 230 CB PHE A 15 -10.671 -16.691 5.658 1.00 16.66 C ATOM 231 CG PHE A 15 -11.070 -17.312 6.976 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.773 -16.559 7.924 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.747 -18.647 7.243 1.00 16.66 C ATOM 234 CE1 PHE A 15 -12.154 -17.143 9.140 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.125 -19.231 8.458 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.828 -18.479 9.407 1.00 16.66 C ATOM 0 H PHE A 15 -10.540 -15.831 3.308 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.998 -17.970 4.555 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.750 -17.144 5.290 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.473 -15.627 5.786 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -12.022 -15.528 7.718 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.205 -19.228 6.511 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.699 -16.563 9.871 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.874 -20.261 8.663 1.00 16.66 H new ATOM 0 HZ PHE A 15 -12.119 -18.929 10.345 1.00 16.66 H new ATOM 246 N LYS A 16 -13.185 -14.923 4.866 1.00 16.66 N ATOM 247 CA LYS A 16 -14.392 -14.175 5.315 1.00 16.66 C ATOM 248 C LYS A 16 -15.630 -14.749 4.626 1.00 16.66 C ATOM 249 O LYS A 16 -16.709 -14.768 5.182 1.00 16.66 O ATOM 250 CB LYS A 16 -14.243 -12.695 4.952 1.00 50.00 C ATOM 251 CG LYS A 16 -13.378 -11.998 6.004 1.00 50.00 C ATOM 252 CD LYS A 16 -14.214 -11.731 7.257 1.00 50.00 C ATOM 253 CE LYS A 16 -13.288 -11.383 8.423 1.00 50.00 C ATOM 254 NZ LYS A 16 -14.058 -10.654 9.471 1.00 50.00 N ATOM 0 H LYS A 16 -12.501 -14.373 4.347 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.499 -14.272 6.395 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.788 -12.595 3.967 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.223 -12.222 4.900 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -12.518 -12.620 6.253 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.989 -11.060 5.607 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -14.910 -10.912 7.075 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.811 -12.609 7.503 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -12.855 -12.292 8.841 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -12.459 -10.768 8.072 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -13.428 -10.418 10.264 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -14.450 -9.779 9.068 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -14.834 -11.256 9.813 1.00 50.00 H new ATOM 268 N ARG A 17 -15.483 -15.224 3.420 1.00 16.66 N ATOM 269 CA ARG A 17 -16.651 -15.804 2.702 1.00 16.66 C ATOM 270 C ARG A 17 -17.027 -17.134 3.354 1.00 16.66 C ATOM 271 O ARG A 17 -18.187 -17.478 3.469 1.00 16.66 O ATOM 272 CB ARG A 17 -16.286 -16.043 1.237 1.00 16.66 C ATOM 273 CG ARG A 17 -16.124 -14.699 0.526 1.00 16.66 C ATOM 274 CD ARG A 17 -15.892 -14.940 -0.967 1.00 50.00 C ATOM 275 NE ARG A 17 -15.658 -13.637 -1.650 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.566 -13.448 -2.340 1.00 50.00 C ATOM 277 NH1 ARG A 17 -13.973 -14.459 -2.914 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.068 -12.247 -2.458 1.00 50.00 N ATOM 0 H ARG A 17 -14.605 -15.235 2.901 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.493 -15.114 2.756 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.361 -16.616 1.170 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.062 -16.633 0.749 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.014 -14.087 0.673 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.285 -14.148 0.952 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.035 -15.597 -1.111 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -16.755 -15.442 -1.404 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.351 -12.892 -1.579 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -14.363 -15.397 -2.824 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -13.120 -14.311 -3.453 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -14.532 -11.456 -2.011 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -13.215 -12.099 -2.997 1.00 50.00 H new ATOM 292 N PHE A 18 -16.051 -17.885 3.781 1.00 16.66 N ATOM 293 CA PHE A 18 -16.342 -19.197 4.425 1.00 16.66 C ATOM 294 C PHE A 18 -17.022 -18.966 5.775 1.00 16.66 C ATOM 295 O PHE A 18 -18.019 -19.586 6.091 1.00 16.66 O ATOM 296 CB PHE A 18 -15.036 -19.964 4.632 1.00 16.66 C ATOM 297 CG PHE A 18 -14.644 -20.645 3.343 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.329 -21.790 2.919 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.594 -20.132 2.572 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.964 -22.423 1.725 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.229 -20.765 1.378 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.914 -21.910 0.954 1.00 16.66 C ATOM 0 H PHE A 18 -15.062 -17.647 3.712 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.005 -19.777 3.783 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.247 -19.282 4.950 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.157 -20.703 5.424 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.139 -22.185 3.513 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.066 -19.248 2.898 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.492 -23.307 1.399 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.419 -20.370 0.784 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.632 -22.397 0.032 1.00 16.66 H new ATOM 312 N ASP A 19 -16.499 -18.080 6.573 1.00 16.66 N ATOM 313 CA ASP A 19 -17.126 -17.815 7.897 1.00 16.66 C ATOM 314 C ASP A 19 -18.541 -17.271 7.677 1.00 16.66 C ATOM 315 O ASP A 19 -18.727 -16.128 7.308 1.00 16.66 O ATOM 316 CB ASP A 19 -16.286 -16.793 8.670 1.00 16.66 C ATOM 317 CG ASP A 19 -16.541 -16.964 10.163 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.279 -17.866 10.508 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.991 -16.195 10.934 1.00 16.66 O ATOM 0 H ASP A 19 -15.666 -17.528 6.367 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.176 -18.738 8.475 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.228 -16.934 8.451 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.544 -15.781 8.358 1.00 16.66 H new ATOM 324 N ALA A 20 -19.540 -18.091 7.875 1.00 16.66 N ATOM 325 CA ALA A 20 -20.945 -17.637 7.652 1.00 16.66 C ATOM 326 C ALA A 20 -21.371 -16.612 8.709 1.00 16.66 C ATOM 327 O ALA A 20 -21.877 -15.557 8.383 1.00 16.66 O ATOM 328 CB ALA A 20 -21.881 -18.847 7.717 1.00 50.00 C ATOM 0 H ALA A 20 -19.443 -19.059 8.183 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.002 -17.164 6.672 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.908 -18.521 7.555 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.602 -19.565 6.946 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.800 -19.317 8.697 1.00 50.00 H new ATOM 334 N ASN A 21 -21.187 -16.903 9.971 1.00 16.66 N ATOM 335 CA ASN A 21 -21.608 -15.921 11.013 1.00 16.66 C ATOM 336 C ASN A 21 -20.482 -14.915 11.258 1.00 16.66 C ATOM 337 O ASN A 21 -20.724 -13.766 11.570 1.00 16.66 O ATOM 338 CB ASN A 21 -21.972 -16.653 12.312 1.00 16.66 C ATOM 339 CG ASN A 21 -20.739 -17.312 12.934 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.805 -17.656 12.238 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.728 -17.497 14.224 1.00 16.66 N ATOM 0 H ASN A 21 -20.770 -17.765 10.321 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.489 -15.382 10.665 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.409 -15.949 13.020 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.729 -17.410 12.107 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.924 -17.939 14.669 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.524 -17.200 14.789 1.00 16.66 H new ATOM 348 N GLY A 22 -19.257 -15.328 11.103 1.00 16.66 N ATOM 349 CA GLY A 22 -18.124 -14.381 11.309 1.00 16.66 C ATOM 350 C GLY A 22 -17.605 -14.480 12.744 1.00 16.66 C ATOM 351 O GLY A 22 -17.208 -13.497 13.336 1.00 16.66 O ATOM 0 H GLY A 22 -18.990 -16.277 10.843 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.320 -14.606 10.608 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.451 -13.362 11.102 1.00 16.66 H new ATOM 355 N ASP A 23 -17.591 -15.654 13.306 1.00 16.66 N ATOM 356 CA ASP A 23 -17.078 -15.795 14.699 1.00 16.66 C ATOM 357 C ASP A 23 -15.582 -16.123 14.659 1.00 16.66 C ATOM 358 O ASP A 23 -14.956 -16.339 15.679 1.00 16.66 O ATOM 359 CB ASP A 23 -17.841 -16.899 15.441 1.00 16.66 C ATOM 360 CG ASP A 23 -17.665 -18.239 14.724 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.263 -18.228 13.577 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.947 -19.255 15.337 1.00 16.66 O ATOM 0 H