USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=11 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+ -103:sc= 0.0329 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.41! C(o=-3.4!,f=-6.3!) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0.894 (180deg=0.492!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 130:sc= -0.946 USER MOD Single : A 40 SER OG : rot -68:sc= 1.04 USER MOD Single : A 42 THR OG1 : rot -130:sc= 0.134 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.483 K(o=-0.48,f=-1.2) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 171:sc= -9.89! (180deg=-10.2!) USER MOD Single : A 55 THR OG1 : rot -18:sc= -3.13! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 67 THR OG1 : rot 79:sc= 0.393 USER MOD Single : A 73 ASN : amide:sc= -2.71! C(o=-2.7!,f=-3.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= 0.613 (180deg=0.574) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.478 -10.461 -0.138 1.00 16.66 N ATOM 86 CA ASP A 7 -2.110 -11.802 -0.275 1.00 16.66 C ATOM 87 C ASP A 7 -3.089 -12.024 0.878 1.00 16.66 C ATOM 88 O ASP A 7 -4.178 -12.531 0.692 1.00 16.66 O ATOM 89 CB ASP A 7 -1.026 -12.881 -0.242 1.00 16.66 C ATOM 90 CG ASP A 7 -0.158 -12.769 -1.497 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.610 -12.163 -2.455 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.945 -13.291 -1.479 1.00 50.00 O ATOM 0 HA ASP A 7 -2.647 -11.857 -1.222 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.411 -12.766 0.650 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.483 -13.869 -0.190 1.00 16.66 H new ATOM 97 N LYS A 8 -2.711 -11.646 2.065 1.00 16.66 N ATOM 98 CA LYS A 8 -3.620 -11.833 3.229 1.00 16.66 C ATOM 99 C LYS A 8 -4.981 -11.217 2.910 1.00 16.66 C ATOM 100 O LYS A 8 -6.014 -11.741 3.277 1.00 16.66 O ATOM 101 CB LYS A 8 -3.023 -11.147 4.459 1.00 16.66 C ATOM 102 CG LYS A 8 -2.072 -12.114 5.164 1.00 16.66 C ATOM 103 CD LYS A 8 -1.942 -11.720 6.638 1.00 16.66 C ATOM 104 CE LYS A 8 -0.842 -12.558 7.297 1.00 50.00 C ATOM 105 NZ LYS A 8 0.085 -11.663 8.044 1.00 50.00 N ATOM 0 H LYS A 8 -1.812 -11.215 2.280 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.740 -12.897 3.432 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.489 -10.244 4.163 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.817 -10.839 5.139 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.447 -13.134 5.081 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -1.094 -12.094 4.684 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.705 -10.659 6.722 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.890 -11.877 7.152 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -1.284 -13.289 7.975 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.293 -13.117 6.539 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 0.832 -12.232 8.491 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.516 -10.982 7.386 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 -0.444 -11.149 8.777 1.00 50.00 H new ATOM 119 N ALA A 9 -4.990 -10.110 2.223 1.00 16.66 N ATOM 120 CA ALA A 9 -6.284 -9.465 1.874 1.00 16.66 C ATOM 121 C ALA A 9 -7.126 -10.457 1.079 1.00 16.66 C ATOM 122 O ALA A 9 -8.302 -10.633 1.326 1.00 16.66 O ATOM 123 CB ALA A 9 -6.027 -8.215 1.030 1.00 16.66 C ATOM 0 H ALA A 9 -4.158 -9.625 1.888 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.811 -9.175 2.783 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.977 -7.745 0.776 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.415 -7.513 1.596 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.505 -8.495 0.115 1.00 16.66 H new ATOM 129 N GLU A 10 -6.524 -11.115 0.130 1.00 16.66 N ATOM 130 CA GLU A 10 -7.280 -12.108 -0.680 1.00 16.66 C ATOM 131 C GLU A 10 -7.681 -13.275 0.220 1.00 16.66 C ATOM 132 O GLU A 10 -8.808 -13.729 0.204 1.00 16.66 O ATOM 133 CB GLU A 10 -6.397 -12.617 -1.820 1.00 16.66 C ATOM 134 CG GLU A 10 -5.832 -11.426 -2.598 1.00 16.66 C ATOM 135 CD GLU A 10 -5.093 -11.931 -3.838 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.704 -13.088 -3.841 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.929 -11.153 -4.763 1.00 16.66 O ATOM 0 H GLU A 10 -5.541 -11.008 -0.120 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.172 -11.643 -1.100 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.584 -13.224 -1.421 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.976 -13.258 -2.485 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.638 -10.754 -2.891 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.154 -10.853 -1.965 1.00 16.66 H new ATOM 144 N ARG A 11 -6.765 -13.758 1.010 1.00 16.66 N ATOM 145 CA ARG A 11 -7.082 -14.890 1.921 1.00 16.66 C ATOM 146 C ARG A 11 -8.133 -14.443 2.937 1.00 16.66 C ATOM 147 O ARG A 11 -9.036 -15.179 3.280 1.00 16.66 O ATOM 148 CB ARG A 11 -5.813 -15.310 2.659 1.00 16.66 C ATOM 149 CG ARG A 11 -4.869 -16.017 1.685 1.00 16.66 C ATOM 150 CD ARG A 11 -3.836 -16.822 2.472 1.00 50.00 C ATOM 151 NE ARG A 11 -2.528 -16.784 1.759 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.000 -17.887 1.305 1.00 50.00 C ATOM 153 NH1 ARG A 11 -2.118 -18.197 0.043 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.353 -18.680 2.113 1.00 50.00 N ATOM 0 H ARG A 11 -5.806 -13.415 1.064 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.467 -15.730 1.343 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.323 -14.436 3.088 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -6.063 -15.974 3.487 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.435 -16.676 1.027 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.369 -15.285 1.050 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.727 -16.411 3.476 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.171 -17.853 2.584 1.00 50.00 H new ATOM 0 HE ARG A 11 -2.045 -15.895 1.626 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -2.623 -17.577 -0.589 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -1.705 -19.060 -0.311 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -1.260 -18.438 3.099 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -0.940 -19.543 1.759 1.00 50.00 H new ATOM 168 N GLU A 12 -8.019 -13.238 3.413 1.00 16.66 N ATOM 169 CA GLU A 12 -9.008 -12.729 4.403 1.00 16.66 C ATOM 170 C GLU A 12 -10.374 -12.617 3.732 1.00 16.66 C ATOM 171 O GLU A 12 -11.390 -12.954 4.306 1.00 16.66 O ATOM 172 CB GLU A 12 -8.567 -11.352 4.904 1.00 16.66 C ATOM 173 CG GLU A 12 -7.732 -11.514 6.175 1.00 16.66 C ATOM 174 CD GLU A 12 -7.624 -10.167 6.890 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.380 -9.273 6.547 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.786 -10.052 7.771 1.00 50.00 O ATOM 0 H GLU A 12 -7.282 -12.580 3.159 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.070 -13.415 5.248 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.984 -10.843 4.136 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.439 -10.730 5.106 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -8.192 -12.251 6.833 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.738 -11.886 5.925 1.00 16.66 H new ATOM 183 N ARG A 13 -10.406 -12.151 2.516 1.00 16.66 N ATOM 184 CA ARG A 13 -11.706 -12.025 1.800 1.00 16.66 C ATOM 185 C ARG A 13 -12.262 -13.421 1.529 1.00 16.66 C ATOM 186 O ARG A 13 -13.444 -13.668 1.665 1.00 16.66 O ATOM 187 CB ARG A 13 -11.493 -11.290 0.476 1.00 16.66 C ATOM 188 CG ARG A 13 -11.319 -9.794 0.745 1.00 16.66 C ATOM 189 CD ARG A 13 -10.661 -9.132 -0.468 1.00 16.66 C ATOM 190 NE ARG A 13 -11.693 -8.392 -1.248 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.467 -8.077 -2.494 1.00 50.00 C ATOM 192 NH1 ARG A 13 -12.022 -8.767 -3.452 1.00 50.00 N ATOM 193 NH2 ARG A 13 -10.688 -7.070 -2.781 1.00 50.00 N ATOM 0 H ARG A 13 -9.588 -11.851 1.986 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.411 -11.461 2.412 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.613 -11.683 -0.033 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.344 -11.455 -0.185 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -12.287 -9.334 0.943 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.706 -9.642 1.633 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.876 -8.449 -0.142 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.187 -9.887 -1.095 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.576 -8.132 -0.808 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -12.632 -9.553 -3.227 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -11.845 -8.521 -4.426 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -10.256 -6.530 -2.031 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -10.511 -6.823 -3.755 1.00 50.00 H new ATOM 207 N ILE A 14 -11.415 -14.337 1.157 1.00 16.66 N ATOM 208 CA ILE A 14 -11.885 -15.722 0.886 1.00 16.66 C ATOM 