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+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.59! C(o=-3.6!,f=-7.7!) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 0.0116 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -147:sc= -0.0773 (180deg=-0.602) USER MOD Single : A 37 THR OG1 : rot 140:sc= -1.94! USER MOD Single : A 40 SER OG : rot 44:sc= 0.00322 USER MOD Single : A 42 THR OG1 : rot -140:sc= 0.0839 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc=-0.000828 X(o=-0.00083,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 146:sc= -7.22! (180deg=-10.6!) USER MOD Single : A 55 THR OG1 : rot -28:sc= -2.82! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.24) USER MOD Single : A 67 THR OG1 : rot 79:sc= 0.408 USER MOD Single : A 73 ASN : amide:sc= -5.5! C(o=-5.5!,f=-8.1!) 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 -1.364 -10.504 -0.048 1.00 16.66 N ATOM 86 CA ASP A 7 -1.990 -11.847 -0.200 1.00 16.66 C ATOM 87 C ASP A 7 -2.974 -12.082 0.944 1.00 16.66 C ATOM 88 O ASP A 7 -4.111 -12.459 0.733 1.00 16.66 O ATOM 89 CB ASP A 7 -0.904 -12.923 -0.172 1.00 16.66 C ATOM 90 CG ASP A 7 -0.079 -12.852 -1.458 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.540 -12.227 -2.400 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.999 -13.423 -1.480 1.00 50.00 O ATOM 0 HA ASP A 7 -2.521 -11.895 -1.150 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.258 -12.780 0.695 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.357 -13.909 -0.073 1.00 16.66 H new ATOM 97 N LYS A 8 -2.547 -11.862 2.153 1.00 16.66 N ATOM 98 CA LYS A 8 -3.454 -12.070 3.316 1.00 16.66 C ATOM 99 C LYS A 8 -4.789 -11.378 3.047 1.00 16.66 C ATOM 100 O LYS A 8 -5.839 -11.865 3.415 1.00 16.66 O ATOM 101 CB LYS A 8 -2.817 -11.479 4.572 1.00 16.66 C ATOM 102 CG LYS A 8 -1.910 -12.527 5.218 1.00 16.66 C ATOM 103 CD LYS A 8 -1.718 -12.193 6.699 1.00 16.66 C ATOM 104 CE LYS A 8 -0.633 -13.097 7.287 1.00 50.00 C ATOM 105 NZ LYS A 8 0.506 -12.263 7.764 1.00 50.00 N ATOM 0 H LYS A 8 -1.606 -11.546 2.388 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.620 -13.137 3.463 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.241 -10.589 4.318 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.590 -11.168 5.274 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.350 -13.519 5.112 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.945 -12.550 4.711 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.436 -11.146 6.814 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.655 -12.332 7.239 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -1.040 -13.681 8.112 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.288 -13.806 6.534 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.243 -12.878 8.164 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.900 -11.724 6.966 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.171 -11.604 8.495 1.00 50.00 H new ATOM 119 N ALA A 9 -4.757 -10.247 2.401 1.00 16.66 N ATOM 120 CA ALA A 9 -6.024 -9.529 2.103 1.00 16.66 C ATOM 121 C ALA A 9 -6.943 -10.466 1.328 1.00 16.66 C ATOM 122 O ALA A 9 -8.118 -10.583 1.611 1.00 16.66 O ATOM 123 CB ALA A 9 -5.727 -8.286 1.263 1.00 16.66 C ATOM 0 H ALA A 9 -3.909 -9.790 2.067 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.504 -9.220 3.031 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.658 -7.762 1.046 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.059 -7.625 1.815 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.252 -8.584 0.328 1.00 16.66 H new ATOM 129 N GLU A 10 -6.408 -11.143 0.353 1.00 16.66 N ATOM 130 CA GLU A 10 -7.239 -12.088 -0.442 1.00 16.66 C ATOM 131 C GLU A 10 -7.640 -13.265 0.447 1.00 16.66 C ATOM 132 O GLU A 10 -8.746 -13.760 0.381 1.00 16.66 O ATOM 133 CB GLU A 10 -6.434 -12.599 -1.638 1.00 16.66 C ATOM 134 CG GLU A 10 -5.828 -11.413 -2.390 1.00 16.66 C ATOM 135 CD GLU A 10 -5.054 -11.923 -3.609 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.701 -13.090 -3.615 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.828 -11.136 -4.514 1.00 16.66 O ATOM 0 H GLU A 10 -5.429 -11.083 0.071 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.132 -11.578 -0.804 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.645 -13.270 -1.299 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.077 -13.175 -2.303 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.615 -10.728 -2.706 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.163 -10.853 -1.732 1.00 16.66 H new ATOM 144 N ARG A 11 -6.746 -13.710 1.284 1.00 16.66 N ATOM 145 CA ARG A 11 -7.064 -14.850 2.186 1.00 16.66 C ATOM 146 C ARG A 11 -8.120 -14.414 3.202 1.00 16.66 C ATOM 147 O ARG A 11 -9.034 -15.147 3.522 1.00 16.66 O ATOM 148 CB ARG A 11 -5.797 -15.273 2.927 1.00 16.66 C ATOM 149 CG ARG A 11 -4.824 -15.922 1.943 1.00 16.66 C ATOM 150 CD ARG A 11 -3.845 -16.815 2.705 1.00 50.00 C ATOM 151 NE ARG A 11 -2.574 -16.919 1.938 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.301 -18.007 1.271 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.329 -18.785 1.661 1.00 50.00 N ATOM 154 NH2 ARG A 11 -3.001 -18.317 0.215 1.00 50.00 N ATOM 0 H ARG A 11 -5.804 -13.331 1.382 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.445 -15.686 1.599 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.332 -14.407 3.397 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -6.046 -15.973 3.724 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.373 -16.511 1.208 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.280 -15.154 1.394 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.653 -16.401 3.695 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.277 -17.805 2.852 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.916 -16.140 1.934 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -0.782 -18.543 2.487 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -1.116 -19.635 1.140 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -3.761 -17.709 -0.089 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -2.788 -19.167 -0.307 1.00 50.00 H new ATOM 168 N GLU A 12 -7.998 -13.221 3.707 1.00 16.66 N ATOM 169 CA GLU A 12 -8.986 -12.720 4.700 1.00 16.66 C ATOM 170 C GLU A 12 -10.355 -12.594 4.033 1.00 16.66 C ATOM 171 O GLU A 12 -11.372 -12.927 4.609 1.00 16.66 O ATOM 172 CB GLU A 12 -8.538 -11.351 5.213 1.00 16.66 C ATOM 173 CG GLU A 12 -7.571 -11.533 6.382 1.00 16.66 C ATOM 174 CD GLU A 12 -7.436 -10.213 7.143 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.173 -9.293 6.828 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.597 -10.143 8.027 1.00 50.00 O ATOM 0 H GLU A 12 -7.251 -12.567 3.473 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.053 -13.417 5.535 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -8.055 -10.792 4.412 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.403 -10.770 5.531 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.934 -12.314 7.050 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.596 -11.855 6.015 1.00 16.66 H new ATOM 183 N ARG A 13 -10.389 -12.117 2.821 1.00 16.66 N ATOM 184 CA ARG A 13 -11.692 -11.973 2.114 1.00 16.66 C ATOM 185 C ARG A 13 -12.254 -13.360 1.812 1.00 16.66 C ATOM 186 O ARG A 13 -13.440 -13.601 1.929 1.00 16.66 O ATOM 187 CB ARG A 13 -11.484 -11.205 0.808 1.00 16.66 C ATOM 188 CG ARG A 13 -10.910 -9.823 1.119 1.00 16.66 C ATOM 189 CD ARG A 13 -10.390 -9.184 -0.170 1.00 16.66 C ATOM 190 NE ARG A 13 -11.525 -8.560 -0.908 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.314 -7.978 -2.058 1.00 50.00 C ATOM 192 NH1 ARG A 13 -10.271 -8.302 -2.771 1.00 50.00 N ATOM 193 NH2 ARG A 13 -12.148 -7.073 -2.493 1.00 50.00 N ATOM 0 H ARG A 13 -9.571 -11.820 2.289 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.393 -11.425 2.743 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.806 -11.754 0.154 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.430 -11.107 0.276 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.677 -9.191 1.567 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.103 -9.908 1.846 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.636 -8.432 0.063 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.907 -9.937 -0.793 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.466 -8.588 -0.515 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -9.620 -9.010 -2.430 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -10.106 -7.848 -3.669 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -12.964 -6.821 -1.935 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -11.984 -6.618 -3.391 1.00 50.00 H new ATOM 207 N ILE A 14 -11.411 -14.275 1.434 1.00 16.66 N ATOM 208 CA ILE A 14 -11.888 -15.651 1.135 1.00 16.66 C ATOM 209 C ILE A 14 -12.288 -16.334 2.442 1.00 16.66 C ATOM 210 O ILE A 14 -13.327 -16.960 2.535 1.00 16.66 O ATOM 211 CB ILE A 14 -10.764 -16.440 0.463 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.317 -15.706 -0.802 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.269 -17.836 0.094 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.892 -16.128 -1.165 1.00 50.00 C ATOM 0 H ILE A 14 -10.408 -14.129 1.319 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.748 -15.610 0.467 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.921 -16.531 1.148 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.995 -15.933 -1.625 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.358 -14.628 -0.643 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.467 -18.398 -0.385 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.589 -18.357 0.996 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.111 -17.749 -0.592 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.576 -15.604 -2.067 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.219 -15.878 -0.345 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.865 -17.203 -1.342 1.00 50.00 H new ATOM 226 N PHE