ASP A 23 -17.910 -16.518 12.867 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.229 -14.856 15.232 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.477 -16.976 16.466 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.899 -16.645 15.497 1.00 16.66 H new ATOM 367 N GLY A 24 -15.000 -16.144 13.488 1.00 16.66 N ATOM 368 CA GLY A 24 -13.540 -16.434 13.382 1.00 16.66 C ATOM 369 C GLY A 24 -13.310 -17.927 13.133 1.00 16.66 C ATOM 370 O GLY A 24 -12.195 -18.359 12.915 1.00 16.66 O ATOM 0 H GLY A 24 -15.473 -15.973 12.601 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.105 -15.852 12.570 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.035 -16.129 14.298 1.00 16.66 H new ATOM 374 N LYS A 25 -14.342 -18.724 13.172 1.00 16.66 N ATOM 375 CA LYS A 25 -14.155 -20.184 12.945 1.00 16.66 C ATOM 376 C LYS A 25 -15.174 -20.689 11.921 1.00 16.66 C ATOM 377 O LYS A 25 -16.318 -20.262 11.891 1.00 16.66 O ATOM 378 CB LYS A 25 -14.337 -20.940 14.266 1.00 50.00 C ATOM 379 CG LYS A 25 -15.787 -20.823 14.733 1.00 50.00 C ATOM 380 CD LYS A 25 -16.059 -21.883 15.802 1.00 50.00 C ATOM 381 CE LYS A 25 -17.562 -22.163 15.873 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.183 -21.279 16.899 1.00 50.00 N ATOM 0 H LYS A 25 -15.302 -18.429 13.350 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.149 -20.358 12.564 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.071 -21.989 14.135 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.667 -20.533 15.024 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -15.973 -19.827 15.136 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.465 -20.957 13.890 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.518 -22.800 15.566 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.696 -21.539 16.771 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -18.022 -21.988 14.900 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.737 -23.209 16.125 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.174 -21.560 17.045 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.662 -21.368 17.795 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -18.147 -20.292 16.574 1.00 50.00 H new ATOM 396 N ILE A 26 -14.760 -21.604 11.087 1.00 16.66 N ATOM 397 CA ILE A 26 -15.681 -22.160 10.059 1.00 16.66 C ATOM 398 C ILE A 26 -15.985 -23.623 10.379 1.00 16.66 C ATOM 399 O ILE A 26 -15.103 -24.404 10.672 1.00 16.66 O ATOM 400 CB ILE A 26 -15.021 -22.069 8.685 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.252 -20.753 8.576 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.096 -22.123 7.598 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.647 -20.639 7.179 1.00 16.66 C ATOM 0 H ILE A 26 -13.817 -21.992 11.075 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.609 -21.589 10.058 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.332 -22.904 8.557 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.918 -19.912 8.766 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.466 -20.714 9.330 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.625 -22.058 6.617 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.645 -23.061 7.676 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.785 -21.288 7.726 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.097 -19.702 7.096 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -12.968 -21.474 7.007 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.443 -20.660 6.435 1.00 16.66 H new ATOM 415 N SER A 27 -17.230 -23.996 10.318 1.00 16.66 N ATOM 416 CA SER A 27 -17.609 -25.405 10.611 1.00 16.66 C ATOM 417 C SER A 27 -17.971 -26.103 9.303 1.00 16.66 C ATOM 418 O SER A 27 -18.142 -25.470 8.281 1.00 16.66 O ATOM 419 CB SER A 27 -18.821 -25.423 11.545 1.00 50.00 C ATOM 420 OG SER A 27 -20.007 -25.251 10.784 1.00 50.00 O ATOM 0 H SER A 27 -18.007 -23.382 10.076 1.00 16.66 H new ATOM 0 HA SER A 27 -16.775 -25.919 11.089 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.859 -26.366 12.090 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.734 -24.629 12.287 1.00 50.00 H new ATOM 0 HG SER A 27 -20.784 -25.264 11.381 1.00 50.00 H new ATOM 426 N ALA A 28 -18.098 -27.399 9.320 1.00 16.66 N ATOM 427 CA ALA A 28 -18.457 -28.114 8.068 1.00 16.66 C ATOM 428 C ALA A 28 -19.677 -27.440 7.449 1.00 16.66 C ATOM 429 O ALA A 28 -19.720 -27.175 6.266 1.00 16.66 O ATOM 430 CB ALA A 28 -18.777 -29.578 8.379 1.00 50.00 C ATOM 0 H ALA A 28 -17.970 -27.990 10.141 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.620 -28.078 7.370 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -19.039 -30.097 7.457 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.905 -30.054 8.827 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.615 -29.627 9.074 1.00 50.00 H new ATOM 436 N ALA A 29 -20.671 -27.159 8.242 1.00 16.66 N ATOM 437 CA ALA A 29 -21.888 -26.500 7.697 1.00 16.66 C ATOM 438 C ALA A 29 -21.494 -25.197 7.006 1.00 16.66 C ATOM 439 O ALA A 29 -22.001 -24.864 5.952 1.00 16.66 O ATOM 440 CB ALA A 29 -22.864 -26.202 8.838 1.00 50.00 C ATOM 0 H ALA A 29 -20.693 -27.357 9.242 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.368 -27.162 6.976 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.755 -25.719 8.438 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.145 -27.134 9.329 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.387 -25.541 9.561 1.00 50.00 H new ATOM 446 N GLU A 30 -20.591 -24.457 7.585 1.00 16.66 N ATOM 447 CA GLU A 30 -20.167 -23.180 6.953 1.00 16.66 C ATOM 448 C GLU A 30 -19.257 -23.484 5.765 1.00 16.66 C ATOM 449 O GLU A 30 -19.498 -23.045 4.658 1.00 16.66 O ATOM 450 CB GLU A 30 -19.412 -22.327 7.975 1.00 16.66 C ATOM 451 CG GLU A 30 -20.362 -21.932 9.108 1.00 16.66 C ATOM 452 CD GLU A 30 -19.621 -21.042 10.109 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.601 -21.465 10.603 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.086 -19.953 10.365 1.00 16.66 O ATOM 0 H GLU A 30 -20.130 -24.681 8.467 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.045 -22.633 6.609 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.564 -22.883 8.374 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -19.010 -21.435 7.495 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.226 -21.403 8.705 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.739 -22.824 9.608 1.00 16.66 H new ATOM 461 N LEU A 31 -18.213 -24.230 5.984 1.00 16.66 N ATOM 462 CA LEU A 31 -17.287 -24.559 4.867 1.00 16.66 C ATOM 463 C LEU A 31 -18.064 -25.311 3.789 1.00 16.66 C ATOM 464 O LEU A 31 -17.951 -25.028 2.612 1.00 16.66 O ATOM 465 CB LEU A 31 -16.152 -25.439 5.396 1.00 16.66 C ATOM 466 CG LEU A 31 -15.037 -25.529 4.352 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.744 -25.986 5.028 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.430 -26.539 3.274 1.00 16.66 C ATOM 0 H LEU A 31 -17.960 -24.627 6.889 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.867 -23.646 4.446 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.761 -25.024 6.325 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.529 -26.436 5.626 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.885 -24.550 3.897 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.949 -26.051 4.286 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.463 -25.269 5.799 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.897 -26.965 5.482 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.636 -26.604 2.530 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.581 -27.518 3.730 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -16.353 -26.217 2.793 1.00 16.66 H new ATOM 480 N GLY A 32 -18.857 -26.263 4.185 1.00 16.66 N ATOM 481 CA GLY A 32 -19.651 -27.032 3.192 1.00 16.66 C ATOM 482 C GLY A 32 -20.623 -26.086 2.491 1.00 16.66 C ATOM 483 O GLY A 32 -20.775 -26.115 1.287 1.00 16.66 O ATOM 0 H GLY A 32 -18.990 -26.543 5.157 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.990 -27.500 2.463 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.198 -27.834 3.687 1.00 16.66 H new ATOM 487 N GLU A 33 -21.286 -25.248 3.238 1.00 16.66 N ATOM 488 CA GLU A 33 -22.250 -24.301 2.619 1.00 16.66 C ATOM 489 C GLU A 33 -21.534 -23.454 1.573 1.00 16.66 C ATOM 490 O GLU A 33 -22.040 -23.229 0.491 1.00 16.66 O ATOM 491 CB GLU A 33 -22.837 -23.394 3.700 1.00 50.00 C ATOM 492 CG GLU A 33 -24.153 -23.988 4.207 1.00 50.00 C ATOM 493 CD GLU A 33 -24.910 -22.934 5.018 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.457 -21.801 5.047 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.929 -23.276 5.594 1.00 50.00 O ATOM 0 H GLU A 33 -21.201 -25.179 4.252 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.053 -24.861 2.140 