209 C ILE A 14 -12.285 -16.378 2.208 1.00 16.66 C ATOM 210 O ILE A 14 -13.328 -16.994 2.317 1.00 16.66 O ATOM 211 CB ILE A 14 -10.754 -16.523 0.239 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.279 -15.800 -1.023 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.261 -17.917 -0.130 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.845 -16.227 -1.347 1.00 50.00 C ATOM 0 H ILE A 14 -10.414 -14.186 1.029 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.742 -15.699 0.213 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.925 -16.615 0.940 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.937 -16.035 -1.859 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.324 -14.721 -0.875 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.455 -18.487 -0.591 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.600 -18.431 0.769 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.090 -17.829 -0.832 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.506 -15.712 -2.246 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.192 -15.969 -0.513 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.815 -17.304 -1.513 1.00 50.00 H new ATOM 226 N PHE A 15 -11.467 -16.243 3.216 1.00 16.66 N ATOM 227 CA PHE A 15 -11.807 -16.853 4.530 1.00 16.66 C ATOM 228 C PHE A 15 -13.041 -16.156 5.101 1.00 16.66 C ATOM 229 O PHE A 15 -13.880 -16.771 5.729 1.00 16.66 O ATOM 230 CB PHE A 15 -10.633 -16.692 5.499 1.00 16.66 C ATOM 231 CG PHE A 15 -10.980 -17.367 6.805 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.656 -16.659 7.805 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.633 -18.708 7.011 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.986 -17.293 9.011 1.00 16.66 C ATOM 235 CE2 PHE A 15 -10.960 -19.340 8.216 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.637 -18.633 9.217 1.00 16.66 C ATOM 0 H PHE A 15 -10.581 -15.738 3.186 1.00 16.66 H new ATOM 0 HA PHE A 15 -12.012 -17.915 4.395 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.731 -17.133 5.075 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.423 -15.635 5.665 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -11.923 -15.625 7.648 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.112 -19.255 6.239 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.510 -16.747 9.782 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.690 -20.374 8.374 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.890 -19.121 10.147 1.00 16.66 H new ATOM 246 N LYS A 16 -13.160 -14.876 4.884 1.00 16.66 N ATOM 247 CA LYS A 16 -14.343 -14.139 5.409 1.00 16.66 C ATOM 248 C LYS A 16 -15.606 -14.665 4.727 1.00 16.66 C ATOM 249 O LYS A 16 -16.675 -14.683 5.306 1.00 16.66 O ATOM 250 CB LYS A 16 -14.187 -12.646 5.115 1.00 50.00 C ATOM 251 CG LYS A 16 -13.325 -11.999 6.202 1.00 50.00 C ATOM 252 CD LYS A 16 -13.378 -10.477 6.055 1.00 50.00 C ATOM 253 CE LYS A 16 -12.430 -9.834 7.069 1.00 50.00 C ATOM 254 NZ LYS A 16 -11.573 -8.829 6.379 1.00 50.00 N ATOM 0 H LYS A 16 -12.489 -14.308 4.366 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.419 -14.288 6.486 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.726 -12.503 4.138 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.166 -12.167 5.079 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.684 -12.293 7.189 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.295 -12.347 6.120 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -13.095 -10.189 5.043 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.396 -10.121 6.215 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -13.001 -9.356 7.865 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.809 -10.597 7.537 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -10.623 -9.226 6.231 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -11.994 -8.586 5.460 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -11.503 -7.972 6.964 1.00 50.00 H new ATOM 268 N ARG A 17 -15.493 -15.098 3.502 1.00 16.66 N ATOM 269 CA ARG A 17 -16.686 -15.629 2.786 1.00 16.66 C ATOM 270 C ARG A 17 -17.043 -17.003 3.353 1.00 16.66 C ATOM 271 O ARG A 17 -18.196 -17.380 3.419 1.00 16.66 O ATOM 272 CB ARG A 17 -16.373 -15.754 1.295 1.00 16.66 C ATOM 273 CG ARG A 17 -16.326 -14.360 0.669 1.00 16.66 C ATOM 274 CD ARG A 17 -16.367 -14.481 -0.855 1.00 50.00 C ATOM 275 NE ARG A 17 -15.578 -13.372 -1.460 1.00 50.00 N ATOM 276 CZ ARG A 17 -15.464 -13.282 -2.756 1.00 50.00 C ATOM 277 NH1 ARG A 17 -14.291 -13.383 -3.317 1.00 50.00 N ATOM 278 NH2 ARG A 17 -16.525 -13.091 -3.493 1.00 50.00 N ATOM 0 H ARG A 17 -14.625 -15.107 2.966 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.527 -14.949 2.921 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.418 -16.261 1.154 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.132 -16.361 0.802 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.169 -13.764 1.019 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.419 -13.842 0.979 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.960 -15.443 -1.166 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.398 -14.443 -1.206 1.00 50.00 H new ATOM 0 HE ARG A 17 -15.126 -12.682 -0.860 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.462 -13.533 -2.742 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -14.203 -13.313 -4.331 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -17.443 -13.012 -3.055 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -16.436 -13.021 -4.507 1.00 50.00 H new ATOM 292 N PHE A 18 -16.060 -17.753 3.767 1.00 16.66 N ATOM 293 CA PHE A 18 -16.340 -19.102 4.334 1.00 16.66 C ATOM 294 C PHE A 18 -16.994 -18.947 5.706 1.00 16.66 C ATOM 295 O PHE A 18 -17.967 -19.603 6.019 1.00 16.66 O ATOM 296 CB PHE A 18 -15.032 -19.883 4.473 1.00 16.66 C ATOM 297 CG PHE A 18 -14.645 -20.460 3.131 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.356 -21.545 2.606 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.577 -19.909 2.414 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.998 -22.081 1.363 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.218 -20.445 1.171 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.929 -21.530 0.646 1.00 16.66 C ATOM 0 H PHE A 18 -15.075 -17.490 3.737 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.012 -19.645 3.669 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.242 -19.228 4.841 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.149 -20.683 5.204 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.181 -21.969 3.160 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.030 -19.071 2.819 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.546 -22.919 0.958 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.393 -20.021 0.618 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.653 -21.943 -0.313 1.00 16.66 H new ATOM 312 N ASP A 19 -16.472 -18.080 6.525 1.00 16.66 N ATOM 313 CA ASP A 19 -17.070 -17.877 7.873 1.00 16.66 C ATOM 314 C ASP A 19 -18.497 -17.343 7.705 1.00 16.66 C ATOM 315 O ASP A 19 -18.702 -16.187 7.390 1.00 16.66 O ATOM 316 CB ASP A 19 -16.224 -16.875 8.664 1.00 16.66 C ATOM 317 CG ASP A 19 -16.473 -17.077 10.153 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.247 -17.956 10.478 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.881 -16.358 10.941 1.00 16.66 O ATOM 0 H ASP A 19 -15.657 -17.502 6.320 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.095 -18.821 8.417 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.167 -17.014 8.437 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.480 -15.856 8.375 1.00 16.66 H new ATOM 324 N ALA A 20 -19.483 -18.181 7.885 1.00 16.66 N ATOM 325 CA ALA A 20 -20.897 -17.734 7.707 1.00 16.66 C ATOM 326 C ALA A 20 -21.278 -16.671 8.743 1.00 16.66 C ATOM 327 O ALA A 20 -21.779 -15.619 8.398 1.00 16.66 O ATOM 328 CB ALA A 20 -21.829 -18.938 7.856 1.00 50.00 C ATOM 0 H ALA A 20 -19.370 -19.160 8.149 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.996 -17.297 6.713 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.862 -18.616 7.727 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.584 -19.684 7.100 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.706 -19.373 8.848 1.00 50.00 H new ATOM 334 N ASN A 21 -21.061 -16.925 10.007 1.00 16.66 N ATOM 335 CA ASN A 21 -21.439 -15.905 11.027 1.00 16.66 C ATOM 336 C ASN A 21 -20.275 -14.934 11.237 1.00 16.66 C ATOM 337 O ASN A 21 -20.459 -13.813 11.669 1.00 16.66 O ATOM 338 CB ASN A 21 -21.818 -16.589 12.348 1.00 16.66 C ATOM 339 CG ASN A 21 -20.602 -17.267 12.984 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.708 -17.708 12.290 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.563 -17.362 14.284 1.00 16.66 N ATOM 0 H ASN A 21 -20.645 -17.781 10.373 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.305 -15.346 10.673 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.230 -15.852 13.038 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.598 -17.329 12.168 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.770 -17.814 14.739 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.326 -16.984 14.846 1.00 16.66 H new ATOM 348 N GLY A 22 -19.082 -15.347 10.915 1.00 16.66 N ATOM 349 CA GLY A 22 -17.913 -14.439 11.074 1.00 16.66 C ATOM 350 C GLY A 22 -17.414 -14.467 12.520 1.00 16.66 C ATOM 351 O GLY A 22 -17.085 -13.446 13.090 1.00 16.66 O ATOM 0 H GLY A 22 -18.866 -16.274 10.549 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.113 -14.743 10.400 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.193 -13.422 10.798 1.00 16.66 H new ATOM 355 N ASP A 23 -17.340 -15.625 13.115 1.00 16.66 N ATOM 356 CA ASP A 23 -16.841 -15.699 14.517 1.00 16.66 C ATOM 357 C ASP A 23 -15.358 -16.078 14.506 1.00 16.66 C ATOM 358 O ASP A 23 -14.752 -16.286 15.539 1.00 16.66 O ATOM 359 CB ASP A 23 -17.646 -16.728 15.320 1.00 16.66 C ATOM 360 CG ASP A 23 -17.513 -18.121 14.700 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.111 -18.208 13.554 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.826 -19.080 15.386 1.00 16.66 O ATOM 0 H ASP A 23 -17.601 -16.517 12.695 1.00 16.66 H new ATOM 0 HA ASP A 23 -16.963 -14.726 14.992 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.294 -16.748 16.351 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.696 -16.435 15.347 1.00 16.66 H new ATOM 367 N GLY A 24 -14.764 -16.150 13.343 1.00 16.66 N ATOM 368 CA GLY A 24 -13.316 -16.492 13.260 1.00 16.66 C ATOM 369 C GLY A 24 -13.132 -17.993 13.025 1.00 16.66 C ATOM 370 O GLY A 24 -12.041 -18.454 12.756 1.00 16.66 O ATOM 0 H GLY A 24 -15.222 -15.986 12.446 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.850 -15.931 12.450 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.813 -16.198 14.181 1.00 16.66 H new ATOM 374 N LYS A 25 -14.177 -18.767 13.132 1.00 16.66 N ATOM 375 CA LYS A 25 -14.032 -20.235 12.923 1.00 16.66 C ATOM 376 C LYS A 25 -15.069 -20.725 11.912 1.00 16.66 C ATOM 377 O LYS A 25 -16.209 -20.292 11.905 1.00 16.66 O ATOM 378 CB LYS A 25 -14.230 -20.966 14.256 1.00 50.00 C ATOM 379 CG LYS A 25 -15.711 -20.953 14.635 1.00 50.00 C ATOM 380 CD LYS A 25 -15.933 -21.862 15.846 1.00 50.00 C ATOM 381 CE LYS A 25 -17.433 -22.086 16.043 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.053 -22.475 14.746 1.00 50.00 N ATOM 0 H LYS A 25 -15.120 -18.448 13.354 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.033 -20.443 12.538 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -13.874 -21.993 14.175 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.641 -20.485 15.037 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.030 -19.937 14.866 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.316 -21.294 13.795 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.428 -22.816 15.696 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.501 -21.410 16.739 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.600 -22.866 16.786 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.900 -21.178 16.423 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.006 -22.854 14.917 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.117 -21.641 14.128 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.469 -23.202 14.286 1.00 50.00 H new ATOM 396 N ILE A 26 -14.678 -21.638 11.066 1.00 16.66 N ATOM 397 CA ILE A 26 -15.624 -22.181 10.055 1.00 16.66 C ATOM 398 C ILE A 26 -15.898 -23.654 10.357 1.00 16.66 C ATOM 399 O ILE A 26 -14.996 -24.423 10.627 1.00 16.66 O ATOM 400 CB ILE A 26 -15.011 -22.052 8.661 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.293 -20.706 8.543 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.118 -22.132 7.608 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.814 -20.510 7.104 1.00 16.66 C ATOM 0 H ILE A 26 -13.738 -22.032 11.033 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.558 -21.621 10.093 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.298 -22.861 8.501 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.965 -19.897 8.828 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.446 -20.672 9.228 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.681 -22.040 6.613 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.631 -23.090 7.692 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.831 -21.323 7.767 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.302 -19.551 7.018 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.127 -21.313 6.837 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.671 -20.526 6.430 1.00 16.66 H new ATOM 415 N SER A 27 -17.137 -24.051 10.312 1.00 16.66 N ATOM 416 CA SER A 27 -17.481 -25.471 10.592 1.00 16.66 C ATOM 417 C SER A 27 -17.884 -26.149 9.285 1.00 16.66 C ATOM 418 O SER A 27 -18.073 -25.500 8.274 1.00 16.66 O ATOM 419 CB SER A 27 -18.649 -25.526 11.578 1.00 50.00 C ATOM 420 OG SER A 27 -19.862 -25.260 10.889 1.00 50.00 O ATOM 0 H SER A 27 -17.931 -23.450 10.092 1.00 16.66 H new ATOM 0 HA SER A 27 -16.621 -25.983 11.024 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.694 -26.507 12.051 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.502 -24.795 12.374 1.00 50.00 H new ATOM 0 HG SER A 27 -20.611 -25.297 11.520 1.00 50.00 H new ATOM 426 N ALA A 28 -18.022 -27.444 9.289 1.00 16.66 N ATOM 427 CA ALA A 28 -18.419 -28.139 8.036 1.00 16.66 C ATOM 428 C ALA A 28 -19.653 -27.454 7.457 1.00 16.66 C ATOM 429 O ALA A 28 -19.715 -27.153 6.282 1.00 16.66 O ATOM 430 CB ALA A 28 -18.737 -29.605 8.339 1.00 50.00 C ATOM 0 H ALA A 28 -17.878 -28.047 10.099 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.602 -28.094 7.316 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -19.028 -30.112 7.419 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.855 -30.090 8.757 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.555 -29.659 9.057 1.00 50.00 H new ATOM 436 N ALA A 29 -20.636 -27.207 8.272 1.00 16.66 N ATOM 437 CA ALA A 29 -21.870 -26.542 7.771 1.00 16.66 C ATOM 438 C ALA A 29 -21.507 -25.208 7.117 1.00 16.66 C ATOM 439 O ALA A 29 -22.098 -24.811 6.133 1.00 16.66 O ATOM 440 CB ALA A 29 -22.830 -26.296 8.936 1.00 50.00 C ATOM 0 H ALA A 29 -20.640 -27.437 9.266 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.352 -27.186 7.035 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.733 -25.809 8.567 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.094 -27.248 9.397 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.349 -25.656 9.675 1.00 50.00 H new ATOM 446 N GLU A 30 -20.541 -24.515 7.650 1.00 16.66 N ATOM 447 CA GLU A 30 -20.151 -23.210 7.047 1.00 16.66 C ATOM 448 C GLU A 30 -19.277 -23.462 5.820 1.00 16.66 C ATOM 449 O GLU A 30 -19.553 -22.977 4.741 1.00 16.66 O ATOM 450 CB GLU A 30 -19.379 -22.377 8.074 1.00 16.66 C ATOM 451 CG GLU A 30 -20.292 -22.062 9.263 1.00 16.66 C ATOM 452 CD GLU A 30 -19.554 -21.155 10.254 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.524 -21.563 10.743 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.034 -20.072 10.508 1.00 16.66 O ATOM 0 H GLU A 30 -20.007 -24.793 8.473 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.046 -22.664 6.748 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.498 -22.922 8.412 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -19.026 -21.452 7.617 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.202 -21.573 8.916 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.595 -22.986 9.756 1.00 16.66 H new ATOM 461 N LEU A 31 -18.229 -24.218 5.973 1.00 16.66 N ATOM 462 CA LEU A 31 -17.342 -24.501 4.812 1.00 16.66 C ATOM 463 C LEU A 31 -18.146 -25.245 3.747 1.00 16.66 C ATOM 464 O LEU A 31 -18.046 -24.966 2.568 1.00 16.66 O ATOM 465 CB LEU A 31 -16.168 -25.368 5.274 1.00 16.66 C ATOM 466 CG LEU A 31 -15.068 -25.362 4.209 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.849 -26.127 4.731 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.581 -26.036 2.935 1.00 16.66 C ATOM 0 H LEU A 31 -17.947 -24.653 6.852 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.958 -23.569 4.397 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.775 -24.991 6.218 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.506 -26.388 5.455 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.787 -24.332 3.987 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -13.065 -26.123 3.973 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.480 -25.648 5.638 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -14.133 -27.155 4.954 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.796 -26.030 2.179 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.864 -27.065 3.156 