A 15 -11.478 -16.213 3.460 1.00 16.66 N ATOM 227 CA PHE A 15 -11.826 -16.850 4.758 1.00 16.66 C ATOM 228 C PHE A 15 -13.086 -16.188 5.312 1.00 16.66 C ATOM 229 O PHE A 15 -13.924 -16.829 5.915 1.00 16.66 O ATOM 230 CB PHE A 15 -10.676 -16.676 5.752 1.00 16.66 C ATOM 231 CG PHE A 15 -11.055 -17.335 7.059 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.755 -18.687 7.271 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.712 -16.600 8.053 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.112 -19.304 8.476 1.00 16.66 C ATOM 235 CE2 PHE A 15 -12.071 -17.218 9.258 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.771 -18.570 9.470 1.00 16.66 C ATOM 0 H PHE A 15 -10.595 -15.703 3.447 1.00 16.66 H new ATOM 0 HA PHE A 15 -12.001 -17.915 4.606 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.764 -17.122 5.355 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.471 -15.617 5.909 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.248 -19.254 6.504 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.942 -15.557 7.891 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.879 -20.346 8.639 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.579 -16.652 10.024 1.00 16.66 H new ATOM 0 HZ PHE A 15 -12.048 -19.046 10.399 1.00 16.66 H new ATOM 246 N LYS A 16 -13.230 -14.909 5.106 1.00 16.66 N ATOM 247 CA LYS A 16 -14.441 -14.207 5.612 1.00 16.66 C ATOM 248 C LYS A 16 -15.666 -14.722 4.856 1.00 16.66 C ATOM 249 O LYS A 16 -16.763 -14.751 5.376 1.00 16.66 O ATOM 250 CB LYS A 16 -14.294 -12.700 5.384 1.00 50.00 C ATOM 251 CG LYS A 16 -13.462 -12.093 6.515 1.00 50.00 C ATOM 252 CD LYS A 16 -13.353 -10.580 6.314 1.00 50.00 C ATOM 253 CE LYS A 16 -12.308 -10.011 7.275 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.986 -9.504 8.502 1.00 50.00 N ATOM 0 H LYS A 16 -12.562 -14.320 4.609 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.559 -14.398 6.679 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.814 -12.512 4.424 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.276 -12.229 5.347 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.925 -12.310 7.478 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.468 -12.541 6.530 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -13.074 -10.359 5.284 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.320 -10.109 6.491 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.583 -10.781 7.539 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.755 -9.205 6.793 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -12.276 -9.117 9.156 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.661 -8.757 8.242 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.494 -10.284 8.965 1.00 50.00 H new ATOM 268 N ARG A 17 -15.483 -15.138 3.632 1.00 16.66 N ATOM 269 CA ARG A 17 -16.632 -15.662 2.844 1.00 16.66 C ATOM 270 C ARG A 17 -17.063 -17.008 3.427 1.00 16.66 C ATOM 271 O ARG A 17 -18.233 -17.332 3.475 1.00 16.66 O ATOM 272 CB ARG A 17 -16.212 -15.846 1.386 1.00 16.66 C ATOM 273 CG ARG A 17 -16.176 -14.484 0.690 1.00 16.66 C ATOM 274 CD ARG A 17 -16.248 -14.682 -0.825 1.00 50.00 C ATOM 275 NE ARG A 17 -15.862 -13.416 -1.509 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.802 -13.383 -2.270 1.00 50.00 C ATOM 277 NH1 ARG A 17 -13.644 -13.754 -1.796 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.901 -12.979 -3.508 1.00 50.00 N ATOM 0 H ARG A 17 -14.587 -15.137 3.145 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.462 -14.958 2.891 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.231 -16.318 1.336 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.911 -16.509 0.876 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.011 -13.870 1.027 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.262 -13.953 0.955 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.583 -15.490 -1.129 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.257 -14.973 -1.117 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.426 -12.575 -1.383 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.566 -14.070 -0.829 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -12.817 -13.728 -2.392 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.806 -12.690 -3.879 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -14.073 -12.953 -4.104 1.00 50.00 H new ATOM 292 N PHE A 18 -16.121 -17.792 3.873 1.00 16.66 N ATOM 293 CA PHE A 18 -16.471 -19.117 4.458 1.00 16.66 C ATOM 294 C PHE A 18 -17.169 -18.909 5.801 1.00 16.66 C ATOM 295 O PHE A 18 -18.234 -19.439 6.047 1.00 16.66 O ATOM 296 CB PHE A 18 -15.197 -19.939 4.663 1.00 16.66 C ATOM 297 CG PHE A 18 -14.736 -20.495 3.336 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.360 -21.628 2.798 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.687 -19.879 2.645 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.933 -22.144 1.569 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.259 -20.395 1.415 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.882 -21.528 0.877 1.00 16.66 C ATOM 0 H PHE A 18 -15.125 -17.573 3.858 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.138 -19.650 3.780 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.416 -19.316 5.099 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.385 -20.752 5.364 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.170 -22.103 3.331 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.207 -19.005 3.060 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.414 -23.017 1.154 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.449 -19.919 0.882 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.552 -21.927 -0.071 1.00 16.66 H new ATOM 312 N ASP A 19 -16.581 -18.135 6.669 1.00 16.66 N ATOM 313 CA ASP A 19 -17.218 -17.887 7.993 1.00 16.66 C ATOM 314 C ASP A 19 -18.632 -17.345 7.765 1.00 16.66 C ATOM 315 O ASP A 19 -18.817 -16.197 7.414 1.00 16.66 O ATOM 316 CB ASP A 19 -16.384 -16.869 8.778 1.00 16.66 C ATOM 317 CG ASP A 19 -16.653 -17.040 10.269 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.434 -17.908 10.605 1.00 16.66 O ATOM 319 OD2 ASP A 19 -16.067 -16.307 11.049 1.00 16.66 O ATOM 0 H ASP A 19 -15.689 -17.664 6.520 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.271 -18.814 8.564 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.324 -17.012 8.569 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.637 -15.856 8.465 1.00 16.66 H new ATOM 324 N ALA A 20 -19.631 -18.172 7.937 1.00 16.66 N ATOM 325 CA ALA A 20 -21.035 -17.719 7.702 1.00 16.66 C ATOM 326 C ALA A 20 -21.469 -16.692 8.753 1.00 16.66 C ATOM 327 O ALA A 20 -21.968 -15.636 8.421 1.00 16.66 O ATOM 328 CB ALA A 20 -21.969 -18.929 7.765 1.00 50.00 C ATOM 0 H ALA A 20 -19.535 -19.144 8.231 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.086 -17.248 6.720 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.996 -18.605 7.594 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.683 -19.649 6.998 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.894 -19.396 8.747 1.00 50.00 H new ATOM 334 N ASN A 21 -21.301 -16.984 10.016 1.00 16.66 N ATOM 335 CA ASN A 21 -21.731 -16.001 11.052 1.00 16.66 C ATOM 336 C ASN A 21 -20.598 -15.009 11.324 1.00 16.66 C ATOM 337 O ASN A 21 -20.831 -13.870 11.680 1.00 16.66 O ATOM 338 CB ASN A 21 -22.132 -16.732 12.341 1.00 16.66 C ATOM 339 CG ASN A 21 -20.922 -17.414 12.987 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.985 -17.785 12.307 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.937 -17.592 14.279 1.00 16.66 N ATOM 0 H ASN A 21 -20.891 -17.848 10.371 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.598 -15.451 10.687 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.572 -16.023 13.043 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.897 -17.476 12.118 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -20.151 -18.051 14.740 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.734 -17.272 14.829 1.00 16.66 H new ATOM 348 N GLY A 22 -19.378 -15.423 11.140 1.00 16.66 N ATOM 349 CA GLY A 22 -18.237 -14.491 11.368 1.00 16.66 C ATOM 350 C GLY A 22 -17.765 -14.579 12.819 1.00 16.66 C ATOM 351 O GLY A 22 -17.381 -13.593 13.415 1.00 16.66 O ATOM 0 H GLY A 22 -19.120 -16.364 10.842 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.416 -14.738 10.695 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.541 -13.470 11.138 1.00 16.66 H new ATOM 355 N ASP A 23 -17.771 -15.751 13.389 1.00 16.66 N ATOM 356 CA ASP A 23 -17.301 -15.885 14.798 1.00 16.66 C ATOM 357 C ASP A 23 -15.801 -16.202 14.800 1.00 16.66 C ATOM 358 O ASP A 23 -15.209 -16.438 15.834 1.00 16.66 O ATOM 359 CB ASP A 23 -18.078 -16.992 15.519 1.00 16.66 C ATOM 360 CG ASP A 23 -17.898 -18.328 14.797 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.444 -18.316 13.668 1.00 16.66 O ATOM 362 OD2 ASP A 23 -18.230 -19.344 15.385 1.00 16.66 O ATOM 0 H ASP A 23 -18.078 -16.617 12.945 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.476 -14.948 15.326 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.730 -17.078 16.548 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -19.136 -16.734 15.561 1.00 16.66 H new ATOM 367 N GLY A 24 -15.181 -16.191 13.648 1.00 16.66 N ATOM 368 CA GLY A 24 -13.717 -16.471 13.580 1.00 16.66 C ATOM 369 C GLY A 24 -13.470 -17.958 13.318 1.00 16.66 C ATOM 370 O GLY A 24 -12.347 -18.381 13.127 1.00 16.66 O ATOM 0 H GLY A 24 -15.627 -16.000 12.751 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.263 -15.875 12.788 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.240 -16.176 14.515 1.00 16.66 H new ATOM 374 N LYS A 25 -14.499 -18.761 13.318 1.00 16.66 N ATOM 375 CA LYS A 25 -14.298 -20.219 13.080 1.00 16.66 C ATOM 376 C LYS A 25 -15.283 -20.717 12.020 1.00 16.66 C ATOM 377 O LYS A 25 -16.431 -20.302 11.966 1.00 16.66 O ATOM 378 CB LYS A 25 -14.519 -20.984 14.390 1.00 50.00 C ATOM 379 CG LYS A 25 -16.000 -20.942 14.766 1.00 50.00 C ATOM 