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.132 -23.290 4.524 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.008 -22.395 3.298 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.761 -24.321 3.366 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.955 -24.864 4.824 1.00 50.00 H new ATOM 502 N ALA A 34 -20.356 -22.989 1.875 1.00 16.66 N ATOM 503 CA ALA A 34 -19.613 -22.171 0.881 1.00 16.66 C ATOM 504 C ALA A 34 -19.108 -23.096 -0.222 1.00 16.66 C ATOM 505 O ALA A 34 -19.129 -22.765 -1.390 1.00 16.66 O ATOM 506 CB ALA A 34 -18.428 -21.484 1.560 1.00 50.00 C ATOM 0 H ALA A 34 -19.878 -23.139 2.763 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.267 -21.408 0.460 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.886 -20.885 0.828 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.791 -20.838 2.359 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.761 -22.238 1.978 1.00 50.00 H new ATOM 512 N LEU A 35 -18.653 -24.259 0.150 1.00 99.99 N ATOM 513 CA LEU A 35 -18.143 -25.221 -0.864 1.00 99.99 C ATOM 514 C LEU A 35 -19.252 -25.548 -1.864 1.00 99.99 C ATOM 515 O LEU A 35 -18.998 -25.783 -3.028 1.00 99.99 O ATOM 516 CB LEU A 35 -17.687 -26.503 -0.167 1.00 99.99 C ATOM 517 CG LEU A 35 -16.159 -26.527 -0.097 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.695 -27.837 0.545 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.583 -26.421 -1.510 1.00 99.99 C ATOM 0 H LEU A 35 -18.612 -24.585 1.116 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.300 -24.777 -1.393 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.109 -26.554 0.837 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -18.051 -27.375 -0.711 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.811 -25.686 0.503 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.606 -27.852 0.594 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.105 -27.914 1.552 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -16.043 -28.679 -0.053 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.494 -26.438 -1.461 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.933 -27.262 -2.109 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.911 -25.488 -1.968 1.00 99.99 H new ATOM 531 N LYS A 36 -20.482 -25.568 -1.425 1.00 99.99 N ATOM 532 CA LYS A 36 -21.597 -25.883 -2.361 1.00 99.99 C ATOM 533 C LYS A 36 -21.399 -25.112 -3.667 1.00 99.99 C ATOM 534 O LYS A 36 -21.859 -25.518 -4.716 1.00 99.99 O ATOM 535 CB LYS A 36 -22.929 -25.477 -1.725 1.00 99.99 C ATOM 536 CG LYS A 36 -23.809 -26.717 -1.554 1.00 99.99 C ATOM 537 CD LYS A 36 -25.148 -26.312 -0.933 1.00 99.99 C ATOM 538 CE LYS A 36 -25.419 -27.173 0.302 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.862 -27.546 0.342 1.00 99.99 N ATOM 0 H LYS A 36 -20.761 -25.380 -0.462 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.606 -26.953 -2.568 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.754 -25.005 -0.758 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.435 -24.742 -2.351 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -23.974 -27.195 -2.520 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.307 -27.447 -0.919 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.129 -25.258 -0.657 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.951 -26.437 -1.660 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.801 -28.071 0.275 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.149 -26.627 1.206 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -27.046 -28.131 1.182 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -27.442 -26.684 0.387 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -27.106 -28.083 -0.515 1.00 99.99 H new ATOM 553 N THR A 37 -20.718 -24.000 -3.612 1.00 99.99 N ATOM 554 CA THR A 37 -20.492 -23.202 -4.849 1.00 99.99 C ATOM 555 C THR A 37 -19.888 -24.100 -5.928 1.00 99.99 C ATOM 556 O THR A 37 -20.032 -23.853 -7.109 1.00 99.99 O ATOM 557 CB THR A 37 -19.529 -22.052 -4.540 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.547 -21.120 -5.613 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.112 -22.600 -4.360 1.00 99.99 C ATOM 0 H THR A 37 -20.308 -23.610 -2.763 1.00 99.99 H new ATOM 0 HA THR A 37 -21.440 -22.797 -5.204 1.00 99.99 H new ATOM 0 HB THR A 37 -19.841 -21.555 -3.621 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.679 -20.216 -5.259 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.430 -21.779 -4.140 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.100 -23.313 -3.535 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.796 -23.099 -5.276 1.00 99.99 H new ATOM 567 N LEU A 38 -19.216 -25.144 -5.531 1.00 16.66 N ATOM 568 CA LEU A 38 -18.605 -26.061 -6.534 1.00 16.66 C ATOM 569 C LEU A 38 -19.711 -26.665 -7.401 1.00 16.66 C ATOM 570 O LEU A 38 -19.519 -26.939 -8.569 1.00 16.66 O ATOM 571 CB LEU A 38 -17.851 -27.182 -5.815 1.00 50.00 C ATOM 572 CG LEU A 38 -16.622 -26.604 -5.108 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.715 -27.747 -4.649 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.854 -25.700 -6.074 1.00 50.00 C ATOM 0 H LEU A 38 -19.063 -25.402 -4.556 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.908 -25.504 -7.161 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.505 -27.667 -5.090 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.546 -27.946 -6.530 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.941 -26.022 -4.243 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.840 -27.337 -4.145 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.262 -28.391 -3.960 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.397 -28.329 -5.514 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.979 -25.289 -5.570 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.535 -26.280 -6.940 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.500 -24.886 -6.402 1.00 50.00 H new ATOM 586 N GLY A 39 -20.870 -26.870 -6.837 1.00 16.66 N ATOM 587 CA GLY A 39 -21.993 -27.453 -7.624 1.00 16.66 C ATOM 588 C GLY A 39 -21.643 -28.885 -8.034 1.00 16.66 C ATOM 589 O GLY A 39 -22.328 -29.498 -8.827 1.00 16.66 O ATOM 0 H GLY A 39 -21.088 -26.658 -5.863 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.908 -27.447 -7.031 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.183 -26.847 -8.510 1.00 16.66 H new ATOM 593 N SER A 40 -20.581 -29.424 -7.500 1.00 16.66 N ATOM 594 CA SER A 40 -20.191 -30.814 -7.862 1.00 16.66 C ATOM 595 C SER A 40 -19.335 -31.410 -6.744 1.00 16.66 C ATOM 596 O SER A 40 -18.261 -31.928 -6.980 1.00 16.66 O ATOM 597 CB SER A 40 -19.389 -30.790 -9.162 1.00 16.66 C ATOM 598 OG SER A 40 -20.211 -31.226 -10.235 1.00 16.66 O ATOM 0 H SER A 40 -19.968 -28.961 -6.829 1.00 16.66 H new ATOM 0 HA SER A 40 -21.085 -31.422 -7.996 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.023 -29.782 -9.357 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.515 -31.435 -9.074 1.00 16.66 H new ATOM 0 HG SER A 40 -21.111 -30.852 -10.131 1.00 16.66 H new ATOM 604 N ILE A 41 -19.802 -31.342 -5.528 1.00 16.66 N ATOM 605 CA ILE A 41 -19.014 -31.906 -4.396 1.00 16.66 C ATOM 606 C ILE A 41 -19.958 -32.609 -3.417 1.00 16.66 C ATOM 607 O ILE A 41 -21.163 -32.585 -3.571 1.00 16.66 O ATOM 608 CB ILE A 41 -18.267 -30.774 -3.677 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.140 -31.364 -2.827 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.233 -30.004 -2.771 1.00 50.00 C ATOM 611 CD1 ILE A 41 -15.989 -30.360 -2.735 1.00 16.66 C ATOM 0 H ILE A 41 -20.694 -30.921 -5.269 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.291 -32.627 -4.778 1.00 16.66 H new ATOM 0 HB ILE A 41 -17.850 -30.094 -4.420 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.509 -31.602 -1.829 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.788 -32.297 -3.268 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.696 -29.202 -2.264 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.036 -29.579 -3.373 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.656 -30.682 -2.030 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.187 -30.781 -2.129 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.614 -30.144 -3.735 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.346 -29.439 -2.275 1.00 16.66 H new ATOM 623 N THR A 42 -19.416 -33.231 -2.409 1.00 16.66 N ATOM 624 CA THR A 42 -20.273 -33.931 -1.414 1.00 16.66 C ATOM 625 C THR A 42 -19.887 -33.462 -0.016 1.00 16.66 C ATOM 626 O THR A 42 -18.858 -32.845 0.176 1.00 16.66 O ATOM 627 CB THR A 42 -20.069 -35.453 -1.511 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.280 -35.898 -0.414 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.358 -35.810 -2.819 1.00 16.66 C ATOM 0 H THR A 42 -18.413 -33.285 -2.231 