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -16.449 -25.494 2.561 1.00 16.66 H new ATOM 480 N GLY A 32 -18.950 -26.186 4.156 1.00 16.66 N ATOM 481 CA GLY A 32 -19.769 -26.944 3.173 1.00 16.66 C ATOM 482 C GLY A 32 -20.747 -25.986 2.496 1.00 16.66 C ATOM 483 O GLY A 32 -20.911 -25.997 1.292 1.00 16.66 O ATOM 0 H GLY A 32 -19.075 -26.462 5.130 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -19.125 -27.413 2.429 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.313 -27.745 3.674 1.00 16.66 H new ATOM 487 N GLU A 33 -21.399 -25.157 3.261 1.00 16.66 N ATOM 488 CA GLU A 33 -22.366 -24.197 2.664 1.00 16.66 C ATOM 489 C GLU A 33 -21.659 -23.359 1.605 1.00 16.66 C ATOM 490 O GLU A 33 -22.178 -23.131 0.531 1.00 16.66 O ATOM 491 CB GLU A 33 -22.918 -23.281 3.756 1.00 50.00 C ATOM 492 CG GLU A 33 -24.261 -23.823 4.249 1.00 50.00 C ATOM 493 CD GLU A 33 -24.940 -22.776 5.133 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.428 -21.672 5.211 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.960 -23.097 5.720 1.00 50.00 O ATOM 0 H GLU A 33 -21.304 -25.103 4.275 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.187 -24.747 2.205 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.213 -23.220 4.585 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.042 -22.270 3.368 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.900 -24.068 3.401 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -24.109 -24.745 4.810 1.00 50.00 H new ATOM 502 N ALA A 34 -20.471 -22.910 1.890 1.00 16.66 N ATOM 503 CA ALA A 34 -19.730 -22.102 0.889 1.00 16.66 C ATOM 504 C ALA A 34 -19.262 -23.032 -0.225 1.00 16.66 C ATOM 505 O ALA A 34 -19.294 -22.696 -1.392 1.00 16.66 O ATOM 506 CB ALA A 34 -18.521 -21.444 1.555 1.00 50.00 C ATOM 0 H ALA A 34 -19.983 -23.068 2.771 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.374 -21.323 0.481 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.978 -20.851 0.819 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.859 -20.797 2.364 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.863 -22.214 1.957 1.00 50.00 H new ATOM 512 N LEU A 35 -18.825 -24.205 0.136 1.00 99.99 N ATOM 513 CA LEU A 35 -18.350 -25.174 -0.887 1.00 99.99 C ATOM 514 C LEU A 35 -19.479 -25.476 -1.871 1.00 99.99 C ATOM 515 O LEU A 35 -19.246 -25.705 -3.041 1.00 99.99 O ATOM 516 CB LEU A 35 -17.912 -26.469 -0.200 1.00 99.99 C ATOM 517 CG LEU A 35 -16.393 -26.612 -0.309 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.936 -27.828 0.497 1.00 99.99 C ATOM 519 CD2 LEU A 35 -16.003 -26.798 -1.777 1.00 99.99 C ATOM 0 H LEU A 35 -18.776 -24.535 1.100 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.505 -24.745 -1.426 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.213 -26.458 0.847 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -18.403 -27.324 -0.664 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.914 -25.715 0.084 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.854 -27.930 0.419 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.214 -27.697 1.543 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -16.414 -28.725 0.104 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.921 -26.900 -1.856 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -16.482 -27.695 -2.170 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -16.329 -25.932 -2.353 1.00 99.99 H new ATOM 531 N LYS A 36 -20.702 -25.482 -1.413 1.00 99.99 N ATOM 532 CA LYS A 36 -21.836 -25.774 -2.333 1.00 99.99 C ATOM 533 C LYS A 36 -21.644 -25.007 -3.641 1.00 99.99 C ATOM 534 O LYS A 36 -22.123 -25.407 -4.684 1.00 99.99 O ATOM 535 CB LYS A 36 -23.150 -25.343 -1.677 1.00 99.99 C ATOM 536 CG LYS A 36 -24.009 -26.577 -1.397 1.00 99.99 C ATOM 537 CD LYS A 36 -25.238 -26.170 -0.582 1.00 99.99 C ATOM 538 CE LYS A 36 -25.327 -27.035 0.676 1.00 99.99 C ATOM 539 NZ LYS A 36 -25.788 -28.403 0.307 1.00 99.99 N ATOM 0 H LYS A 36 -20.963 -25.298 -0.444 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.867 -26.843 -2.541 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.947 -24.810 -0.748 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.686 -24.654 -2.330 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.318 -27.038 -2.335 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.428 -27.321 -0.852 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.173 -25.117 -0.308 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -26.140 -26.288 -1.182 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.354 -27.087 1.164 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -26.018 -26.587 1.390 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.849 -28.991 1.162 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -26.725 -28.345 -0.140 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -25.112 -28.829 -0.359 1.00 99.99 H new ATOM 553 N THR A 37 -20.946 -23.906 -3.596 1.00 99.99 N ATOM 554 CA THR A 37 -20.721 -23.115 -4.836 1.00 99.99 C ATOM 555 C THR A 37 -20.243 -24.050 -5.944 1.00 99.99 C ATOM 556 O THR A 37 -20.406 -23.780 -7.117 1.00 99.99 O ATOM 557 CB THR A 37 -19.659 -22.045 -4.570 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.663 -21.102 -5.633 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.281 -22.702 -4.471 1.00 99.99 C ATOM 0 H THR A 37 -20.522 -23.520 -2.752 1.00 99.99 H new ATOM 0 HA THR A 37 -21.649 -22.632 -5.141 1.00 99.99 H new ATOM 0 HB THR A 37 -19.882 -21.536 -3.632 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.707 -20.195 -5.265 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.527 -21.938 -4.282 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.280 -23.424 -3.654 1.00 99.99 H new ATOM 0 HG23 THR A 37 -18.053 -23.213 -5.407 1.00 99.99 H new ATOM 567 N LEU A 38 -19.658 -25.154 -5.575 1.00 16.66 N ATOM 568 CA LEU A 38 -19.170 -26.116 -6.601 1.00 16.66 C ATOM 569 C LEU A 38 -20.368 -26.709 -7.343 1.00 16.66 C ATOM 570 O LEU A 38 -20.287 -27.042 -8.509 1.00 16.66 O ATOM 571 CB LEU A 38 -18.388 -27.241 -5.918 1.00 50.00 C ATOM 572 CG LEU A 38 -17.027 -26.714 -5.461 1.00 50.00 C ATOM 573 CD1 LEU A 38 -16.167 -27.880 -4.970 1.00 50.00 C ATOM 574 CD2 LEU A 38 -16.327 -26.023 -6.632 1.00 50.00 C ATOM 0 H LEU A 38 -19.497 -25.432 -4.607 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.519 -25.599 -7.306 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.948 -27.620 -5.063 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -18.254 -28.075 -6.607 1.00 50.00 H new ATOM 0 HG LEU A 38 -17.169 -26.000 -4.650 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.197 -27.505 -4.644 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.665 -28.373 -4.135 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -16.026 -28.595 -5.781 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -15.357 -25.648 -6.306 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -16.186 -26.737 -7.444 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.939 -25.192 -6.982 1.00 50.00 H new ATOM 586 N GLY A 39 -21.480 -26.841 -6.675 1.00 16.66 N ATOM 587 CA GLY A 39 -22.687 -27.411 -7.337 1.00 16.66 C ATOM 588 C GLY A 39 -22.425 -28.874 -7.701 1.00 16.66 C ATOM 589 O GLY A 39 -23.200 -29.497 -8.400 1.00 16.66 O ATOM 0 H GLY A 39 -21.605 -26.578 -5.697 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.548 -27.339 -6.672 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.928 -26.839 -8.233 1.00 16.66 H new ATOM 593 N SER A 40 -21.339 -29.427 -7.235 1.00 16.66 N ATOM 594 CA SER A 40 -21.031 -30.847 -7.559 1.00 16.66 C ATOM 595 C SER A 40 -20.109 -31.429 -6.487 1.00 16.66 C ATOM 596 O SER A 40 -19.102 -32.038 -6.785 1.00 16.66 O ATOM 597 CB SER A 40 -20.337 -30.914 -8.920 1.00 16.66 C ATOM 598 OG SER A 40 -19.714 -32.181 -9.073 1.00 16.66 O ATOM 0 H SER A 40 -20.653 -28.957 -6.645 1.00 16.66 H new ATOM 0 HA SER A 40 -21.956 -31.423 -7.590 1.00 16.66 H new ATOM 0 HB2 SER A 40 -21.062 -30.755 -9.718 1.00 16.66 H new ATOM 0 HB3 SER A 40 -19.595 -30.120 -9.001 1.00 16.66 H new ATOM 0 HG SER A 40 -18.963 -32.254 -8.448 1.00 16.66 H new ATOM 604 N ILE A 41 -20.448 -31.251 -5.241 1.00 16.66 N ATOM 605 CA ILE A 41 -19.594 -31.801 -4.153 1.00 16.66 C ATOM 606 C ILE A 41 -20.481 -32.430 -3.077 1.00 16.66 C ATOM 607 O ILE A 41 -21.686 -32.271 -3.080 1.00 16.66 O ATOM 608 CB ILE A 41 -18.740 -30.677 -3.543 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.511 -31.284 -2.861 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.556 -29.893 -2.510 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.514 -30.174 -2.522 1.00 16.66 C ATOM 0 H ILE A 41 -21.279 -30.749 -4.929 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.932 -32.564 -4.562 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.426 -30.000 -4.338 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.808 -31.810 -1.954 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -17.044 -32.019 -3.517 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.940 -29.100 -2.086 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.429 -29.455 -2.993 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.880 -30.566 -1.716 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.639 -30.607 -2.036 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.208 -29.668 -3.438 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.984 -29.456 -1.850 1.00 16.66 H new ATOM 623 N THR A 42 -19.896 -33.144 -2.157 1.00 16.66 N ATOM 624 CA THR A 42 -20.702 -33.783 -1.080 1.00 16.66 C ATOM 625 C THR A 42 -20.187 -33.309 0.275 1.00 16.66 C ATOM 626 O THR A 42 -19.112 -32.750 0.378 1.00 16.66 O ATOM 627 CB THR A 42 -20.571 -35.317 -1.159 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.786 -35.787 -0.071 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.901 -35.725 -2.473 1.00 16.66 C ATOM 0 H THR A 42 -18.892 -33.313 -2.104 1.00 16.66 H new ATOM 0 HA THR A 42 -21.749 -33.506 -1.204 1.00 16.66 H new ATOM 0 HB THR A 42 -21.568 -35.755 -1.113 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.085 -36.384 -0.407 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.815 -36.811 -2.516 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.503 -35.376 -3.312 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.908 -35.280 -2.529 1.00 16.66 H new ATOM 637 N PRO A 43 -20.958 -33.561 1.336 1.00 16.66 N ATOM 638 CA PRO A 43 -20.563 -33.185 2.692 1.00 16.66 C ATOM 639 C PRO A 43 -19.395 -34.049 3.159 1.00 16.66 C ATOM 640 O PRO A 43 -18.545 -33.618 3.912 1.00 16.66 O ATOM 641 CB PRO A 43 -21.812 -33.476 3.525 1.00 50.00 C ATOM 642 CG PRO A 43 -22.544 -34.518 2.750 1.00 50.00 C ATOM 643 CD PRO A 43 -22.268 -34.233 1.300 1.00 50.00 C ATOM 0 HA PRO A 43 -20.234 -32.149 2.771 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.550 -33.833 4.521 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.419 -32.580 3.657 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.203 -35.517 3.022 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.613 -34.478 2.958 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.236 -35.148 0.708 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -23.036 -33.596 0.861 1.00 50.00 H new ATOM 651 N ASP A 44 -19.357 -35.276 2.713 1.00 16.66 N ATOM 652 CA ASP A 44 -18.255 -36.190 3.121 1.00 16.66 C ATOM 653 C ASP A 44 -16.912 -35.632 2.652 1.00 16.66 C ATOM 654 O ASP A 44 -15.891 -35.861 3.269 1.00 16.66 O ATOM 655 CB ASP A 44 -18.481 -37.568 2.496 1.00 50.00 C ATOM 656 CG ASP A 44 -19.745 -38.195 3.088 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.288 -37.619 4.016 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.148 -39.238 2.602 1.00 50.00 O ATOM 0 H ASP A 44 -20.045 -35.685 2.081 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.245 -36.276 4.208 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.580 -37.477 1.414 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.621 -38.210 2.685 1.00 50.00 H new ATOM 663 N GLU A 45 -16.894 -34.894 1.575 1.00 16.66 N ATOM 664 CA GLU A 45 -15.605 -34.325 1.096 1.00 16.66 C ATOM 665 C GLU A 45 -15.310 -33.068 1.905 1.00 16.66 C ATOM 666 O GLU A 45 -14.181 -32.782 2.250 1.00 16.66 O ATOM 667 CB GLU A 45 -15.717 -33.968 -0.388 1.00 16.66 C ATOM 668 CG GLU A 45 -16.036 -35.229 -1.194 1.00 16.66 C ATOM 669 CD GLU A 45 -15.950 -34.914 -2.689 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.694 -33.768 -3.018 1.00 16.66 O ATOM 671 OE2 GLU A 45 -16.143 -35.824 -3.478 1.00 16.66 O ATOM 0 H GLU A 45 -17.711 -34.662 1.010 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.803 -35.052 1.222 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.498 -33.222 -0.536 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.784 -33.526 -0.738 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -15.336 -36.024 -0.938 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -17.034 -35.590 -0.944 1.00 16.66 H new ATOM 678 N VAL A 46 -16.331 -32.324 2.222 1.00 16.66 N ATOM 679 CA VAL A 46 -16.132 -31.087 3.024 1.00 16.66 C ATOM 680 C VAL A 46 -15.630 -31.472 4.414 1.00 16.66 C ATOM 681 O VAL A 46 -14.834 -30.779 5.016 1.00 16.66 O ATOM 682 CB VAL A 46 -17.462 -30.347 3.150 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.318 -29.205 4.159 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.855 -29.779 1.787 1.00 50.00 C ATOM 0 H VAL A 46 -17.297 -32.520 1.960 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.403 -30.441 2.535 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.233 -31.037 3.493 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.267 -28.677 4.249 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.035 -29.611 5.130 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.549 -28.513 3.817 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.804 -29.250 1.873 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -17.084 -29.088 1.445 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.957 -30.593 1.069 1.00 50.00 H new ATOM 694 N LYS A 47 -16.087 -32.582 4.921 1.00 16.66 N ATOM 695 CA LYS A 47 -15.636 -33.027 6.268 1.00 16.66 C ATOM 696 C LYS A 47 -14.168 -33.444 6.186 1.00 16.66 C ATOM 697 O LYS A 47 -13.387 -33.187 7.081 1.00 16.66 O ATOM 698 CB LYS A 47 -16.483 -34.214 6.730 1.00 16.66 C ATOM 699 CG LYS A 47 -17.864 -33.717 7.160 1.00 16.66 C ATOM 700 CD LYS A 47 -18.702 -34.901 7.645 1.00 16.66 C ATOM 701 CE LYS A 47 -18.177 -35.376 9.001 1.00 50.00 C ATOM 702 NZ LYS A 47 -19.107 -34.934 10.079 1.00 50.00 N ATOM 0 H LYS A 47 -16.754 -33.201 4.460 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.749 -32.211 6.982 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.581 -34.941 5.923 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -15.993 -34.723 7.560 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -17.765 -32.977 7.955 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.361 -33.223 6.325 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -19.749 -34.609 7.730 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.656 -35.714 6.920 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -18.087 -36.462 9.007 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -17.180 -34.972 9.178 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -18.749 -35.257 11.000 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -19.172 -33.896 10.078 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.050 -35.340 9.912 1.00 50.00 H new ATOM 716 N HIS A 48 -13.788 -34.078 5.113 1.00 16.66 N ATOM 717 CA HIS A 48 -12.370 -34.504 4.967 1.00 16.66 C ATOM 718 C HIS A 48 -11.494 -33.263 4.802 1.00 16.66 C ATOM 719 O HIS A 48 -10.401 -33.189 5.329 1.00 16.66 O ATOM 720 CB HIS A 48 -12.224 -35.397 3.734 1.00 16.66 C ATOM 721 CG HIS A 48 -10.784 -35.802 3.580 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.181 -35.931 2.338 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.814 -36.110 4.501 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.903 -36.300 2.544 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.628 -36.424 3.845 1.00 50.00 N ATOM 0 H HIS A 48 -14.398 -34.319 4.332 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.062 -35.062 5.851 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.853 -36.281 3.835 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.561 -34.866 2.844 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.951 -36.109 5.572 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.188 -36.474 1.754 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.739 -36.692 4.267 1.00 50.00 H new ATOM 733 N MET A 49 -11.968 -32.282 4.082 1.00 16.66 N ATOM 734 CA MET A 49 -11.163 -31.048 3.896 1.00 16.66 C ATOM 735 C MET A 49 -10.943 -30.395 5.257 1.00 16.66 C ATOM 736 O MET A 49 -9.842 -30.028 5.615 1.00 16.66 O ATOM 737 CB MET A 49 -11.915 -30.086 2.980 1.00 16.66 C ATOM 738 CG MET A 49 -11.606 -30.425 1.522 1.00 16.66 C ATOM 739 SD MET A 49 -11.732 -28.928 0.513 1.00 16.66 S ATOM 740 CE MET A 49 -12.443 -29.706 -0.958 1.00 16.66 C ATOM 0 H MET A 49 -12.876 -32.285 3.617 1.00 16.66 H new ATOM 0 HA MET A 49 -10.201 -31.293 3.445 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.987 -30.157 3.162 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.623 -29.058 3.195 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.605 -30.848 1.440 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.302 -31.181 1.158 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.607 -28.950 -1.726 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.757 -30.464 -1.336 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.393 -30.173 -0.699 1.00 16.66 H new ATOM 750 N MET A 50 -11.988 -30.257 6.023 1.00 16.66 N ATOM 751 CA MET A 50 -11.847 -29.637 7.365 1.00 16.66 C ATOM 752 C MET A 50 -10.908 -30.490 8.215 1.00 16.66 C ATOM 753 O MET A 50 -10.008 -29.990 8.857 1.00 16.66 O ATOM 754 CB MET A 50 -13.219 -29.558 8.034 1.00 16.66 C ATOM 755 CG MET A 50 -13.881 -28.225 7.682 1.00 16.66 C ATOM 756 SD MET A 50 -15.266 -27.925 8.807 1.00 16.66 S ATOM 757 CE MET A 50 -14.289 -27.311 10.200 1.00 50.00 C ATOM 0 H MET A 50 -12.934 -30.548 5.776 1.00 16.66 H new ATOM 0 HA MET A 50 -11.436 -28.632 7.266 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.845 -30.386 7.703 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.114 -29.650 9.115 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.155 -27.415 7.757 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.233 -28.243 6.651 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.956 -26.910 10.964 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.704 -28.128 10.622 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.618 -26.524 9.855 1.00 50.00 H new ATOM 767 N ALA A 51 -11.107 -31.777 8.215 1.00 16.66 N ATOM 768 CA ALA A 51 -10.223 -32.669 9.018 1.00 16.66 C ATOM 769 C ALA A 51 -8.780 -32.521 8.533 1.00 16.66 C ATOM 770 O ALA A 51 -7.842 -32.850 9.230 1.00 16.66 O ATOM 771 CB ALA A 51 -10.673 -34.122 8.848 1.00 50.00 C ATOM 0 H ALA A 51 -11.844 -32.252 7.694 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.284 -32.392 10.071 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -10.027 -34.774 9.435 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.702 -34.227 9.191 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.611 -34.401 7.796 1.00 50.00 H new ATOM 777 N GLU A 52 -8.598 -32.021 7.341 1.00 16.66 N ATOM 778 CA GLU A 52 -7.218 -31.842 6.810 1.00 16.66 C ATOM 779 C GLU A 52 -6.759 -30.414 7.098 1.00 16.66 C ATOM 780 O GLU A 52 -5.605 -30.162 7.379 1.00 16.66 O ATOM 781 CB GLU A 52 -7.212 -32.088 5.300 1.00 16.66 C ATOM 782 CG GLU A 52 -7.103 -33.589 5.026 1.00 16.66 C ATOM 783 CD GLU A 52 -6.588 -33.811 3.603 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.465 -32.837 2.879 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.324 -34.953 3.260 1.00 16.66 O ATOM 0 H GLU A 52 -9.346 -31.729 6.712 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.543 -32.551 7.289 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.124 -31.692 4.853 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.376 -31.562 4.839 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.428 -34.053 5.745 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -8.076 -34.064 5.150 1.00 16.66 H new ATOM 792 N ILE A 53 -7.664 -29.480 7.032 1.00 16.66 N ATOM 793 CA ILE A 53 -7.305 -28.064 7.303 1.00 16.66 C ATOM 794 C ILE A 53 -7.297 -27.815 8.810 1.00 16.66 C ATOM 795 O ILE A 53 -6.548 -27.001 9.312 1.00 16.66 O ATOM 796 CB ILE A 53 -8.345 -27.162 6.649 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.342 -27.400 5.141 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.006 -25.705 6.948 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.458 -26.582 4.495 1.00 50.00 C ATOM 0 H ILE A 53 -8.644 -29.639 6.800 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.315 -27.850 6.899 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.335 -27.388 7.045 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.378 -27.117 4.719 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.484 -28.460 4.929 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.747 -25.056 6.482 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.010 -25.544 8.026 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.018 -25.472 6.550 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.457 -26.751 3.418 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.419 -26.887 4.909 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.296 -25.523 4.696 1.00 50.00 H new ATOM 811 N ASP A 54 -8.121 -28.514 9.534 1.00 16.66 N ATOM 812 CA ASP A 54 -8.173 -28.334 11.008 1.00 16.66 C ATOM 813 C ASP A 54 -6.794 -28.649 11.600 1.00 16.66 C ATOM 814 O ASP A 54 -6.418 -29.794 11.750 1.00 16.66 O ATOM 815 CB ASP A 54 -9.221 -29.299 11.566 1.00 16.66 C ATOM 816 CG ASP A 54 -9.787 -28.765 12.885 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.459 -27.648 13.237 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.550 -29.482 13.511 1.00 16.66 O ATOM 0 H ASP A 54 -8.768 -29.210 9.163 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.440 -27.309 11.266 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.026 -29.429 10.843 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.774 -30.280 11.725 1.00 16.66 H new ATOM 823 N THR A 55 -6.031 -27.637 11.919 1.00 16.66 N ATOM 824 CA THR A 55 -4.667 -27.871 12.478 1.00 16.66 C ATOM 825 C THR A 55 -4.757 -28.380 13.918 1.00 16.66 C ATOM 826 O THR A 55 -4.104 -29.336 14.288 1.00 16.66 O ATOM 827 CB THR A 55 -3.875 -26.561 12.458 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.577 -25.575 13.202 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.702 -26.088 11.014 1.00 50.00 C ATOM 0 H THR A 55 -6.294 -26.657 11.816 1.00 16.66 H new ATOM 0 HA THR A 55 -4.165 -28.621 11.867 1.00 16.66 H new ATOM 0 HB THR A 55 -2.893 -26.722 12.903 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.512 -25.849 13.308 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.138 -25.155 11.002 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.163 -26.846 10.445 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.682 -25.926 10.565 1.00 50.00 H new ATOM 837 N ASP A 56 -5.553 -27.752 14.733 1.00 16.66 N ATOM 838 CA ASP A 56 -5.669 -28.209 16.151 1.00 16.66 C ATOM 839 C ASP A 56 -6.699 -29.335 16.242 1.00 16.66 C ATOM 840 O ASP A 56 -6.601 -30.213 17.077 1.00 16.66 O ATOM 841 CB ASP A 56 -6.091 -27.044 17.055 1.00 16.66 C ATOM 842 CG ASP A 56 -7.069 -26.134 16.314 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.022 -26.652 15.761 1.00 16.66 O ATOM 844 OD2 ASP A 56 -6.849 -24.935 16.313 1.00 16.66 O ATOM 0 H ASP A 56 -6.127 -26.946 14.485 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.698 -28.575 16.485 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.556 -27.428 17.963 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.213 -26.475 17.362 1.00 16.66 H new ATOM 849 N GLY A 57 -7.680 -29.329 15.383 1.00 16.66 N ATOM 850 CA GLY A 57 -8.704 -30.412 15.417 1.00 16.66 C ATOM 851 C GLY A 57 -9.886 -30.000 16.300 1.00 16.66 C ATOM 852 O GLY A 57 -10.553 -30.834 16.878 1.00 16.66 O ATOM 0 H GLY A 57 -7.817 -28.623 14.660 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.053 -30.623 14.406 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.259 -31.331 15.799 1.00 16.66 H new ATOM 856 N ASP A 58 -10.155 -28.726 16.415 1.00 16.66 N ATOM 857 CA ASP A 58 -11.298 -28.293 17.268 1.00 16.66 C ATOM 858 C ASP A 58 -12.601 -28.392 16.467 1.00 16.66 C ATOM 859 O ASP A 58 -13.675 -28.161 16.983 1.00 16.66 O ATOM 860 CB ASP A 58 -11.079 -26.853 17.747 1.00 50.00 C ATOM 861 CG ASP A 58 -11.367 -25.877 16.608 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.877 -26.113 15.520 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.069 -24.909 16.845 1.00 50.00 O ATOM 0 H ASP A 58 -9.638 -27.974 15.960 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.364 -28.944 18.140 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -11.731 -26.639 18.594 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.053 -26.728 18.094 1.00 50.00 H new ATOM 868 N GLY A 59 -12.515 -28.753 15.213 1.00 16.66 N ATOM 869 CA GLY A 59 -13.752 -28.888 14.390 1.00 16.66 C ATOM 870 C GLY A 59 -13.959 -27.642 13.523 1.00 16.66 C ATOM 871 O GLY A 59 -14.842 -27.601 12.691 1.00 16.66 O ATOM 0 H GLY A 59 -11.644 -28.960 14.725 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.679 -29.771 13.756 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.615 -29.033 15.040 1.00 16.66 H new ATOM 875 N PHE A 60 -13.167 -26.623 13.713 1.00 16.66 N ATOM 876 CA PHE A 60 -13.349 -25.390 12.893 1.00 16.66 C ATOM 877 C PHE A 60 -12.009 -24.895 12.340 1.00 16.66 C ATOM 878 O PHE A 60 -10.943 -25.138 12.894 1.00 16.66 O ATOM 879 CB PHE A 60 -13.960 -24.283 13.752 1.00 50.00 C ATOM 880 CG PHE A 60 -15.157 -24.813 14.498 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.375 -24.991 13.832 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.051 -25.118 15.858 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.486 -25.478 14.527 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.163 -25.604 16.554 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.381 -25.785 15.889 1.00 50.00 C ATOM 0 H PHE A 60 -12.408 -26.589 14.394 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.010 -25.635 12.062 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.219 -23.907 14.457 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.256 -23.444 13.122 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.457 -24.752 12.782 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.111 -24.979 16.371 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.426 -25.617 14.013 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.081 -25.840 17.605 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.239 -26.161 16.426 1.00 50.00 H new ATOM 895 N ILE A 61 -12.058 -24.175 11.254 1.00 16.66 N ATOM 896 CA ILE A 61 -10.812 -23.633 10.664 1.00 16.66 C ATOM 897 C ILE A 61 -10.760 -22.131 10.946 1.00 16.66 C ATOM 898 O ILE A 61 -11.692 -21.405 10.662 1.00 16.66 O ATOM 899 CB ILE A 61 -10.811 -23.874 9.154 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.143 -25.342 8.869 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.429 -23.541 8.586 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.124 -26.246 9.568 1.00 16.66 C ATOM 0 H ILE A 61 -12.914 -23.940 10.751 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.944 -24.127 11.100 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.560 -23.237 8.684 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.149 -25.572 9.220 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.130 -25.526 7.795 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.427 -23.712 7.510 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.195 -22.496 8.787 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.679 -24.178 9.056 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.363 -27.290 9.363 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.124 -26.023 9.196 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.159 -26.070 10.643 1.00 16.66 H new ATOM 914 N SER A 62 -9.679 -21.658 11.493 1.00 16.66 N ATOM 915 CA SER A 62 -9.566 -20.205 11.785 1.00 16.66 C ATOM 916 C SER A 62 -8.867 -19.526 10.612 1.00 16.66 C ATOM 917 O SER A 62 -8.284 -20.176 9.767 1.00 16.66 O ATOM 918 CB SER A 62 -8.748 -20.001 13.061 1.00 16.66 C ATOM 919 OG SER A 62 -9.302 -20.782 14.110 1.00 16.66 O ATOM 0 H SER A 62 -8.866 -22.217 11.752 1.00 16.66 H new ATOM 0 HA SER A 62 -10.557 -19.774 11.927 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.710 -20.287 12.890 1.00 16.66 H new ATOM 0 HB3 SER A 62 -8.746 -18.947 13.340 1.00 16.66 H new ATOM 0 HG SER A 62 -8.777 -20.652 14.927 1.00 16.66 H new ATOM 925 N PHE A 63 -8.916 -18.228 10.545 1.00 16.66 N ATOM 926 CA PHE A 63 -8.246 -17.534 9.416 1.00 16.66 C ATOM 927 C PHE A 63 -6.788 -17.978 9.370 1.00 16.66 C ATOM 928 O PHE A 63 -6.237 -18.244 8.320 1.00 16.66 O ATOM 929 CB PHE A 63 -8.314 -16.022 9.616 1.00 16.66 C ATOM 930 CG PHE A 63 -7.616 -15.354 8.461 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.005 -15.650 7.150 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.576 -14.448 8.696 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.355 -15.038 6.073 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.926 -13.836 7.619 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.317 -14.132 6.307 1.00 16.66 C ATOM 0 H PHE A 63 -9.387 -17.622 11.217 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.746 -17.786 8.481 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.352 -15.694 9.672 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.840 -15.743 10.557 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.807 -16.351 6.970 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.275 -14.221 9.708 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.655 -15.266 5.061 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.124 -13.136 7.799 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.816 -13.660 5.475 1.00 16.66 H new ATOM 945 N GLN A 64 -6.165 -18.067 10.508 1.00 16.66 N ATOM 946 CA GLN A 64 -4.745 -18.501 10.552 1.00 16.66 C ATOM 947 C GLN A 64 -4.636 -19.917 9.980 1.00 16.66 C ATOM 948 O GLN A 64 -3.817 -20.192 9.126 1.00 16.66 O ATOM 949 CB GLN A 64 -4.272 -18.500 12.004 1.00 16.66 C ATOM 950 CG GLN A 64 -2.764 -18.760 12.053 1.00 16.66 C ATOM 951 CD GLN A 64 -2.017 -17.533 11.529 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.002 -16.498 12.167 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.389 -17.604 10.387 1.00 50.00 N ATOM 0 H GLN A 64 -6.581 -17.856 11.415 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.127 -17.822 9.964 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.501 -17.542 12.471 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.802 -19.266 12.570 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.455 -18.978 13.075 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.515 -19.634 11.452 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.401 -18.472 9.851 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.886 -16.792 10.030 1.00 50.00 H new ATOM 962 N GLU A 65 -5.466 -20.814 10.442 1.00 16.66 N ATOM 963 CA GLU A 65 -5.423 -22.210 9.925 1.00 16.66 C ATOM 964 C GLU A 65 -5.643 -22.190 8.414 1.00 16.66 C ATOM 965 O GLU A 65 -4.929 -22.820 7.661 1.00 16.66 O ATOM 966 CB GLU A 65 -6.535 -23.027 10.583 1.00 16.66 C ATOM 967 CG GLU A 65 -6.009 -23.700 11.852 1.00 16.66 C ATOM 968 CD GLU A 65 -7.159 -24.427 12.561 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.296 -24.118 12.279 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.884 -25.280 13.375 1.00 16.66 O ATOM 0 H GLU A 65 -6.173 -20.638 11.156 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.455 -22.657 10.153 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.377 -22.380 10.827 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.904 -23.781 9.888 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.218 -24.407 11.600 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.571 -22.955 12.516 1.00 16.66 H new ATOM 977 N PHE A 66 -6.633 -21.468 7.970 1.00 16.66 N ATOM 978 CA PHE A 66 -6.915 -21.399 6.511 1.00 16.66 C ATOM 979 C PHE A 66 -5.714 -20.787 5.793 1.00 16.66 C ATOM 980 O PHE A 66 -5.324 -21.222 4.728 1.00 16.66 O ATOM 981 CB PHE A 66 -8.152 -20.532 6.277 1.00 16.66 C ATOM 982 CG PHE A 66 -8.527 -20.569 4.816 1.00 16.66 C ATOM 983 CD1 PHE A 66 -9.385 -21.566 4.337 1.00 16.66 C ATOM 984 CD2 PHE A 66 -8.018 -19.605 3.940 1.00 16.66 C ATOM 985 CE1 PHE A 66 -9.735 -21.598 2.982 1.00 16.66 C ATOM 986 CE2 PHE A 66 -8.366 -19.636 2.584 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.225 -20.633 2.105 1.00 16.66 C ATOM 0 H PHE A 66 -7.261 -20.921 8.558 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.096 -22.401 6.122 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.982 -20.893 6.885 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.953 -19.506 6.586 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -9.777 -22.311 5.013 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -7.356 -18.836 4.310 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -10.398 -22.367 2.613 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -7.972 -18.892 1.908 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.494 -20.658 1.059 1.00 16.66 H new ATOM 997 N THR A 67 -5.121 -19.782 6.373 1.00 16.66 N ATOM 998 CA THR A 67 -3.940 -19.142 5.732 1.00 16.66 C ATOM 999 C THR A 67 -2.797 -20.155 5.665 1.00 16.66 C ATOM 1000 O THR A 67 -2.163 -20.325 4.642 1.00 16.66 O ATOM 1001 CB THR A 67 -3.505 -17.933 6.562 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.452 -16.886 6.404 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.130 -17.454 6.091 1.00 50.00 C ATOM 0 H THR A 67 -5.404 -19.376 7.265 1.00 16.66 H new ATOM 0 HA THR A 67 -4.198 -18.815 4.725 1.00 16.66 H new ATOM 0 HB THR A 67 -3.448 -18.217 7.613 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.235 -17.065 6.966 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.822 -16.593 6.684 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.403 -18.257 6.213 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.184 -17.171 5.040 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.531 -20.831 6.749 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.432 -21.837 6.750 1.00 25.00 C ATOM 1013 C ASP A 68 -1.719 -22.904 5.695 1.00 25.00 C ATOM 1014 O ASP A 68 -0.828 -23.387 5.025 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.343 -22.492 8.130 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.932 -21.445 9.166 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.358 -20.444 8.771 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.199 -21.662 10.336 1.00 50.00 O ATOM 0 H ASP A 68 -3.028 -20.730 7.634 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.487 -21.345 6.520 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.305 -22.928 8.400 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.618 -23.306 8.112 