380 CD LYS A 25 -16.269 -21.959 15.877 1.00 50.00 C ATOM 381 CE LYS A 25 -17.751 -22.344 15.869 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.179 -22.693 17.254 1.00 50.00 N ATOM 0 H LYS A 25 -15.465 -18.473 13.472 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.281 -20.388 12.726 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.191 -22.018 14.279 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.919 -20.543 15.186 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.274 -19.941 15.099 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.615 -21.167 13.895 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.651 -22.845 15.731 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.997 -21.537 16.845 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -18.351 -21.517 15.489 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.915 -23.190 15.202 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.211 -22.591 17.335 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.911 -23.676 17.463 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.714 -22.056 17.932 1.00 50.00 H new ATOM 396 N ILE A 26 -14.838 -21.615 11.180 1.00 16.66 N ATOM 397 CA ILE A 26 -15.728 -22.162 10.118 1.00 16.66 C ATOM 398 C ILE A 26 -16.013 -23.638 10.401 1.00 16.66 C ATOM 399 O ILE A 26 -15.123 -24.410 10.696 1.00 16.66 O ATOM 400 CB ILE A 26 -15.039 -22.034 8.760 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.336 -20.679 8.668 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.082 -22.144 7.647 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.746 -20.511 7.269 1.00 16.66 C ATOM 0 H ILE A 26 -13.891 -21.994 11.186 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.664 -21.604 10.108 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.304 -22.831 8.650 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.042 -19.875 8.877 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.548 -20.614 9.418 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.591 -22.053 6.678 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.582 -23.111 7.711 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.818 -21.347 7.758 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.244 -19.546 7.199 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.028 -21.308 7.079 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.545 -20.558 6.529 1.00 16.66 H new ATOM 415 N SER A 27 -17.251 -24.035 10.308 1.00 16.66 N ATOM 416 CA SER A 27 -17.603 -25.458 10.563 1.00 16.66 C ATOM 417 C SER A 27 -17.921 -26.136 9.232 1.00 16.66 C ATOM 418 O SER A 27 -18.083 -25.484 8.220 1.00 16.66 O ATOM 419 CB SER A 27 -18.831 -25.525 11.473 1.00 50.00 C ATOM 420 OG SER A 27 -20.006 -25.352 10.696 1.00 50.00 O ATOM 0 H SER A 27 -18.037 -23.432 10.065 1.00 16.66 H new ATOM 0 HA SER A 27 -16.767 -25.964 11.047 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.862 -26.484 11.990 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.772 -24.752 12.239 1.00 50.00 H new ATOM 0 HG SER A 27 -20.793 -25.397 11.278 1.00 50.00 H new ATOM 426 N ALA A 28 -18.015 -27.436 9.217 1.00 16.66 N ATOM 427 CA ALA A 28 -18.326 -28.133 7.941 1.00 16.66 C ATOM 428 C ALA A 28 -19.545 -27.475 7.302 1.00 16.66 C ATOM 429 O ALA A 28 -19.568 -27.200 6.120 1.00 16.66 O ATOM 430 CB ALA A 28 -18.622 -29.608 8.218 1.00 50.00 C ATOM 0 H ALA A 28 -17.891 -28.042 10.028 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.473 -28.063 7.266 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.850 -30.116 7.281 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.752 -30.073 8.681 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.476 -29.688 8.890 1.00 50.00 H new ATOM 436 N ALA A 29 -20.561 -27.217 8.075 1.00 16.66 N ATOM 437 CA ALA A 29 -21.777 -26.573 7.511 1.00 16.66 C ATOM 438 C ALA A 29 -21.389 -25.246 6.861 1.00 16.66 C ATOM 439 O ALA A 29 -21.862 -24.904 5.795 1.00 16.66 O ATOM 440 CB ALA A 29 -22.790 -26.319 8.629 1.00 50.00 C ATOM 0 H ALA A 29 -20.602 -27.424 9.073 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.224 -27.229 6.764 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.680 -25.847 8.213 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.065 -27.266 9.093 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.348 -25.663 9.378 1.00 50.00 H new ATOM 446 N GLU A 30 -20.526 -24.500 7.490 1.00 16.66 N ATOM 447 CA GLU A 30 -20.105 -23.202 6.899 1.00 16.66 C ATOM 448 C GLU A 30 -19.160 -23.471 5.731 1.00 16.66 C ATOM 449 O GLU A 30 -19.383 -23.023 4.624 1.00 16.66 O ATOM 450 CB GLU A 30 -19.393 -22.360 7.961 1.00 16.66 C ATOM 451 CG GLU A 30 -20.380 -22.010 9.078 1.00 16.66 C ATOM 452 CD GLU A 30 -19.686 -21.129 10.121 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.667 -21.540 10.629 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.187 -20.060 10.395 1.00 16.66 O ATOM 0 H GLU A 30 -20.095 -24.732 8.385 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.979 -22.657 6.543 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.545 -22.910 8.369 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.996 -21.449 7.513 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.243 -21.489 8.664 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.752 -22.921 9.547 1.00 16.66 H new ATOM 461 N LEU A 31 -18.108 -24.202 5.966 1.00 16.66 N ATOM 462 CA LEU A 31 -17.149 -24.505 4.871 1.00 16.66 C ATOM 463 C LEU A 31 -17.895 -25.219 3.749 1.00 16.66 C ATOM 464 O LEU A 31 -17.789 -24.866 2.590 1.00 16.66 O ATOM 465 CB LEU A 31 -16.045 -25.412 5.424 1.00 16.66 C ATOM 466 CG LEU A 31 -14.828 -25.392 4.496 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.602 -25.905 5.257 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.083 -26.295 3.289 1.00 16.66 C ATOM 0 H LEU A 31 -17.871 -24.604 6.873 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.706 -23.588 4.484 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.756 -25.079 6.421 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.418 -26.431 5.524 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.653 -24.372 4.155 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.733 -25.892 4.599 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.414 -25.264 6.118 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.785 -26.925 5.596 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.214 -26.277 2.631 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.260 -27.315 3.629 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -15.957 -25.937 2.745 1.00 16.66 H new ATOM 480 N GLY A 32 -18.655 -26.219 4.088 1.00 16.66 N ATOM 481 CA GLY A 32 -19.420 -26.961 3.053 1.00 16.66 C ATOM 482 C GLY A 32 -20.371 -26.000 2.342 1.00 16.66 C ATOM 483 O GLY A 32 -20.508 -26.021 1.135 1.00 16.66 O ATOM 0 H GLY A 32 -18.780 -26.556 5.043 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.737 -27.413 2.334 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -19.982 -27.774 3.513 1.00 16.66 H new ATOM 487 N GLU A 33 -21.033 -25.158 3.084 1.00 16.66 N ATOM 488 CA GLU A 33 -21.980 -24.196 2.458 1.00 16.66 C ATOM 489 C GLU A 33 -21.247 -23.356 1.418 1.00 16.66 C ATOM 490 O GLU A 33 -21.745 -23.122 0.334 1.00 16.66 O ATOM 491 CB GLU A 33 -22.560 -23.283 3.536 1.00 50.00 C ATOM 492 CG GLU A 33 -23.870 -23.876 4.059 1.00 50.00 C ATOM 493 CD GLU A 33 -24.630 -22.812 4.856 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.137 -21.700 4.939 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.690 -23.129 5.368 1.00 50.00 O ATOM 0 H GLU A 33 -20.959 -25.095 4.099 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.786 -24.745 1.972 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -21.848 -23.170 4.353 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -22.737 -22.288 3.128 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.480 -24.227 3.227 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.664 -24.740 4.690 1.00 50.00 H new ATOM 502 N ALA A 34 -20.066 -22.905 1.727 1.00 16.66 N ATOM 503 CA ALA A 34 -19.309 -22.090 0.740 1.00 16.66 C ATOM 504 C ALA A 34 -18.828 -23.008 -0.378 1.00 16.66 C ATOM 505 O ALA A 34 -18.836 -22.652 -1.541 1.00 16.66 O ATOM 506 CB ALA A 34 -18.107 -21.440 1.425 1.00 50.00 C ATOM 0 H ALA A 34 -19.593 -23.064 2.617 1.00 16.66 H new ATOM 0 HA ALA A 34 -19.949 -21.308 0.332 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.554 -20.843 0.700 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.453 -20.798 2.235 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.456 -22.215 1.830 1.00 50.00 H new ATOM 512 N LEU A 35 -18.406 -24.189 -0.030 1.00 99.99 N ATOM 513 CA LEU A 35 -17.917 -25.144 -1.057 1.00 99.99 C ATOM 514 C LEU A 35 -19.030 -25.441 -2.062 1.00 99.99 C ATOM 515 O LEU A 35 -18.776 -25.663 -3.228 1.00 99.99 O ATOM 516 CB LEU A 35 -17.487 -26.442 -0.374 1.00 99.99 C ATOM 517 CG LEU A 35 -16.057 -26.296 0.148 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.586 -27.633 0.725 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.131 -25.882 -0.997 1.00 99.99 C ATOM 0 H LEU A 35 -18.379 -24.535 0.929 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.069 -24.706 -1.583 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.164 -26.674 0.449 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.545 -27.272 -1.078 1.00 99.99 H new ATOM 0 HG LEU A 35 -16.033 -25.533 0.926 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.567 -27.530 1.097 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.243 -27.928 1.543 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.612 -28.395 -0.054 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.113 -25.779 -0.622 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.155 -26.643 -1.777 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.465 -24.929 -1.408 1.00 99.99 H new ATOM 531 N LYS A 36 -20.261 -25.453 -1.625 1.00 99.99 N ATOM 532 CA LYS A 36 -21.379 -25.744 -2.567 1.00 99.99 C ATOM 533 C LYS A 36 -21.165 -24.973 -3.871 1.00 99.99 C ATOM 534 O LYS A 36 -21.627 -25.373 -4.921 1.00 99.99 O ATOM 535 CB LYS A 36 -22.704 -25.316 -1.934 1.00 99.99 C ATOM 536 CG LYS A 36 -23.578 -26.549 -1.699 1.00 99.99 C ATOM 537 CD LYS A 36 -24.840 -26.142 -0.937 1.00 99.99 C ATOM 538 CE LYS A 36 -24.920 -26.929 0.373 1.00 99.99 C ATOM 539 NZ LYS A 36 -24.983 -28.387 0.073 1.00 99.99 N ATOM 0 H LYS A 36 -20.539 -25.275 -0.660 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.405 -26.813 -2.778 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.520 -24.803 -0.990 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.219 -24.610 -2.585 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -23.847 -27.004 -2.652 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.024 -27.298 -1.133 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.824 -25.072 -0.731 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.724 -26.336 -1.545 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.051 -26.712 0.994 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.800 -26.625 0.939 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.564 -28.864 0.791 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -25.406 -28.530 -0.866 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -24.022 -28.786 0.084 1.00 99.99 H new ATOM 553 N THR A 37 -20.470 -23.871 -3.813 1.00 99.99 N ATOM 554 CA THR A 37 -20.231 -23.078 -5.049 1.00 99.99 C ATOM 555 C THR A 37 -19.665 -23.992 -6.133 1.00 99.99 C ATOM 556 O THR A 37 -19.797 -23.732 -7.313 1.00 99.99 O ATOM 557 CB THR A 37 -19.233 -21.956 -4.744 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.250 -21.010 -5.803 1.00 99.99 O ATOM 559 CG2 THR A 37 -17.825 -22.540 -4.600 1.00 99.99 C ATOM 0 H THR A 37 -20.058 -23.486 -2.963 1.00 99.99 H new ATOM 0 HA THR A 37 -21.168 -22.643 -5.397 1.00 99.99 H new ATOM 0 HB THR A 37 -19.514 -21.466 -3.812 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.191 -20.104 -5.434 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.119 -21.738 -4.383 1.00 99.99 H new ATOM 0 HG22 THR A 37 -17.813 -23.264 -3.785 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.539 -23.034 -5.529 1.00 99.99 H new ATOM 567 N LEU A 38 -19.039 -25.067 -5.741 1.00 16.66 N ATOM 568 CA LEU A 38 -18.467 -26.004 -6.748 1.00 16.66 C ATOM 569 C LEU A 38 -19.597 -26.566 -7.612 1.00 16.66 C ATOM 570 O LEU A 38 -19.426 -26.828 -8.785 1.00 16.66 O ATOM 571 CB LEU A 38 -17.751 -27.150 -6.031 1.00 50.00 C ATOM 572 CG LEU A 38 -16.422 -26.646 -5.466 1.00 50.00 C ATOM 573 CD1 LEU A 38 -16.337 -26.989 -3.979 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.264 -27.314 -6.211 1.00 50.00 C ATOM 0 H LEU A 38 -18.899 -25.337 -4.767 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.754 -25.473 -7.379 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.377 -27.538 -5.227 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.575 -27.973 -6.723 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.360 -25.565 -5.593 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.390 -26.630 -3.576 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -17.161 -26.513 -3.448 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -16.399 -28.070 -3.851 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.317 -26.955 -5.808 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.325 -28.395 -6.085 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -15.324 -27.069 -7.271 1.00 50.00 H new ATOM 586 N GLY A 39 -20.754 -26.744 -7.038 1.00 16.66 N ATOM 587 CA GLY A 39 -21.903 -27.282 -7.821 1.00 16.66 C ATOM 588 C GLY A 39 -21.684 -28.770 -8.108 1.00 16.66 C ATOM 589 O GLY A 39 -22.477 -29.403 -8.776 1.00 16.66 O ATOM 0 H GLY A 39 -20.955 -26.540 -6.059 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.831 -27.142 -7.266 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.006 -26.733 -8.757 1.00 16.66 H new ATOM 593 N SER A 40 -20.616 -29.336 -7.614 1.00 16.66 N ATOM 594 CA SER A 40 -20.361 -30.781 -7.869 1.00 16.66 C ATOM 595 C SER A 40 -19.478 -31.361 -6.761 1.00 16.66 C ATOM 596 O SER A 40 -18.429 -31.917 -7.020 1.00 16.66 O ATOM 597 CB SER A 40 -19.655 -30.938 -9.216 1.00 16.66 C ATOM 598 OG SER A 40 -20.549 -31.515 -10.157 1.00 16.66 O ATOM 0 H SER A 40 -19.913 -28.862 -7.048 1.00 16.66 H new ATOM 0 HA SER A 40 -21.311 -31.316 -7.884 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.311 -29.967 -9.573 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.772 -31.567 -9.104 1.00 16.66 H new ATOM 0 HG SER A 40 -21.429 -31.092 -10.074 1.00 16.66 H new ATOM 604 N ILE A 41 -19.893 -31.244 -5.530 1.00 16.66 N ATOM 605 CA ILE A 41 -19.074 -31.801 -4.415 1.00 16.66 C ATOM 606 C ILE A 41 -19.994 -32.484 -3.400 1.00 16.66 C ATOM 607 O ILE A 41 -21.197 -32.325 -3.431 1.00 16.66 O ATOM 608 CB ILE A 41 -18.295 -30.672 -3.727 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.155 -31.272 -2.900 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.226 -29.884 -2.801 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.019 -30.255 -2.780 1.00 16.66 C ATOM 0 H ILE A 41 -20.761 -30.788 -5.248 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.368 -32.529 -4.815 1.00 16.66 H new ATOM 0 HB ILE A 41 -17.890 -30.003 -4.487 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.517 -31.547 -1.909 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.791 -32.185 -3.372 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.666 -29.084 -2.316 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.041 -29.454 -3.384 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.635 -30.552 -2.043 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.208 -30.683 -2.191 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.651 -30.002 -3.774 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.387 -29.354 -2.289 1.00 16.66 H new ATOM 623 N THR A 42 -19.433 -33.236 -2.496 1.00 16.66 N ATOM 624 CA THR A 42 -20.270 -33.923 -1.474 1.00 16.66 C ATOM 625 C THR A 42 -19.871 -33.412 -0.095 1.00 16.66 C ATOM 626 O THR A 42 -18.830 -32.808 0.074 1.00 16.66 O ATOM 627 CB THR A 42 -20.044 -35.447 -1.532 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.291 -35.861 -0.400 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.284 -35.822 -2.806 1.00 16.66 C ATOM 0 H THR A 42 -18.430 -33.405 -2.420 1.00 16.66 H new ATOM 0 HA THR A 42 -21.322 -33.715 -1.670 1.00 16.66 H new ATOM 0 HB THR A 42 -21.014 -35.945 -1.534 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.639 -36.540 -0.671 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.131 -36.901 -2.834 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.861 -35.514 -3.678 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.317 -35.318 -2.815 1.00 16.66 H new ATOM 637 N PRO A 43 -20.704 -33.677 0.917 1.00 16.66 N ATOM 638 CA PRO A 43 -20.418 -33.261 2.287 1.00 16.66 C ATOM 639 C PRO A 43 -19.243 -34.060 2.846 1.00 16.66 C ATOM 640 O PRO A 43 -18.470 -33.578 3.649 1.00 16.66 O ATOM 641 CB PRO A 43 -21.703 -33.601 3.043 1.00 50.00 C ATOM 642 CG PRO A 43 -22.329 -34.691 2.240 1.00 50.00 C ATOM 643 CD PRO A 43 -21.980 -34.404 0.806 1.00 50.00 C ATOM 0 HA PRO A 43 -20.146 -32.209 2.366 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.490 -33.929 4.060 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.361 -32.735 3.118 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -21.951 -35.667 2.546 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.410 -34.709 2.382 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.874 -35.320 0.225 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.746 -33.803 0.316 1.00 50.00 H new ATOM 651 N ASP A 44 -19.114 -35.287 2.421 1.00 16.66 N ATOM 652 CA ASP A 44 -18.001 -36.139 2.917 1.00 16.66 C ATOM 653 C ASP A 44 -16.657 -35.554 2.480 1.00 16.66 C ATOM 654 O ASP A 44 -15.647 -35.769 3.119 1.00 16.66 O ATOM 655 CB ASP A 44 -18.149 -37.553 2.352 1.00 50.00 C ATOM 656 CG ASP A 44 -19.427 -38.189 2.902 1.00 50.00 C ATOM 657 OD1 ASP A 44 -19.997 -37.626 3.823 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.814 -39.229 2.394 1.00 50.00 O ATOM 0 H ASP A 44 -19.735 -35.736 1.748 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.038 -36.173 4.006 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.186 -37.519 1.263 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.283 -38.157 2.623 1.00 50.00 H new ATOM 663 N GLU A 45 -16.625 -34.810 1.406 1.00 16.66 N ATOM 664 CA GLU A 45 -15.335 -34.219 0.963 1.00 16.66 C ATOM 665 C GLU A 45 -15.088 -32.956 1.777 1.00 16.66 C ATOM 666 O GLU A 45 -13.989 -32.687 2.219 1.00 16.66 O ATOM 667 CB GLU A 45 -15.411 -33.867 -0.523 1.00 16.66 C ATOM 668 CG GLU A 45 -15.500 -35.153 -1.349 1.00 16.66 C ATOM 669 CD GLU A 45 -15.404 -34.810 -2.837 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.234 -33.643 -3.147 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.504 -35.722 -3.642 1.00 16.66 O ATOM 0 H GLU A 45 -17.432 -34.589 0.822 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.523 -34.931 1.113 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.281 -33.238 -0.715 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.532 -33.293 -0.817 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -14.696 -35.834 -1.069 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.439 -35.666 -1.143 1.00 16.66 H new ATOM 678 N VAL A 46 -16.116 -32.186 1.987 1.00 16.66 N ATOM 679 CA VAL A 46 -15.964 -30.941 2.783 1.00 16.66 C ATOM 680 C VAL A 46 -15.540 -31.309 4.204 1.00 16.66 C ATOM 681 O VAL A 46 -14.762 -30.620 4.832 1.00 16.66 O ATOM 682 CB VAL A 46 -17.297 -30.197 2.823 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.202 -29.028 3.807 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.619 -29.669 1.426 1.00 50.00 C ATOM 0 H VAL A 46 -17.058 -32.366 1.640 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.209 -30.300 2.328 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.086 -30.875 3.148 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.154 -28.498 3.835 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.969 -29.408 4.802 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.415 -28.345 3.486 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.570 -29.137 1.448 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.830 -28.989 1.103 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.687 -30.504 0.728 1.00 50.00 H new ATOM 694 N LYS A 47 -16.040 -32.403 4.708 1.00 16.66 N ATOM 695 CA LYS A 47 -15.659 -32.828 6.083 1.00 16.66 C ATOM 696 C LYS A 47 -14.191 -33.243 6.079 1.00 16.66 C ATOM 697 O LYS A 47 -13.453 -32.978 7.009 1.00 16.66 O ATOM 698 CB LYS A 47 -16.528 -34.011 6.517 1.00 16.66 C ATOM 699 CG LYS A 47 -17.963 -33.531 6.745 1.00 16.66 C ATOM 700 CD LYS A 47 -18.824 -34.707 7.212 1.00 16.66 C ATOM 701 CE LYS A 47 -20.303 -34.325 7.112 1.00 50.00 C ATOM 702 NZ LYS A 47 -21.093 -35.511 6.673 1.00 50.00 N ATOM 0 H LYS A 47 -16.695 -33.020 4.228 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.809 -32.004 6.780 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.510 -34.789 5.754 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.131 -34.452 7.431 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -17.978 -32.736 7.491 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.369 -33.112 5.824 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.622 -35.586 6.600 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.574 -34.970 8.240 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.664 -33.971 8.077 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.431 -33.506 6.404 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -22.098 -35.253 6.605 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.753 -35.829 5.743 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.979 -36.279 7.365 1.00 50.00 H new ATOM 716 N HIS A 48 -13.759 -33.888 5.032 1.00 16.66 N ATOM 717 CA HIS A 48 -12.336 -34.318 4.954 1.00 16.66 C ATOM 718 C HIS A 48 -11.441 -33.083 4.862 1.00 16.66 C ATOM 719 O HIS A 48 -10.358 -33.048 5.413 1.00 16.66 O ATOM 720 CB HIS A 48 -12.134 -35.188 3.712 1.00 16.66 C ATOM 721 CG HIS A 48 -10.695 -35.617 3.628 1.00 16.66 C ATOM 722 ND1 HIS A 48 -9.980 -35.574 2.442 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.826 -36.099 4.575 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.737 -36.020 2.703 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.589 -36.353 3.988 1.00 50.00 N ATOM 0 H HIS A 48 -14.332 -34.136 4.225 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.077 -34.892 5.844 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.783 -36.062 3.758 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.412 -34.632 2.817 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -10.065 -36.257 5.616 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -7.954 -36.099 1.963 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.750 -36.715 4.442 1.00 50.00 H new ATOM 733 N MET A 49 -11.886 -32.060 4.179 1.00 16.66 N ATOM 734 CA MET A 49 -11.058 -30.833 4.068 1.00 16.66 C ATOM 735 C MET A 49 -10.829 -30.272 5.467 1.00 16.66 C ATOM 736 O MET A 49 -9.724 -29.932 5.842 1.00 16.66 O ATOM 737 CB MET A 49 -11.791 -29.800 3.216 1.00 16.66 C ATOM 738 CG MET A 49 -11.475 -30.040 1.738 1.00 16.66 C ATOM 739 SD MET A 49 -11.552 -28.471 0.840 1.00 16.66 S ATOM 740 CE MET A 49 -12.248 -29.124 -0.697 1.00 16.66 C ATOM 0 H MET A 49 -12.784 -32.026 3.697 1.00 16.66 H new ATOM 0 HA MET A 49 -10.102 -31.068 3.600 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.866 -29.870 3.385 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.488 -28.794 3.505 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.484 -30.482 1.634 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.186 -30.749 1.314 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.382 -28.311 -1.410 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.570 -29.867 -1.117 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.212 -29.589 -0.491 1.00 16.66 H new ATOM 750 N MET A 50 -11.869 -30.185 6.245 1.00 16.66 N ATOM 751 CA MET A 50 -11.724 -29.661 7.625 1.00 16.66 C ATOM 752 C MET A 50 -10.790 -30.580 8.408 1.00 16.66 C ATOM 753 O MET A 50 -9.860 -30.141 9.048 1.00 16.66 O ATOM 754 CB MET A 50 -13.097 -29.628 8.294 1.00 16.66 C ATOM 755 CG MET A 50 -13.890 -28.432 7.764 1.00 16.66 C ATOM 756 SD MET A 50 -15.275 -28.090 8.876 1.00 16.66 S ATOM 757 CE MET A 50 -14.293 -27.578 10.306 1.00 50.00 C ATOM 0 H MET A 50 -12.816 -30.456 5.982 1.00 16.66 H new ATOM 0 HA MET A 50 -11.309 -28.653 7.603 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.635 -30.554 8.092 1.00 16.66 H new ATOM 0 HB3 MET A 50 -12.985 -29.554 9.376 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.244 -27.557 7.690 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.259 -28.642 6.760 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.825 -26.799 10.852 1.00 50.00 H new ATOM 0 HE2 MET A 50 -14.130 -28.434 10.961 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.331 -27.192 9.968 1.00 50.00 H new ATOM 767 N ALA A 51 -11.028 -31.857 8.352 1.00 16.66 N ATOM 768 CA ALA A 51 -10.152 -32.812 9.085 1.00 16.66 C ATOM 769 C ALA A 51 -8.700 -32.592 8.657 1.00 16.66 C ATOM 770 O ALA A 51 -7.773 -32.947 9.359 1.00 16.66 O ATOM 771 CB ALA A 51 -10.571 -34.246 8.755 1.00 50.00 C ATOM 0 H ALA A 51 -11.793 -32.284 7.829 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.247 -32.647 10.158 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.930 -34.945 9.292 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.607 -34.400 9.055 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.475 -34.415 7.683 1.00 50.00 H new ATOM 777 N GLU A 52 -8.496 -32.007 7.509 1.00 16.66 N ATOM 778 CA GLU A 52 -7.105 -31.761 7.033 1.00 16.66 C ATOM 779 C GLU A 52 -6.716 -30.315 7.343 1.00 16.66 C ATOM 780 O GLU A 52 -5.586 -30.019 7.677 1.00 16.66 O ATOM 781 CB GLU A 52 -7.033 -31.994 5.524 1.00 16.66 C ATOM 782 CG GLU A 52 -6.938 -33.495 5.245 1.00 16.66 C ATOM 783 CD GLU A 52 -5.482 -33.949 5.381 1.00 16.66 C ATOM 784 OE1 GLU A 52 -4.619 -33.089 5.453 1.00 16.66 O ATOM 785 OE2 GLU A 52 -5.256 -35.147 5.410 1.00 16.66 O ATOM 0 H GLU A 52 -9.233 -31.688 6.879 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.420 -32.442 7.537 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.916 -31.578 5.038 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.167 -31.480 5.107 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -7.568 -34.046 5.943 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.306 -33.713 4.242 1.00 16.66 H new ATOM 792 N ILE A 53 -7.651 -29.416 7.232 1.00 16.66 N ATOM 793 CA ILE A 53 -7.357 -27.985 7.516 1.00 16.66 C ATOM 794 C ILE A 53 -7.399 -27.738 9.024 1.00 16.66 C ATOM 795 O ILE A 53 -6.698 -26.892 9.546 1.00 16.66 O ATOM 796 CB ILE A 53 -8.415 -27.126 6.832 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.345 -27.349 5.322 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.155 -25.658 7.154 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.471 -26.574 4.640 1.00 50.00 C ATOM 0 H ILE A 53 -8.613 -29.612 6.955 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.366 -27.730 7.142 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.407 -27.402 7.190 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.379 -27.020 4.939 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.432 -28.412 5.096 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.909 -25.040 6.667 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.204 -25.508 8.233 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.166 -25.376 6.793 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.421 -26.733 3.563 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.433 -26.924 5.015 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.363 -25.511 4.855 1.00 50.00 H new ATOM 811 N ASP A 54 -8.214 -28.471 9.725 1.00 16.66 N ATOM 812 CA ASP A 54 -8.317 -28.299 11.197 1.00 16.66 C ATOM 813 C ASP A 54 -6.960 -28.607 11.841 1.00 16.66 C ATOM 814 O ASP A 54 -6.579 -29.750 11.993 1.00 16.66 O ATOM 815 CB ASP A 54 -9.375 -29.278 11.712 1.00 16.66 C ATOM 816 CG ASP A 54 -9.992 -28.754 13.007 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.695 -27.631 13.368 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.762 -29.483 13.610 1.00 16.66 O ATOM 0 H ASP A 54 -8.821 -29.192 9.335 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.598 -27.276 11.448 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.152 -29.414 10.960 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.924 -30.255 11.885 1.00 16.66 H new ATOM 823 N THR A 55 -6.221 -27.592 12.202 1.00 16.66 N ATOM 824 CA THR A 55 -4.879 -27.822 12.815 1.00 16.66 C ATOM 825 C THR A 55 -5.016 -28.332 14.252 1.00 16.66 C ATOM 826 O THR A 55 -4.374 -29.287 14.641 1.00 16.66 O ATOM 827 CB THR A 55 -4.091 -26.510 12.821 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.807 -25.531 13.558 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.888 -26.026 11.385 1.00 50.00 C ATOM 0 H THR A 55 -6.488 -26.613 12.099 1.00 16.66 H new ATOM 0 HA THR A 55 -4.354 -28.574 12.225 1.00 16.66 H new ATOM 0 HB THR A 55 -3.119 -26.674 13.286 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.766 -25.727 13.517 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.327 -25.092 11.392 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.334 -26.778 10.822 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.858 -25.863 10.915 1.00 50.00 H new ATOM 837 N ASP A 56 -5.834 -27.703 15.048 1.00 16.66 N ATOM 838 CA ASP A 56 -5.985 -28.163 16.462 1.00 16.66 C ATOM 839 C ASP A 56 -7.026 -29.285 16.535 1.00 16.66 C ATOM 840 O ASP A 56 -6.945 -30.162 17.372 1.00 16.66 O ATOM 841 CB