1.00 16.66 H new ATOM 0 HA THR A 42 -21.319 -33.701 -1.616 1.00 16.66 H new ATOM 0 HB THR A 42 -21.044 -35.940 -1.489 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.886 -36.770 -0.627 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.220 -36.890 -2.875 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.961 -35.477 -3.664 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.386 -35.318 -2.851 1.00 16.66 H new ATOM 637 N PRO A 43 -20.716 -33.783 0.981 1.00 16.66 N ATOM 638 CA PRO A 43 -20.440 -33.411 2.367 1.00 16.66 C ATOM 639 C PRO A 43 -19.245 -34.201 2.892 1.00 16.66 C ATOM 640 O PRO A 43 -18.458 -33.718 3.682 1.00 16.66 O ATOM 641 CB PRO A 43 -21.716 -33.813 3.109 1.00 50.00 C ATOM 642 CG PRO A 43 -22.316 -34.886 2.262 1.00 50.00 C ATOM 643 CD PRO A 43 -21.977 -34.530 0.843 1.00 50.00 C ATOM 0 HA PRO A 43 -20.196 -32.356 2.489 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.494 -34.176 4.112 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.395 -32.967 3.219 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -21.912 -35.863 2.526 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.395 -34.938 2.404 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.854 -35.418 0.223 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.757 -33.924 0.382 1.00 50.00 H new ATOM 651 N ASP A 44 -19.112 -35.421 2.451 1.00 16.66 N ATOM 652 CA ASP A 44 -17.977 -36.265 2.911 1.00 16.66 C ATOM 653 C ASP A 44 -16.651 -35.625 2.498 1.00 16.66 C ATOM 654 O ASP A 44 -15.647 -35.788 3.162 1.00 16.66 O ATOM 655 CB ASP A 44 -18.090 -37.657 2.286 1.00 50.00 C ATOM 656 CG ASP A 44 -19.400 -38.310 2.730 1.00 50.00 C ATOM 657 OD1 ASP A 44 -19.994 -37.819 3.676 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.788 -39.291 2.117 1.00 50.00 O ATOM 0 H ASP A 44 -19.744 -35.871 1.789 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.010 -36.349 3.997 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.058 -37.583 1.199 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.243 -38.273 2.588 1.00 50.00 H new ATOM 663 N GLU A 45 -16.631 -34.892 1.417 1.00 16.66 N ATOM 664 CA GLU A 45 -15.360 -34.247 0.995 1.00 16.66 C ATOM 665 C GLU A 45 -15.174 -32.979 1.817 1.00 16.66 C ATOM 666 O GLU A 45 -14.084 -32.644 2.235 1.00 16.66 O ATOM 667 CB GLU A 45 -15.431 -33.888 -0.491 1.00 16.66 C ATOM 668 CG GLU A 45 -15.521 -35.169 -1.322 1.00 16.66 C ATOM 669 CD GLU A 45 -15.305 -34.834 -2.801 1.00 16.66 C ATOM 670 OE1 GLU A 45 -14.960 -33.700 -3.086 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.489 -35.718 -3.621 1.00 16.66 O ATOM 0 H GLU A 45 -17.434 -34.714 0.814 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.523 -34.927 1.153 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.298 -33.256 -0.682 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.550 -33.316 -0.780 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -14.771 -35.886 -0.987 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.495 -35.638 -1.183 1.00 16.66 H new ATOM 678 N VAL A 46 -16.243 -32.277 2.059 1.00 16.66 N ATOM 679 CA VAL A 46 -16.150 -31.032 2.866 1.00 16.66 C ATOM 680 C VAL A 46 -15.694 -31.388 4.280 1.00 16.66 C ATOM 681 O VAL A 46 -14.935 -30.670 4.900 1.00 16.66 O ATOM 682 CB VAL A 46 -17.518 -30.358 2.925 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.500 -29.250 3.981 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.842 -29.757 1.558 1.00 50.00 C ATOM 0 H VAL A 46 -17.180 -32.513 1.732 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.433 -30.350 2.409 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.277 -31.094 3.190 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.478 -28.770 4.021 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.266 -29.680 4.955 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.743 -28.510 3.719 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.819 -29.274 1.595 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -17.083 -29.020 1.295 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.856 -30.547 0.807 1.00 50.00 H new ATOM 694 N LYS A 47 -16.148 -32.499 4.789 1.00 16.66 N ATOM 695 CA LYS A 47 -15.735 -32.908 6.159 1.00 16.66 C ATOM 696 C LYS A 47 -14.264 -33.312 6.128 1.00 16.66 C ATOM 697 O LYS A 47 -13.514 -33.045 7.046 1.00 16.66 O ATOM 698 CB LYS A 47 -16.589 -34.090 6.623 1.00 16.66 C ATOM 699 CG LYS A 47 -18.038 -33.631 6.805 1.00 16.66 C ATOM 700 CD LYS A 47 -18.865 -34.772 7.400 1.00 16.66 C ATOM 701 CE LYS A 47 -20.318 -34.318 7.556 1.00 50.00 C ATOM 702 NZ LYS A 47 -20.397 -33.244 8.586 1.00 50.00 N ATOM 0 H LYS A 47 -16.786 -33.140 4.317 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.875 -32.079 6.853 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.541 -34.897 5.892 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.201 -34.487 7.561 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -18.075 -32.761 7.460 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.457 -33.326 5.846 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.814 -35.649 6.754 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.458 -35.065 8.368 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.699 -33.951 6.603 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.944 -35.162 7.847 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -21.380 -33.148 8.913 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -19.787 -33.490 9.391 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.080 -32.343 8.174 1.00 50.00 H new ATOM 716 N HIS A 48 -13.843 -33.949 5.072 1.00 16.66 N ATOM 717 CA HIS A 48 -12.419 -34.366 4.970 1.00 16.66 C ATOM 718 C HIS A 48 -11.538 -33.122 4.850 1.00 16.66 C ATOM 719 O HIS A 48 -10.456 -33.060 5.401 1.00 16.66 O ATOM 720 CB HIS A 48 -12.229 -35.243 3.733 1.00 16.66 C ATOM 721 CG HIS A 48 -10.768 -35.547 3.552 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.292 -36.843 3.429 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.663 -34.734 3.475 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.957 -36.774 3.283 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.521 -35.511 3.304 1.00 50.00 N ATOM 0 H HIS A 48 -14.426 -34.199 4.273 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.140 -34.931 5.860 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.793 -36.169 3.841 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.617 -34.734 2.851 1.00 16.66 H new ATOM 0 HD1 HIS A 48 -10.853 -37.695 3.446 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.678 -33.656 3.538 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.315 -37.634 3.163 1.00 50.00 H new ATOM 733 N MET A 49 -11.991 -32.124 4.138 1.00 16.66 N ATOM 734 CA MET A 49 -11.176 -30.890 3.996 1.00 16.66 C ATOM 735 C MET A 49 -10.957 -30.282 5.377 1.00 16.66 C ATOM 736 O MET A 49 -9.858 -29.915 5.742 1.00 16.66 O ATOM 737 CB MET A 49 -11.916 -29.891 3.108 1.00 16.66 C ATOM 738 CG MET A 49 -11.559 -30.147 1.643 1.00 16.66 C ATOM 739 SD MET A 49 -11.562 -28.580 0.738 1.00 16.66 S ATOM 740 CE MET A 49 -12.468 -29.163 -0.717 1.00 16.66 C ATOM 0 H MET A 49 -12.887 -32.113 3.652 1.00 16.66 H new ATOM 0 HA MET A 49 -10.215 -31.130 3.542 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.992 -29.987 3.253 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.647 -28.872 3.386 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.578 -30.617 1.574 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.276 -30.837 1.198 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.665 -28.323 -1.383 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.872 -29.910 -1.241 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.413 -29.607 -0.404 1.00 16.66 H new ATOM 750 N MET A 50 -12.000 -30.180 6.149 1.00 16.66 N ATOM 751 CA MET A 50 -11.862 -29.604 7.510 1.00 16.66 C ATOM 752 C MET A 50 -10.915 -30.476 8.331 1.00 16.66 C ATOM 753 O MET A 50 -10.009 -29.994 8.977 1.00 16.66 O ATOM 754 CB MET A 50 -13.235 -29.565 8.180 1.00 16.66 C ATOM 755 CG MET A 50 -13.985 -28.312 7.728 1.00 16.66 C ATOM 756 SD MET A 50 -15.368 -28.001 8.852 1.00 16.66 S ATOM 757 CE MET A 50 -14.408 -27.232 10.178 1.00 50.00 C ATOM 0 H MET A 50 -12.944 -30.472 5.894 1.00 16.66 H new ATOM 0 HA MET A 50 -11.460 -28.593 7.446 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.805 -30.457 7.919 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.123 -29.564 9.264 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.311 -27.455 7.717 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.352 -28.442 6.710 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.085 -26.826 10.929 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.760 -27.978 10.638 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.799 -26.427 9.767 1.00 50.00 H new ATOM 767 N ALA A 51 -11.120 -31.761 8.304 1.00 16.66 N ATOM 768 CA ALA A 51 -10.234 -32.677 9.078 1.00 16.66 C ATOM 769 C ALA A 51 -8.789 -32.507 8.607 1.00 16.66 C ATOM 770 O ALA A 51 -7.854 -32.861 9.299 1.00 16.66 O ATOM 771 CB ALA A 51 -10.677 -34.123 8.850 1.00 50.00 C ATOM 0 H ALA A 51 -11.864 -32.220 7.779 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.300 -32.438 10.139 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -10.031 -34.795 9.415 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.707 -34.245 9.184 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.609 -34.361 7.789 1.00 50.00 H new ATOM 777 N GLU A 52 -8.597 -31.964 7.437 1.00 16.66 N ATOM 778 CA GLU A 52 -7.211 -31.769 6.926 1.00 16.66 C ATOM 779 C GLU A 52 -6.771 -30.336 7.210 1.00 16.66 C ATOM 780 O GLU A 52 -5.624 -30.072 7.512 1.00 16.66 O ATOM 781 CB GLU A 52 -7.180 -32.028 5.419 1.00 16.66 C ATOM 782 CG GLU A 52 -7.072 -33.533 5.164 1.00 16.66 C ATOM 783 CD GLU A 52 -6.481 -33.775 3.773 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.477 -32.846 2.982 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.042 -34.886 3.523 1.00 16.66 O ATOM 0 H GLU A 52 -9.339 -31.647 6.813 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.534 -32.465 7.423 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.082 -31.633 4.952 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.334 -31.510 4.967 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.443 -33.997 5.924 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -8.056 -33.997 5.238 1.00 16.66 H new ATOM 792 N ILE A 53 -7.681 -29.409 7.122 1.00 16.66 N ATOM 793 CA ILE A 53 -7.334 -27.990 7.390 1.00 16.66 C ATOM 794 C ILE A 53 -7.340 -27.735 8.897 1.00 16.66 C ATOM 795 O ILE A 53 -6.580 -26.936 9.406 1.00 16.66 O ATOM 796 CB ILE A 53 -8.370 -27.093 6.720 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.357 -27.346 5.214 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.033 -25.633 7.005 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.474 -26.543 4.551 1.00 50.00 C ATOM 0 H ILE A 53 -8.656 -29.576 6.874 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.342 -27.773 6.994 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.362 -27.315 7.113 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.392 -27.060 4.795 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.490 -28.409 5.012 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.772 -24.989 6.527 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.043 -25.461 8.081 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.043 -25.404 6.610 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.464 -26.724 3.476 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.436 -26.850 4.962 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.321 -25.481 4.741 1.00 50.00 H new ATOM 811 N ASP A 54 -8.188 -28.415 9.614 1.00 16.66 N ATOM 812 CA ASP A 54 -8.250 -28.229 11.088 1.00 16.66 C ATOM 813 C ASP A 54 -6.881 -28.559 11.693 1.00 16.66 C ATOM 814 O ASP A 54 -6.521 -29.709 11.848 1.00 16.66 O ATOM 815 CB ASP A 54 -9.316 -29.177 11.642 1.00 16.66 C ATOM 816 CG ASP A 54 -9.864 -28.643 12.967 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.402 -27.605 13.402 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.747 -29.280 13.519 1.00 16.66 O ATOM 0 H ASP A 54 -8.846 -29.098 9.238 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.506 -27.200 11.339 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.127 -29.284 10.922 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.889 -30.169 11.790 1.00 16.66 H new ATOM 823 N THR A 55 -6.107 -27.558 12.016 1.00 16.66 N ATOM 824 CA THR A 55 -4.751 -27.809 12.591 1.00 16.66 C ATOM 825 C THR A 55 -4.864 -28.387 14.002 1.00 16.66 C ATOM 826 O THR A 55 -4.194 -29.342 14.344 1.00 16.66 O ATOM 827 CB THR A 55 -3.972 -26.493 12.647 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.722 -25.531 13.374 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.720 -25.985 11.228 1.00 50.00 C ATOM 0 H THR A 55 -6.355 -26.575 11.907 1.00 16.66 H new ATOM 0 HA THR A 55 -4.230 -28.526 11.957 1.00 16.66 H new ATOM 0 HB THR A 55 -3.016 -26.657 13.144 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.671 -25.774 13.355 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.165 -25.048 11.270 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.142 -26.724 10.674 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.673 -25.820 10.726 1.00 50.00 H new ATOM 837 N ASP A 56 -5.695 -27.818 14.826 1.00 16.66 N ATOM 838 CA ASP A 56 -5.833 -28.342 16.216 1.00 16.66 C ATOM 839 C ASP A 56 -6.882 -29.456 16.239 1.00 16.66 C ATOM 840 O ASP A 56 -6.735 -30.449 16.922 1.00 16.66 O ATOM 841 CB ASP A 56 -6.248 -27.205 17.157 1.00 16.66 C ATOM 842 CG ASP A 56 -7.749 -26.941 17.025 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.160 -26.472 15.977 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.460 -27.217 17.975 1.00 16.66 O ATOM 0 H ASP A 56 -6.284 -27.016 14.601 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.878 -28.746 16.551 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.005 -27.467 18.187 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.688 -26.301 16.918 1.00 16.66 H new ATOM 849 N GLY A 57 -7.932 -29.301 15.484 1.00 16.66 N ATOM 850 CA GLY A 57 -8.983 -30.354 15.446 1.00 16.66 C ATOM 851 C GLY A 57 -10.179 -29.953 16.316 1.00 16.66 C ATOM 852 O GLY A 57 -10.891 -30.798 16.822 1.00 16.66 O ATOM 0 H GLY A 57 -8.108 -28.490 14.891 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.310 -30.512 14.418 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.571 -31.300 15.798 1.00 16.66 H new ATOM 856 N ASP A 58 -10.424 -28.680 16.490 1.00 16.66 N ATOM 857 CA ASP A 58 -11.593 -28.270 17.320 1.00 16.66 C ATOM 858 C ASP A 58 -12.868 -28.387 16.481 1.00 16.66 C ATOM 859 O ASP A 58 -13.960 -28.152 16.959 1.00 16.66 O ATOM 860 CB ASP A 58 -11.424 -26.825 17.804 1.00 50.00 C ATOM 861 CG ASP A 58 -11.589 -25.860 16.630 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.033 -26.133 15.582 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.269 -24.862 16.800 1.00 50.00 O ATOM 0 H ASP A 58 -9.873 -27.916 16.099 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.661 -28.922 18.191 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.161 -26.602 18.575 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.441 -26.696 18.256 1.00 50.00 H new ATOM 868 N GLY A 59 -12.739 -28.758 15.234 1.00 16.66 N ATOM 869 CA GLY A 59 -13.942 -28.901 14.370 1.00 16.66 C ATOM 870 C GLY A 59 -14.116 -27.651 13.504 1.00 16.66 C ATOM 871 O GLY A 59 -14.991 -27.588 12.664 1.00 16.66 O ATOM 0 H GLY A 59 -11.851 -28.968 14.779 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.842 -29.782 13.736 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.828 -29.052 14.987 1.00 16.66 H new ATOM 875 N PHE A 60 -13.300 -26.650 13.703 1.00 16.66 N ATOM 876 CA PHE A 60 -13.448 -25.414 12.887 1.00 16.66 C ATOM 877 C PHE A 60 -12.090 -24.920 12.375 1.00 16.66 C ATOM 878 O PHE A 60 -11.032 -25.202 12.936 1.00 16.66 O ATOM 879 CB PHE A 60 -14.080 -24.310 13.734 1.00 50.00 C ATOM 880 CG PHE A 60 -15.293 -24.845 14.448 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.546 -24.794 13.829 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.168 -25.389 15.731 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.674 -25.286 14.492 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.295 -25.882 16.395 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.550 -25.831 15.775 1.00 50.00 C ATOM 0 H PHE A 60 -12.545 -26.636 14.389 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.083 -25.652 12.034 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.356 -23.935 14.458 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.361 -23.469 13.100 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.642 -24.374 12.839 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.200 -25.428 16.209 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.642 -25.246 14.014 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.198 -26.302 17.385 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.421 -26.212 16.287 1.00 50.00 H new ATOM 895 N ILE A 61 -12.123 -24.156 11.317 1.00 16.66 N ATOM 896 CA ILE A 61 -10.873 -23.599 10.752 1.00 16.66 C ATOM 897 C ILE A 61 -10.845 -22.097 11.044 1.00 16.66 C ATOM 898 O ILE A 61 -11.783 -21.383 10.750 1.00 16.66 O ATOM 899 CB ILE A 61 -10.848 -23.827 9.239 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.186 -25.290 8.934 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.456 -23.500 8.698 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.209 -26.210 9.671 1.00 16.66 C ATOM 0 H ILE A 61 -12.974 -23.895 10.819 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.006 -24.087 11.198 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.584 -23.180 8.763 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.209 -25.509 9.241 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.130 -25.470 7.860 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.437 -23.662 7.620 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.218 -22.458 8.912 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.719 -24.146 9.175 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.452 -27.250 9.452 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.192 -25.998 9.342 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.287 -26.038 10.745 1.00 16.66 H new ATOM 914 N SER A 62 -9.781 -21.610 11.612 1.00 16.66 N ATOM 915 CA SER A 62 -9.698 -20.158 11.912 1.00 16.66 C ATOM 916 C SER A 62 -8.982 -19.459 10.760 1.00 16.66 C ATOM 917 O SER A 62 -8.422 -20.097 9.890 1.00 16.66 O ATOM 918 CB SER A 62 -8.913 -19.944 13.210 1.00 16.66 C ATOM 919 OG SER A 62 -9.458 -20.767 14.232 1.00 16.66 O ATOM 0 H SER A 62 -8.963 -22.157 11.882 1.00 16.66 H new ATOM 0 HA SER A 62 -10.700 -19.747 12.031 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.861 -20.185 13.056 1.00 16.66 H new ATOM 0 HB3 SER A 62 -8.960 -18.896 13.508 1.00 16.66 H new ATOM 0 HG SER A 62 -8.956 -20.633 15.063 1.00 16.66 H new ATOM 925 N PHE A 63 -8.995 -18.161 10.740 1.00 16.66 N ATOM 926 CA PHE A 63 -8.316 -17.441 9.634 1.00 16.66 C ATOM 927 C PHE A 63 -6.856 -17.880 9.580 1.00 16.66 C ATOM 928 O PHE A 63 -6.307 -18.131 8.525 1.00 16.66 O ATOM 929 CB PHE A 63 -8.384 -15.935 9.872 1.00 16.66 C ATOM 930 CG PHE A 63 -7.695 -15.237 8.731 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.084 -15.513 7.417 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.665 -14.324 8.981 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.446 -14.875 6.351 1.00 16.66 C ATOM 934 CE2 PHE A 63 -6.024 -13.686 7.914 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.416 -13.962 6.597 1.00 16.66 C ATOM 0 H PHE A 63 -9.444 -17.568 11.438 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.811 -17.674 8.691 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.422 -15.610 9.943 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.904 -15.679 10.817 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.878 -16.220 7.226 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.365 -14.112 9.997 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.748 -15.087 5.336 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.228 -12.982 8.105 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.923 -13.469 5.772 1.00 16.66 H new ATOM 945 N GLN A 64 -6.230 -17.981 10.714 1.00 16.66 N ATOM 946 CA GLN A 64 -4.808 -18.407 10.748 1.00 16.66 C ATOM 947 C GLN A 64 -4.694 -19.829 10.189 1.00 16.66 C ATOM 948 O GLN A 64 -3.825 -20.128 9.395 1.00 16.66 O ATOM 949 CB GLN A 64 -4.322 -18.387 12.196 1.00 16.66 C ATOM 950 CG GLN A 64 -2.809 -18.608 12.233 1.00 16.66 C ATOM 951 CD GLN A 64 -2.100 -17.386 11.645 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.390 -16.266 12.013 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.175 -17.557 10.740 1.00 50.00 N ATOM 0 H GLN A 64 -6.645 -17.786 11.625 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.200 -17.732 10.146 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.572 -17.433 12.661 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.827 -19.163 12.770 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.480 -18.774 13.259 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.547 -19.501 11.666 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -0.932 -18.498 10.431 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.696 -16.750 10.342 1.00 50.00 H new ATOM 962 N GLU A 65 -5.572 -20.704 10.598 1.00 16.66 N ATOM 963 CA GLU A 65 -5.527 -22.105 10.096 1.00 16.66 C ATOM 964 C GLU A 65 -5.745 -22.103 8.584 1.00 16.66 C ATOM 965 O GLU A 65 -5.028 -22.744 7.840 1.00 16.66 O ATOM 966 CB GLU A 65 -6.639 -22.916 10.760 1.00 16.66 C ATOM 967 CG GLU A 65 -6.153 -23.468 12.102 1.00 16.66 C ATOM 968 CD GLU A 65 -7.287 -24.253 12.776 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.426 -24.024 12.436 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.998 -25.067 13.623 1.00 16.66 O ATOM 0 H GLU A 65 -6.321 -20.507 11.261 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.559 -22.547 10.330 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.517 -22.288 10.912 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.942 -23.736 10.108 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.289 -24.115 11.949 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.829 -22.651 12.747 1.00 16.66 H new ATOM 977 N PHE A 66 -6.735 -21.392 8.126 1.00 16.66 N ATOM 978 CA PHE A 66 -7.010 -21.349 6.665 1.00 16.66 C ATOM 979 C PHE A 66 -5.813 -20.732 5.944 1.00 16.66 C ATOM 980 O PHE A 66 -5.461 -21.127 4.849 1.00 16.66 O ATOM 981 CB PHE A 66 -8.258 -20.505 6.407 1.00 16.66 C ATOM 982 CG PHE A 66 -8.605 -20.554 4.938 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.977 -19.681 4.042 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.555 -21.472 4.473 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.299 -19.725 2.680 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.876 -21.516 3.111 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.249 -20.643 2.214 1.00 16.66 C ATOM 0 H PHE A 66 -7.368 -20.837 8.702 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.176 -22.360 6.293 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.092 -20.879 7.001 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -8.083 -19.474 6.716 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.244 -18.974 4.401 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -10.040 -22.145 5.165 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.815 -19.051 1.989 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.608 -22.224 2.752 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.498 -20.677 1.164 1.00 16.66 H new ATOM 997 N THR A 67 -5.182 -19.768 6.550 1.00 16.66 N ATOM 998 CA THR A 67 -4.005 -19.126 5.904 1.00 16.66 C ATOM 999 C THR A 67 -2.852 -20.130 5.851 1.00 16.66 C ATOM 1000 O THR A 67 -2.213 -20.304 4.830 1.00 16.66 O ATOM 1001 CB THR A 67 -3.581 -17.902 6.717 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.592 -16.906 6.632 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.268 -17.348 6.160 1.00 50.00 C ATOM 0 H THR A 67 -5.431 -19.396 7.467 1.00 16.66 H new ATOM 0 HA THR A 67 -4.266 -18.814 4.893 1.00 16.66 H new ATOM 0 HB THR A 67 -3.439 -18.188 7.759 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.329 -17.136 7.236 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.966 -16.476 6.740 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.494 -18.113 6.225 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.407 -17.061 5.118 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.581 -20.795 6.940 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.471 -21.789 6.948 1.00 25.00 C ATOM 1013 C ASP A 68 -1.744 -22.860 5.892 1.00 25.00 C ATOM 1014 O ASP A 68 -0.844 -23.345 5.236 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.380 -22.443 8.329 1.00 25.00 C ATOM 1016 CG ASP A 68 -1.019 -21.382 9.372 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.687 -20.278 8.975 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.082 -21.694 10.551 1.00 50.00 O ATOM 0 H ASP A 68 -3.080 -20.693 7.824 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.530 -21.287 6.724 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.330 -22.912 8.585 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.628 -23.232 8.321 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.984 -23.229 5.719 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.323 -24.260 4.706 1.00 25.00 C ATOM 1025 C PHE A 69 -3.291 -23.608 3.319 1.00 25.00 C ATOM 1026 O PHE A 69 -2.881 -24.210 2.347 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.720 -24.824 5.032 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.476 -25.147 3.767 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.020 -24.111 3.006 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.628 -26.475 3.359 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.719 -24.401 1.829 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.326 -26.768 2.183 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.872 -25.730 1.416 1.00 50.00 C