ASP A 56 -6.407 -26.990 17.352 1.00 16.66 C ATOM 842 CG ASP A 56 -7.862 -26.618 17.073 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.270 -26.724 15.932 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.541 -26.226 18.006 1.00 16.66 O ATOM 0 H ASP A 56 -6.402 -26.897 14.787 1.00 16.66 H new ATOM 0 HA ASP A 56 -5.028 -28.545 16.818 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.287 -27.258 18.402 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.762 -26.131 17.166 1.00 16.66 H new ATOM 849 N GLY A 57 -7.987 -29.282 15.653 1.00 16.66 N ATOM 850 CA GLY A 57 -9.009 -30.369 15.665 1.00 16.66 C ATOM 851 C GLY A 57 -10.225 -29.965 16.507 1.00 16.66 C ATOM 852 O GLY A 57 -10.919 -30.808 17.040 1.00 16.66 O ATOM 0 H GLY A 57 -8.110 -28.577 14.926 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.324 -30.589 14.645 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.570 -31.282 16.067 1.00 16.66 H new ATOM 856 N ASP A 58 -10.503 -28.695 16.630 1.00 16.66 N ATOM 857 CA ASP A 58 -11.687 -28.282 17.438 1.00 16.66 C ATOM 858 C ASP A 58 -12.952 -28.399 16.584 1.00 16.66 C ATOM 859 O ASP A 58 -14.051 -28.172 17.051 1.00 16.66 O ATOM 860 CB ASP A 58 -11.521 -26.838 17.916 1.00 50.00 C ATOM 861 CG ASP A 58 -11.685 -25.885 16.733 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.126 -26.171 15.691 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.367 -24.886 16.890 1.00 50.00 O ATOM 0 H ASP A 58 -9.969 -27.933 16.212 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.771 -28.934 18.307 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.260 -26.611 18.684 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.539 -26.705 18.370 1.00 50.00 H new ATOM 868 N GLY A 59 -12.811 -28.765 15.337 1.00 16.66 N ATOM 869 CA GLY A 59 -14.008 -28.912 14.460 1.00 16.66 C ATOM 870 C GLY A 59 -14.197 -27.657 13.602 1.00 16.66 C ATOM 871 O GLY A 59 -15.068 -27.604 12.756 1.00 16.66 O ATOM 0 H GLY A 59 -11.918 -28.968 14.889 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.892 -29.785 13.818 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.895 -29.081 15.070 1.00 16.66 H new ATOM 875 N PHE A 60 -13.402 -26.644 13.812 1.00 16.66 N ATOM 876 CA PHE A 60 -13.566 -25.402 13.002 1.00 16.66 C ATOM 877 C PHE A 60 -12.214 -24.891 12.497 1.00 16.66 C ATOM 878 O PHE A 60 -11.169 -25.111 13.097 1.00 16.66 O ATOM 879 CB PHE A 60 -14.214 -24.311 13.852 1.00 50.00 C ATOM 880 CG PHE A 60 -15.444 -24.852 14.534 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.655 -24.918 13.837 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.375 -25.279 15.864 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.799 -25.414 14.471 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.519 -25.774 16.498 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.731 -25.842 15.802 1.00 50.00 C ATOM 0 H PHE A 60 -12.652 -26.621 14.503 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.198 -25.642 12.147 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.505 -23.949 14.596 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.480 -23.460 13.225 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.707 -24.586 12.810 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.439 -25.227 16.401 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.734 -25.467 13.934 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.467 -26.104 17.525 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.614 -26.225 16.292 1.00 50.00 H new ATOM 895 N ILE A 61 -12.232 -24.183 11.400 1.00 16.66 N ATOM 896 CA ILE A 61 -10.977 -23.625 10.850 1.00 16.66 C ATOM 897 C ILE A 61 -10.945 -22.122 11.140 1.00 16.66 C ATOM 898 O ILE A 61 -11.878 -21.405 10.840 1.00 16.66 O ATOM 899 CB ILE A 61 -10.937 -23.852 9.338 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.246 -25.321 9.030 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.547 -23.498 8.807 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.263 -26.226 9.778 1.00 16.66 C ATOM 0 H ILE A 61 -13.072 -23.969 10.862 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.118 -24.114 11.308 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.682 -23.219 8.856 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.268 -25.557 9.325 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.175 -25.500 7.957 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.517 -23.659 7.729 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.330 -22.452 9.023 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.801 -24.130 9.289 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.487 -27.269 9.555 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.245 -25.998 9.461 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.356 -26.056 10.851 1.00 16.66 H new ATOM 914 N SER A 62 -9.880 -21.638 11.710 1.00 16.66 N ATOM 915 CA SER A 62 -9.790 -20.185 12.007 1.00 16.66 C ATOM 916 C SER A 62 -9.059 -19.497 10.857 1.00 16.66 C ATOM 917 O SER A 62 -8.459 -20.142 10.021 1.00 16.66 O ATOM 918 CB SER A 62 -9.014 -19.973 13.308 1.00 16.66 C ATOM 919 OG SER A 62 -9.592 -20.761 14.338 1.00 16.66 O ATOM 0 H SER A 62 -9.066 -22.188 11.984 1.00 16.66 H new ATOM 0 HA SER A 62 -10.790 -19.765 12.118 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.968 -20.247 13.169 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.033 -18.920 13.588 1.00 16.66 H new ATOM 0 HG SER A 62 -9.094 -20.627 15.171 1.00 16.66 H new ATOM 925 N PHE A 63 -9.099 -18.197 10.801 1.00 16.66 N ATOM 926 CA PHE A 63 -8.398 -17.498 9.696 1.00 16.66 C ATOM 927 C PHE A 63 -6.940 -17.944 9.685 1.00 16.66 C ATOM 928 O PHE A 63 -6.364 -18.206 8.647 1.00 16.66 O ATOM 929 CB PHE A 63 -8.465 -15.987 9.906 1.00 16.66 C ATOM 930 CG PHE A 63 -7.743 -15.310 8.770 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.114 -15.587 7.450 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.699 -14.417 9.033 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.442 -14.968 6.391 1.00 16.66 C ATOM 934 CE2 PHE A 63 -6.027 -13.797 7.975 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.398 -14.074 6.652 1.00 16.66 C ATOM 0 H PHE A 63 -9.583 -17.594 11.467 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.875 -17.743 8.747 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.503 -15.656 9.945 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -8.009 -15.717 10.858 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.919 -16.278 7.249 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.412 -14.206 10.053 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.729 -15.180 5.372 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.223 -13.105 8.177 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.878 -13.597 5.834 1.00 16.66 H new ATOM 945 N GLN A 64 -6.343 -18.038 10.838 1.00 16.66 N ATOM 946 CA GLN A 64 -4.925 -18.474 10.914 1.00 16.66 C ATOM 947 C GLN A 64 -4.801 -19.884 10.332 1.00 16.66 C ATOM 948 O GLN A 64 -3.945 -20.157 9.515 1.00 16.66 O ATOM 949 CB GLN A 64 -4.490 -18.481 12.378 1.00 16.66 C ATOM 950 CG GLN A 64 -2.983 -18.736 12.463 1.00 16.66 C ATOM 951 CD GLN A 64 -2.228 -17.504 11.962 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.380 -16.424 12.495 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.412 -17.622 10.949 1.00 50.00 N ATOM 0 H GLN A 64 -6.780 -17.830 11.736 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.291 -17.793 10.346 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.735 -17.527 12.845 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -5.031 -19.253 12.925 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.698 -18.957 13.492 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.717 -19.607 11.865 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.284 -18.529 10.501 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.903 -16.807 10.606 1.00 50.00 H new ATOM 962 N GLU A 65 -5.655 -20.781 10.748 1.00 16.66 N ATOM 963 CA GLU A 65 -5.596 -22.173 10.221 1.00 16.66 C ATOM 964 C GLU A 65 -5.791 -22.146 8.706 1.00 16.66 C ATOM 965 O GLU A 65 -5.066 -22.776 7.962 1.00 16.66 O ATOM 966 CB GLU A 65 -6.715 -23.002 10.853 1.00 16.66 C ATOM 967 CG GLU A 65 -6.232 -23.620 12.167 1.00 16.66 C ATOM 968 CD GLU A 65 -7.384 -24.388 12.824 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.518 -24.075 12.537 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.115 -25.274 13.602 1.00 16.66 O ATOM 0 H GLU A 65 -6.392 -20.608 11.432 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.629 -22.614 10.463 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.586 -22.372 11.036 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -7.029 -23.788 10.166 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.394 -24.291 11.979 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.872 -22.840 12.838 1.00 16.66 H new ATOM 977 N PHE A 66 -6.772 -21.422 8.248 1.00 16.66 N ATOM 978 CA PHE A 66 -7.028 -21.349 6.784 1.00 16.66 C ATOM 979 C PHE A 66 -5.819 -20.727 6.088 1.00 16.66 C ATOM 980 O PHE A 66 -5.428 -21.136 5.013 1.00 16.66 O ATOM 981 CB PHE A 66 -8.266 -20.485 6.532 1.00 16.66 C ATOM 982 CG PHE A 66 -8.607 -20.508 5.062 1.00 16.66 C ATOM 983 CD1 PHE A 66 -8.055 -19.552 4.203 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.478 -21.482 4.560 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.374 -19.569 2.839 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.797 -21.500 3.197 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.244 -20.544 2.337 1.00 16.66 C ATOM 0 H PHE A 66 -7.410 -20.876 8.827 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.196 -22.351 6.389 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.107 -20.857 7.117 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -8.080 -19.461 6.857 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.383 -18.801 4.591 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.904 -22.220 5.224 