ATOM 0 H PHE A 69 -3.778 -22.857 6.240 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.607 -25.082 4.718 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.621 -25.722 5.641 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.281 -24.099 5.621 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.901 -23.086 3.325 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.207 -27.274 3.951 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.140 -23.600 1.239 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.444 -27.794 1.866 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.410 -25.955 0.507 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.715 -22.378 3.226 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.704 -21.683 1.908 1.00 16.66 C ATOM 1045 C GLY A 70 -2.275 -21.669 1.361 1.00 16.66 C ATOM 1046 O GLY A 70 -2.056 -21.690 0.167 1.00 16.66 O ATOM 0 H GLY A 70 -4.069 -21.824 4.006 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.369 -22.191 1.210 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.075 -20.664 2.017 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.302 -21.641 2.230 1.00 25.00 N ATOM 1051 CA ARG A 71 0.113 -21.635 1.762 1.00 25.00 C ATOM 1052 C ARG A 71 0.437 -22.995 1.146 1.00 25.00 C ATOM 1053 O ARG A 71 1.240 -23.105 0.241 1.00 25.00 O ATOM 1054 CB ARG A 71 1.044 -21.378 2.949 1.00 50.00 C ATOM 1055 CG ARG A 71 0.749 -20.000 3.543 1.00 50.00 C ATOM 1056 CD ARG A 71 1.706 -19.729 4.706 1.00 50.00 C ATOM 1057 NE ARG A 71 1.538 -20.782 5.746 1.00 50.00 N ATOM 1058 CZ ARG A 71 1.867 -20.535 6.985 1.00 50.00 C ATOM 1059 NH1 ARG A 71 2.824 -21.216 7.555 1.00 50.00 N ATOM 1060 NH2 ARG A 71 1.241 -19.606 7.654 1.00 50.00 N ATOM 0 H ARG A 71 -1.425 -21.622 3.242 1.00 25.00 H new ATOM 0 HA ARG A 71 0.252 -20.849 1.019 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.905 -22.149 3.707 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.084 -21.431 2.627 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.862 -19.231 2.779 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.283 -19.955 3.890 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.736 -19.718 4.348 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.506 -18.746 5.133 1.00 50.00 H new ATOM 0 HE ARG A 71 1.166 -21.696 5.490 1.00 50.00 H new ATOM 0 HH11 ARG A 71 3.315 -21.941 7.032 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.081 -21.023 8.523 1.00 50.00 H new ATOM 0 HH21 ARG A 71 0.494 -19.072 7.209 1.00 50.00 H new ATOM 0 HH22 ARG A 71 1.498 -19.413 8.622 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.189 -24.032 1.630 1.00 25.00 N ATOM 1075 CA ALA A 72 0.071 -25.389 1.077 1.00 25.00 C ATOM 1076 C ALA A 72 -0.504 -25.476 -0.338 1.00 25.00 C ATOM 1077 O ALA A 72 -0.102 -26.303 -1.133 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.602 -26.435 1.967 1.00 50.00 C ATOM 0 H ALA A 72 -0.872 -23.997 2.387 1.00 25.00 H new ATOM 0 HA ALA A 72 1.145 -25.574 1.046 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.414 -27.430 1.565 1.00 50.00 H new ATOM 0 HB2 ALA A 72 -0.197 -26.369 2.977 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.676 -26.252 1.995 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.442 -24.628 -0.656 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.045 -24.654 -2.017 1.00 25.00 C ATOM 1086 C ASN A 73 -2.508 -23.244 -2.389 1.00 25.00 C ATOM 1087 O ASN A 73 -3.662 -23.017 -2.691 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.242 -25.605 -2.028 1.00 25.00 C ATOM 1089 CG ASN A 73 -2.955 -26.796 -1.114 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.129 -27.631 -1.425 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.606 -26.912 0.011 1.00 50.00 N ATOM 0 H ASN A 73 -1.818 -23.916 -0.030 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.305 -24.999 -2.739 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.138 -25.083 -1.692 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.436 -25.951 -3.043 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.421 -27.703 0.628 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.300 -26.212 0.273 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.614 -22.294 -2.367 1.00 25.00 N ATOM 1099 CA ARG A 74 -1.999 -20.900 -2.717 1.00 25.00 C ATOM 1100 C ARG A 74 -2.776 -20.920 -4.028 1.00 25.00 C ATOM 1101 O ARG A 74 -3.719 -20.179 -4.220 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.740 -20.047 -2.880 1.00 25.00 C ATOM 1103 CG ARG A 74 0.198 -20.711 -3.890 1.00 25.00 C ATOM 1104 CD ARG A 74 1.565 -20.026 -3.844 1.00 25.00 C ATOM 1105 NE ARG A 74 2.358 -20.576 -2.709 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.402 -21.323 -2.946 1.00 50.00 C ATOM 1107 NH1 ARG A 74 4.594 -20.901 -2.621 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.255 -22.491 -3.508 1.00 50.00 N ATOM 0 H ARG A 74 -0.633 -22.424 -2.121 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.618 -20.476 -1.926 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -1.007 -19.046 -3.219 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.237 -19.935 -1.920 1.00 25.00 H new ATOM 0 HG2 ARG A 74 0.303 -21.772 -3.662 1.00 25.00 H new ATOM 0 HG3 ARG A 74 -0.222 -20.641 -4.893 1.00 25.00 H new ATOM 0 HD2 ARG A 74 2.095 -20.185 -4.783 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.441 -18.949 -3.727 1.00 25.00 H new ATOM 0 HE ARG A 74 2.086 -20.369 -1.748 1.00 25.00 H new ATOM 0 HH11 ARG A 74 4.710 -19.988 -2.182 1.00 50.00 H new ATOM 0 HH12 ARG A 74 5.410 -21.485 -2.806 1.00 50.00 H new ATOM 0 HH21 ARG A 74 2.324 -22.821 -3.762 1.00 50.00 H new ATOM 0 HH22 ARG A 74 4.071 -23.074 -3.693 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.385 -21.774 -4.928 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.093 -21.862 -6.231 1.00 25.00 C ATOM 1124 C GLY A 75 -4.556 -22.235 -5.987 1.00 25.00 C ATOM 1125 O GLY A 75 -5.437 -21.861 -6.735 1.00 25.00 O ATOM 0 H GLY A 75 -1.602 -22.418 -4.816 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.031 -20.909 -6.756 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.617 -22.608 -6.867 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.819 -22.972 -4.943 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.224 -23.372 -4.645 1.00 25.00 C ATOM 1131 C LEU A 76 -7.028 -22.140 -4.232 1.00 25.00 C ATOM 1132 O LEU A 76 -8.138 -21.930 -4.681 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.233 -24.392 -3.506 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.802 -25.760 -4.037 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.838 -26.784 -2.900 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.756 -26.200 -5.150 1.00 50.00 C ATOM 0 H LEU A 76 -4.121 -23.315 -4.283 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.671 -23.816 -5.534 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.559 -24.071 -2.712 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.230 -24.457 -3.071 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.789 -25.692 -4.433 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.531 -27.759 -3.279 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.158 -26.472 -2.107 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.851 -26.852 -2.503 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.449 -27.175 -5.528 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.770 -26.267 -4.755 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.730 -25.472 -5.961 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.478 -21.328 -3.375 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.208 -20.110 -2.924 1.00 25.00 C ATOM 1150 C LEU A 77 -7.400 -19.157 -4.106 1.00 25.00 C ATOM 1151 O LEU A 77 -8.247 -18.285 -4.080 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.401 -19.407 -1.829 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.050 -20.411 -0.729 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.518 -19.661 0.494 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.301 -21.200 -0.337 1.00 50.00 C ATOM 0 H LEU A 77 -5.552 -21.455 -2.966 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.183 -20.399 -2.531 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.491 -18.980 -2.250 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.977 -18.581 -1.412 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.288 -21.098 -1.096 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.268 -20.375 1.278 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.626 -19.099 0.217 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.281 -18.974 0.859 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -7.050 -21.915 0.447 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -8.064 -20.513 0.029 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.682 -21.735 -1.207 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.623 -19.313 -5.143 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.768 -18.412 -6.322 1.00 25.00 C ATOM 1169 C LYS A 78 -7.952 -18.873 -7.174 1.00 25.00 C ATOM 1170 O LYS A 78 -8.504 -18.117 -7.950 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.487 -18.457 -7.159 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.330 -17.867 -6.351 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.212 -17.434 -7.303 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.670 -18.657 -8.044 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.347 -19.038 -7.474 1.00 50.00 N ATOM 0 H LYS A 78 -5.896 -20.023 -5.225 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.943 -17.392 -5.981 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.260 -19.485 -7.442 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.623 -17.895 -8.083 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.677 -17.014 -5.768 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.954 -18.605 -5.642 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.591 -16.702 -8.016 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.411 -16.950 -6.744 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -3.369 -19.489 -7.955 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -2.570 -18.437 -9.107 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -0.978 -19.870 -7.978 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -0.682 -18.246 -7.581 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.456 -19.265 -6.465 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.349 -20.107 -7.035 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.497 -20.619 -7.834 1.00 25.00 C ATOM 1191 C ASP A 79 -10.800 -20.341 -7.085 1.00 25.00 C ATOM 1192 O ASP A 79 -11.799 -19.965 -7.666 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.340 -22.125 -8.035 1.00 25.00 C ATOM 1194 CG ASP A 79 -8.514 -22.392 -9.295 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -8.208 -21.438 -9.991 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -8.202 -23.545 -9.541 1.00 50.00 O ATOM 0 H ASP A 79 -7.927 -20.785 -6.401 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.520 -20.121 -8.803 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.852 -22.569 -7.167 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -10.320 -22.594 -8.124 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.792 -20.525 -5.796 1.00 25.00 N ATOM 1202 CA VAL A 80 -12.022 -20.277 -4.994 1.00 25.00 C ATOM 1203 C VAL A 80 -12.276 -18.772 -4.909 1.00 25.00 C ATOM 1204 O VAL A 80 -13.398 -18.310 -4.961 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.824 -20.858 -3.588 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -11.097 -19.852 -2.685 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -13.185 -21.198 -2.978 1.00 50.00 C ATOM 0 H VAL A 80 -9.983 -20.838 -5.260 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.880 -20.755 -5.466 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.218 -21.761 -3.666 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.966 -20.283 -1.692 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -10.121 -19.619 -3.111 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.687 -18.939 -2.609 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -13.043 -21.611 -1.979 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.791 -20.294 -2.915 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.692 -21.932 -3.605 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.230 -18.011 -4.776 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.385 -16.531 -4.682 1.00 25.00 C ATOM 1219 C ALA A 81 -12.065 -16.002 -5.947 1.00 25.00 C ATOM 1220 O ALA A 81 -12.536 -14.883 -5.987 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.009 -15.883 -4.537 1.00 50.00 C ATOM 0 H ALA A 81 -10.269 -18.349 -4.728 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.997 -16.288 -3.814 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.122 -14.801 -4.468 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.525 -16.255 -3.634 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.397 -16.130 -5.405 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.124 -16.797 -6.980 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.777 -16.335 -8.237 1.00 25.00 C ATOM 1229 C LYS A 82 -14.207 -16.870 -8.283 1.00 25.00 C ATOM 1230 O LYS A 82 -15.094 -16.256 -8.843 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.996 -16.861 -9.442 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.576 -16.295 -9.414 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.932 -16.469 -10.791 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.477 -15.997 -10.737 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.639 -17.043 -10.087 1.00 50.00 N ATOM 0 H LYS A 82 -11.749 -17.745 -7.008 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.791 -15.245 -8.265 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.965 -17.950 -9.422 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.496 -16.573 -10.367 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.599 -15.240 -9.142 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.983 -16.807 -8.656 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.975 -17.515 -11.095 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.484 -15.897 -11.537 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.111 -15.797 -11.744 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.407 -15.062 -10.181 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.849 -16.591 -9.583 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.218 -17.581 -9.411 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -7.264 -17.688 -10.812 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.436 -18.010 -7.696 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.807 -18.589 -7.700 1.00 25.00 C ATOM 1251 C ILE A 83 -16.784 -17.578 -7.101 1.00 25.00 C ATOM 1252 O ILE A 83 -17.945 -17.533 -7.457 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.819 -19.868 -6.863 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.956 -20.933 -7.547 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.257 -20.372 -6.728 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -15.251 -22.308 -6.941 1.00 50.00 C ATOM 0 H ILE A 83 -13.731 -18.567 -7.213 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.104 -18.821 -8.723 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.415 -19.662 -5.872 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -15.159 -20.946 -8.618 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.900 -20.691 -7.426 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.268 -21.284 -6.131 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.865 -19.611 -6.239 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.664 -20.581 -7.717 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.635 -23.062 -7.431 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -15.025 -22.292 -5.875 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.304 -22.551 -7.085 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.320 -16.764 -6.195 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.217 -15.751 -5.571 1.00 25.00 C ATOM 1270 C PHE A 84 -17.007 -14.396 -6.250 1.00 25.00 C ATOM 1271 O PHE A 84 -17.392 -14.267 -7.401 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.890 -15.630 -4.081 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.182 -16.943 -3.396 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.197 -17.936 -3.336 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.438 -17.169 -2.821 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.468 -19.154 -2.700 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.710 -18.387 -2.186 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.724 -19.380 -2.125 1.00 50.00 C ATOM 1279 OXT PHE A 84 -16.464 -13.511 -5.609 1.00 99.99 O ATOM 0 H PHE A 84 -15.357 -16.756 -5.859 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.255 -16.061 -5.692 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.842 -15.363 -3.948 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.482 -14.833 -3.631 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.228 -17.763 -3.780 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -19.198 -16.403 -2.867 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.707 -19.919 -2.653 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.680 -18.561 -1.743 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.933 -20.319 -1.635 1.00 50.00 H new