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.949 -18.831 2.175 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.469 -22.251 2.809 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.489 -20.559 1.285 1.00 16.66 H new ATOM 997 N THR A 67 -5.220 -19.744 6.699 1.00 16.66 N ATOM 998 CA THR A 67 -4.032 -19.096 6.081 1.00 16.66 C ATOM 999 C THR A 67 -2.879 -20.100 6.025 1.00 16.66 C ATOM 1000 O THR A 67 -2.233 -20.262 5.010 1.00 16.66 O ATOM 1001 CB THR A 67 -3.615 -17.887 6.921 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.568 -16.846 6.752 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.238 -17.399 6.469 1.00 50.00 C ATOM 0 H THR A 67 -5.503 -19.361 7.601 1.00 16.66 H new ATOM 0 HA THR A 67 -4.280 -18.768 5.072 1.00 16.66 H new ATOM 0 HB THR A 67 -3.569 -18.172 7.972 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.355 -17.030 7.306 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.942 -16.538 7.068 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.508 -18.198 6.598 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.280 -17.112 5.418 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.618 -20.778 7.110 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.508 -21.773 7.118 1.00 25.00 C ATOM 1013 C ASP A 68 -1.770 -22.837 6.052 1.00 25.00 C ATOM 1014 O ASP A 68 -0.862 -23.320 5.405 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.425 -22.436 8.494 1.00 25.00 C ATOM 1016 CG ASP A 68 -1.019 -21.396 9.539 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.575 -20.331 9.144 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.160 -21.682 10.717 1.00 50.00 O ATOM 0 H ASP A 68 -3.125 -20.686 7.990 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.566 -21.268 6.903 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.388 -22.874 8.757 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.700 -23.249 8.474 1.00 25.00 H new ATOM 1023 N PHE A 69 -3.007 -23.205 5.865 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.337 -24.232 4.846 1.00 25.00 C ATOM 1025 C PHE A 69 -3.280 -23.582 3.458 1.00 25.00 C ATOM 1026 O PHE A 69 -2.857 -24.188 2.494 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.740 -24.787 5.155 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.481 -25.114 3.884 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.010 -24.080 3.109 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.636 -26.444 3.484 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.698 -24.375 1.927 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.323 -26.741 2.304 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.855 -25.707 1.523 1.00 50.00 C ATOM 0 H PHE A 69 -3.806 -22.834 6.379 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.625 -25.057 4.865 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.654 -25.682 5.771 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.306 -24.056 5.733 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.888 -23.053 3.422 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.225 -27.241 4.086 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.108 -23.576 1.327 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.444 -27.768 1.994 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.385 -25.936 0.611 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.699 -22.351 3.356 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.663 -21.660 2.037 1.00 16.66 C ATOM 1045 C GLY A 70 -2.225 -21.648 1.514 1.00 16.66 C ATOM 1046 O GLY A 70 -1.986 -21.686 0.323 1.00 16.66 O ATOM 0 H GLY A 70 -4.064 -21.794 4.129 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.316 -22.169 1.328 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.035 -20.640 2.137 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.266 -21.606 2.399 1.00 25.00 N ATOM 1051 CA ARG A 71 0.157 -21.602 1.957 1.00 25.00 C ATOM 1052 C ARG A 71 0.486 -22.956 1.331 1.00 25.00 C ATOM 1053 O ARG A 71 1.298 -23.059 0.434 1.00 25.00 O ATOM 1054 CB ARG A 71 1.068 -21.365 3.162 1.00 50.00 C ATOM 1055 CG ARG A 71 0.657 -20.072 3.864 1.00 50.00 C ATOM 1056 CD ARG A 71 1.340 -19.995 5.229 1.00 50.00 C ATOM 1057 NE ARG A 71 2.776 -19.665 5.033 1.00 50.00 N ATOM 1058 CZ ARG A 71 3.603 -19.715 6.042 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.158 -19.562 7.260 1.00 50.00 N ATOM 1060 NH2 ARG A 71 4.874 -19.920 5.833 1.00 50.00 N ATOM 0 H ARG A 71 -1.407 -21.574 3.409 1.00 25.00 H new ATOM 0 HA ARG A 71 0.313 -20.808 1.227 1.00 25.00 H new ATOM 0 HB2 ARG A 71 1.000 -22.205 3.854 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.107 -21.302 2.839 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.936 -19.211 3.257 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.426 -20.039 3.985 1.00 50.00 H new ATOM 0 HD2 ARG A 71 0.860 -19.237 5.848 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.240 -20.945 5.754 1.00 50.00 H new ATOM 0 HE ARG A 71 3.116 -19.399 4.109 1.00 50.00 H new ATOM 0 HH11 ARG A 71 2.164 -19.403 7.424 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.805 -19.601 8.048 1.00 50.00 H new ATOM 0 HH21 ARG A 71 5.221 -20.041 4.882 1.00 50.00 H new ATOM 0 HH22 ARG A 71 5.521 -19.959 6.621 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.148 -23.994 1.798 1.00 25.00 N ATOM 1075 CA ALA A 72 0.114 -25.347 1.237 1.00 25.00 C ATOM 1076 C ALA A 72 -0.419 -25.414 -0.194 1.00 25.00 C ATOM 1077 O ALA A 72 0.000 -26.232 -0.989 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.597 -26.395 2.094 1.00 50.00 C ATOM 0 H ALA A 72 -0.839 -23.963 2.547 1.00 25.00 H new ATOM 0 HA ALA A 72 1.186 -25.542 1.236 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.408 -27.388 1.686 1.00 50.00 H new ATOM 0 HB2 ALA A 72 -0.222 -26.345 3.116 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.669 -26.200 2.091 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.343 -24.555 -0.528 1.00 25.00 N ATOM 1085 CA ASN A 73 -1.907 -24.561 -1.904 1.00 25.00 C ATOM 1086 C ASN A 73 -2.338 -23.141 -2.273 1.00 25.00 C ATOM 1087 O ASN A 73 -3.486 -22.890 -2.580 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.120 -25.492 -1.953 1.00 25.00 C ATOM 1089 CG ASN A 73 -4.024 -25.214 -0.753 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -4.775 -24.258 -0.750 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.983 -26.014 0.276 1.00 50.00 N ATOM 0 H ASN A 73 -1.732 -23.848 0.096 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.154 -24.912 -2.610 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -3.672 -25.339 -2.881 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -2.794 -26.532 -1.943 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -4.581 -25.838 1.083 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -3.353 -26.816 0.274 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.425 -22.210 -2.246 1.00 25.00 N ATOM 1099 CA ARG A 74 -1.785 -20.810 -2.596 1.00 25.00 C ATOM 1100 C ARG A 74 -2.528 -20.815 -3.927 1.00 25.00 C ATOM 1101 O ARG A 74 -3.474 -20.078 -4.132 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.515 -19.965 -2.720 1.00 25.00 C ATOM 1103 CG ARG A 74 0.391 -20.561 -3.799 1.00 25.00 C ATOM 1104 CD ARG A 74 1.770 -19.905 -3.722 1.00 25.00 C ATOM 1105 NE ARG A 74 1.614 -18.424 -3.686 1.00 25.00 N ATOM 1106 CZ ARG A 74 2.339 -17.711 -2.868 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.459 -18.191 -2.400 1.00 50.00 N ATOM 1108 NH2 ARG A 74 1.945 -16.516 -2.519 1.00 50.00 N ATOM 0 H ARG A 74 -0.447 -22.359 -1.997 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.418 -20.385 -1.817 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.773 -18.937 -2.974 1.00 25.00 H new ATOM 0 HB3 ARG A 74 0.010 -19.936 -1.765 1.00 25.00 H new ATOM 0 HG2 ARG A 74 0.480 -21.638 -3.660 1.00 25.00 H new ATOM 0 HG3 ARG A 74 -0.045 -20.402 -4.785 1.00 25.00 H new ATOM 0 HD2 ARG A 74 2.298 -20.247 -2.832 1.00 25.00 H new ATOM 0 HD3 ARG A 74 2.372 -20.197 -4.582 1.00 25.00 H new ATOM 0 HE ARG A 74 0.940 -17.967 -4.301 1.00 25.00 H new ATOM 0 HH11 ARG A 74 3.768 -19.124 -2.674 1.00 50.00 H new ATOM 0 HH12 ARG A 74 4.025 -17.633 -1.761 1.00 50.00 H new ATOM 0 HH21 ARG A 74 1.071 -16.140 -2.886 1.00 50.00 H new ATOM 0 HH22 ARG A 74 2.512 -15.959 -1.880 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.109 -21.651 -4.832 1.00 25.00 N ATOM 1123 CA GLY A 75 -2.787 -21.723 -6.152 1.00 25.00 C ATOM 1124 C GLY A 75 -4.264 -22.059 -5.942 1.00 25.00 C ATOM 1125 O GLY A 75 -5.122 -21.629 -6.686 1.00 25.00 O ATOM 0 H GLY A 75 -1.323 -22.290 -4.713 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -2.689 -20.773 -6.677 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.314 -22.482 -6.776 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.563 -22.826 -4.929 1.00 25.00 N ATOM 1130 CA LEU A 76 -5.984 -23.190 -4.667 1.00 25.00 C ATOM 1131 C LEU A 76 -6.775 -21.929 -4.323 1.00 25.00 C ATOM 1132 O LEU A 76 -7.882 -21.729 -4.783 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.055 -24.169 -3.492 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.761 -25.588 -3.986 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.828 -26.561 -2.807 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.798 -25.988 -5.038 1.00 50.00 C ATOM 0 H LEU A 76 -3.886 -23.215 -4.273 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.408 -23.658 -5.556 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.335 -23.884 -2.724 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.043 -24.130 -3.033 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.765 -25.620 -4.428 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.619 -27.572 -3.157 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.089 -26.276 -2.058 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.824 -26.529 -2.365 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.589 -26.998 -5.390 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.794 -25.956 -4.597 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.751 -25.295 -5.878 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.215 -21.080 -3.508 1.00 25.00 N ATOM 1149 CA LEU A 77 -6.926 -19.832 -3.120 1.00 25.00 C ATOM 1150 C LEU A 77 -7.195 -18.983 -4.361 1.00 25.00 C ATOM 1151 O LEU A 77 -8.247 -18.393 -4.507 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.054 -19.043 -2.141 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.122 -19.678 -0.747 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -7.430 -19.272 -0.066 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -6.059 -21.204 -0.857 1.00 50.00 C ATOM 0 H LEU A 77 -5.291 -21.198 -3.092 1.00 25.00 H new ATOM 0 HA LEU A 77 -7.875 -20.085 -2.648 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.022 -19.027 -2.492 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.391 -18.007 -2.095 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.274 -19.329 -0.157 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -7.479 -19.723 0.925 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -7.470 -18.187 0.027 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -8.274 -19.617 -0.664 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.108 -21.643 0.139 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -6.899 -21.561 -1.453 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -5.125 -21.496 -1.336 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.252 -18.915 -5.256 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.449 -18.101 -6.488 1.00 25.00 C ATOM 1169 C LYS A 78 -7.597 -18.686 -7.312 1.00 25.00 C ATOM 1170 O LYS A 78 -8.336 -17.972 -7.961 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.166 -18.117 -7.322 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.077 -17.322 -6.598 1.00 25.00 C ATOM 1173 CD LYS A 78 -2.889 -17.111 -7.539 1.00 50.00 C ATOM 1174 CE LYS A 78 -3.387 -16.550 -8.872 1.00 50.00 C ATOM 1175 NZ LYS A 78 -2.460 -15.480 -9.338 1.00 50.00 N ATOM 0 H LYS A 78 -5.351 -19.388 -5.189 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.689 -17.075 -6.208 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -4.836 -19.144 -7.482 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.353 -17.686 -8.305 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.471 -16.360 -6.271 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.756 -17.856 -5.704 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -2.172 -16.424 -7.089 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.368 -18.055 -7.701 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -3.444 -17.346 -9.615 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -4.394 -16.149 -8.757 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -2.798 -15.098 -10.244 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -2.427 -14.717 -8.632 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.507 -15.877 -9.464 1.00 50.00 H new ATOM 1189 N ASP A 79 -7.751 -19.980 -7.293 1.00 25.00 N ATOM 1190 CA ASP A 79 -8.849 -20.610 -8.077 1.00 25.00 C ATOM 1191 C ASP A 79 -10.170 -20.454 -7.324 1.00 25.00 C ATOM 1192 O ASP A 79 -11.168 -20.039 -7.878 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.548 -22.097 -8.276 1.00 25.00 C ATOM 1194 CG ASP A 79 -9.666 -22.739 -9.100 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -10.703 -22.113 -9.242 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -9.466 -23.844 -9.573 1.00 50.00 O ATOM 0 H ASP A 79 -7.164 -20.629 -6.769 1.00 25.00 H new ATOM 0 HA ASP A 79 -8.925 -20.122 -9.049 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -7.591 -22.220 -8.783 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -8.463 -22.594 -7.310 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.183 -20.788 -6.066 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.436 -20.666 -5.270 1.00 25.00 C ATOM 1203 C VAL A 80 -11.841 -19.197 -5.167 1.00 25.00 C ATOM 1204 O VAL A 80 -12.991 -18.841 -5.326 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.196 -21.233 -3.867 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.446 -20.210 -3.006 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.541 -21.559 -3.216 1.00 50.00 C ATOM 0 H VAL A 80 -9.377 -21.142 -5.551 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.235 -21.222 -5.760 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.595 -22.139 -3.946 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.281 -20.623 -2.011 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.486 -19.980 -3.468 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.038 -19.298 -2.926 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.374 -21.963 -2.217 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.140 -20.651 -3.145 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.069 -22.296 -3.821 1.00 50.00 H new ATOM 1217 N ALA A 81 -10.896 -18.349 -4.893 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.205 -16.897 -4.768 1.00 25.00 C ATOM 1219 C ALA A 81 -12.018 -16.435 -5.978 1.00 25.00 C ATOM 1220 O ALA A 81 -12.937 -15.649 -5.857 1.00 25.00 O ATOM 1221 CB ALA A 81 -9.900 -16.102 -4.697 1.00 50.00 C ATOM 0 H ALA A 81 -9.917 -18.597 -4.749 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.784 -16.730 -3.860 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.126 -15.040 -4.606 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.323 -16.426 -3.831 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.320 -16.273 -5.604 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.684 -16.910 -7.144 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.434 -16.490 -8.363 1.00 25.00 C ATOM 1229 C LYS A 82 -13.841 -17.087 -8.331 1.00 25.00 C ATOM 1230 O LYS A 82 -14.761 -16.565 -8.930 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.698 -16.987 -9.609 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.332 -16.306 -9.704 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.699 -16.619 -11.061 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.220 -16.231 -11.036 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.712 -16.117 -12.434 1.00 50.00 N ATOM 0 H LYS A 82 -10.924 -17.571 -7.308 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.503 -15.403 -8.389 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.574 -18.069 -9.563 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.286 -16.771 -10.501 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.442 -15.228 -9.582 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.684 -16.654 -8.900 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.804 -17.680 -11.287 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.216 -16.073 -11.850 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.090 -15.284 -10.512 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -7.646 -16.979 -10.489 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.706 -15.853 -12.417 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.822 -17.030 -12.919 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.253 -15.388 -12.942 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.017 -18.179 -7.641 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.365 -18.810 -7.576 1.00 25.00 C ATOM 1251 C ILE A 83 -16.333 -17.875 -6.854 1.00 25.00 C ATOM 1252 O ILE A 83 -17.452 -17.672 -7.281 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.268 -20.135 -6.819 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.178 -21.004 -7.451 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -16.612 -20.862 -6.893 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.280 -22.430 -6.906 1.00 50.00 C ATOM 0 H ILE A 83 -13.286 -18.662 -7.119 1.00 25.00 H new ATOM 0 HA ILE A 83 -15.731 -18.995 -8.586 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.017 -19.943 -5.776 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.286 -21.010 -8.536 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.194 -20.589 -7.231 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -16.545 -21.807 -6.354 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.387 -20.241 -6.442 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -16.864 -21.056 -7.936 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -13.503 -23.048 -7.357 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.150 -22.416 -5.824 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.259 -22.843 -7.149 1.00 50.00 H new ATOM 1268 N PHE A 84 -15.911 -17.306 -5.762 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.805 -16.382 -5.008 1.00 25.00 C ATOM 1270 C PHE A 84 -16.664 -14.965 -5.568 1.00 25.00 C ATOM 1271 O PHE A 84 -15.962 -14.806 -6.554 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.414 -16.388 -3.529 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.608 -17.774 -2.963 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -15.664 -18.774 -3.220 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -17.735 -18.059 -2.182 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -15.844 -20.060 -2.695 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -17.915 -19.345 -1.658 1.00 50.00 C ATOM 1278 CZ PHE A 84 -16.971 -20.344 -1.914 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.259 -14.064 -5.002 1.00 99.99 O ATOM 0 H PHE A 84 -14.985 -17.440 -5.357 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.839 -16.712 -5.112 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.375 -16.079 -3.415 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.022 -15.670 -2.978 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -14.796 -18.554 -3.824 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.465 -17.288 -1.984 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.114 -20.832 -2.892 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -18.784 -19.565 -1.056 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.111 -21.335 -1.509 1.00 50.00 H new