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.959 -23.275 5.541 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.314 -24.306 4.534 1.00 25.00 C ATOM 1025 C PHE A 69 -3.286 -23.659 3.143 1.00 25.00 C ATOM 1026 O PHE A 69 -2.883 -24.268 2.171 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.713 -24.854 4.875 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.478 -25.194 3.623 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.015 -24.168 2.843 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.647 -26.528 3.242 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.724 -24.474 1.677 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.355 -26.838 2.077 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.894 -25.810 1.293 1.00 50.00 C ATOM 0 H PHE A 69 -3.745 -22.904 6.074 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.606 -25.134 4.541 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.618 -25.742 5.500 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.266 -24.115 5.454 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.883 -23.138 3.140 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.231 -27.319 3.848 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.140 -23.681 1.073 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.486 -27.869 1.782 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.441 -26.048 0.392 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.705 -22.428 3.047 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.697 -21.736 1.727 1.00 16.66 C ATOM 1045 C GLY A 70 -2.272 -21.724 1.171 1.00 16.66 C ATOM 1046 O GLY A 70 -2.061 -21.751 -0.025 1.00 16.66 O ATOM 0 H GLY A 70 -4.053 -21.870 3.827 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.366 -22.244 1.033 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.066 -20.716 1.836 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.292 -21.688 2.032 1.00 25.00 N ATOM 1051 CA ARG A 71 0.120 -21.680 1.553 1.00 25.00 C ATOM 1052 C ARG A 71 0.448 -23.042 0.943 1.00 25.00 C ATOM 1053 O ARG A 71 1.250 -23.154 0.038 1.00 25.00 O ATOM 1054 CB ARG A 71 1.057 -21.408 2.731 1.00 50.00 C ATOM 1055 CG ARG A 71 0.718 -20.052 3.351 1.00 50.00 C ATOM 1056 CD ARG A 71 1.626 -19.799 4.555 1.00 50.00 C ATOM 1057 NE ARG A 71 1.466 -20.906 5.540 1.00 50.00 N ATOM 1058 CZ ARG A 71 1.964 -20.792 6.740 1.00 50.00 C ATOM 1059 NH1 ARG A 71 2.790 -19.819 7.016 1.00 50.00 N ATOM 1060 NH2 ARG A 71 1.636 -21.651 7.666 1.00 50.00 N ATOM 0 H ARG A 71 -1.407 -21.664 3.045 1.00 25.00 H new ATOM 0 HA ARG A 71 0.250 -20.900 0.802 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.958 -22.196 3.478 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.094 -21.417 2.394 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.847 -19.261 2.613 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.327 -20.033 3.660 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.665 -19.732 4.233 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.375 -18.846 5.020 1.00 50.00 H new ATOM 0 HE ARG A 71 0.966 -21.755 5.275 1.00 50.00 H new ATOM 0 HH11 ARG A 71 3.046 -19.147 6.293 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.179 -19.731 7.955 1.00 50.00 H new ATOM 0 HH21 ARG A 71 0.991 -22.411 7.451 1.00 50.00 H new ATOM 0 HH22 ARG A 71 2.025 -21.562 8.605 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.173 -24.079 1.433 1.00 25.00 N ATOM 1075 CA ALA A 72 0.093 -25.439 0.885 1.00 25.00 C ATOM 1076 C ALA A 72 -0.451 -25.524 -0.541 1.00 25.00 C ATOM 1077 O ALA A 72 -0.035 -26.351 -1.328 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.608 -26.480 1.758 1.00 50.00 C ATOM 0 H ALA A 72 -0.855 -24.043 2.191 1.00 25.00 H new ATOM 0 HA ALA A 72 1.166 -25.629 0.879 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.416 -27.477 1.361 1.00 50.00 H new ATOM 0 HB2 ALA A 72 -0.227 -26.416 2.777 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.681 -26.290 1.759 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.379 -24.672 -0.879 1.00 25.00 N ATOM 1085 CA ASN A 73 -1.953 -24.694 -2.252 1.00 25.00 C ATOM 1086 C ASN A 73 -2.386 -23.278 -2.632 1.00 25.00 C ATOM 1087 O ASN A 73 -3.541 -23.024 -2.905 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.164 -25.628 -2.285 1.00 25.00 C ATOM 1089 CG ASN A 73 -2.911 -26.824 -1.366 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.140 -27.703 -1.692 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.533 -26.892 -0.221 1.00 50.00 N ATOM 0 H ASN A 73 -1.765 -23.959 -0.260 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.205 -25.052 -2.960 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.058 -25.093 -1.965 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.345 -25.971 -3.304 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.371 -27.684 0.401 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.181 -26.153 0.052 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.465 -22.355 -2.651 1.00 25.00 N ATOM 1099 CA ARG A 74 -1.822 -20.957 -3.012 1.00 25.00 C ATOM 1100 C ARG A 74 -2.608 -20.974 -4.318 1.00 25.00 C ATOM 1101 O ARG A 74 -3.555 -20.234 -4.500 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.548 -20.130 -3.191 1.00 25.00 C ATOM 1103 CG ARG A 74 0.317 -20.756 -4.287 1.00 25.00 C ATOM 1104 CD ARG A 74 1.670 -20.046 -4.339 1.00 25.00 C ATOM 1105 NE ARG A 74 2.465 -20.401 -3.129 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.279 -19.527 -2.602 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.710 -18.524 -3.316 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.661 -19.657 -1.362 1.00 50.00 N ATOM 0 H ARG A 74 -0.481 -22.510 -2.432 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.426 -20.513 -2.220 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.802 -19.104 -3.455 1.00 25.00 H new ATOM 0 HB3 ARG A 74 0.007 -20.090 -2.254 1.00 25.00 H new ATOM 0 HG2 ARG A 74 0.460 -21.818 -4.090 1.00 25.00 H new ATOM 0 HG3 ARG A 74 -0.185 -20.675 -5.251 1.00 25.00 H new ATOM 0 HD2 ARG A 74 2.210 -20.336 -5.240 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.525 -18.967 -4.388 1.00 25.00 H new ATOM 0 HE ARG A 74 2.373 -21.328 -2.713 1.00 25.00 H new ATOM 0 HH11 ARG A 74 3.411 -18.423 -4.286 1.00 50.00 H new ATOM 0 HH12 ARG A 74 4.346 -17.841 -2.904 1.00 50.00 H new ATOM 0 HH21 ARG A 74 3.324 -20.441 -0.804 1.00 50.00 H new ATOM 0 HH22 ARG A 74 4.297 -18.974 -0.950 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.223 -21.822 -5.226 1.00 25.00 N ATOM 1123 CA GLY A 75 -2.943 -21.906 -6.521 1.00 25.00 C ATOM 1124 C GLY A 75 -4.413 -22.234 -6.260 1.00 25.00 C ATOM 1125 O GLY A 75 -5.294 -21.814 -6.984 1.00 25.00 O ATOM 0 H GLY A 75 -1.436 -22.464 -5.126 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -2.859 -20.962 -7.059 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.493 -22.673 -7.151 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.684 -22.982 -5.226 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.095 -23.339 -4.913 1.00 25.00 C ATOM 1131 C LEU A 76 -6.872 -22.071 -4.558 1.00 25.00 C ATOM 1132 O LEU A 76 -7.990 -21.872 -4.991 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.128 -24.304 -3.725 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.798 -25.719 -4.205 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.761 -26.668 -3.005 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.871 -26.185 -5.192 1.00 50.00 C ATOM 0 H LEU A 76 -3.988 -23.361 -4.584 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.550 -23.816 -5.781 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.410 -23.989 -2.968 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.112 -24.288 -3.257 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.826 -25.719 -4.698 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.526 -27.676 -3.346 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -4.998 -26.336 -2.302 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.733 -26.669 -2.512 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.637 -27.193 -5.535 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.843 -26.186 -4.699 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.898 -25.508 -6.046 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.289 -21.218 -3.767 1.00 25.00 N ATOM 1149 CA LEU A 77 -6.985 -19.965 -3.370 1.00 25.00 C ATOM 1150 C LEU A 77 -7.278 -19.124 -4.611 1.00 25.00 C ATOM 1151 O LEU A 77 -8.343 -18.553 -4.750 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.088 -19.173 -2.417 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.130 -19.799 -1.017 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -7.423 -19.380 -0.314 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -6.077 -21.326 -1.117 1.00 50.00 C ATOM 0 H LEU A 77 -5.354 -21.335 -3.376 1.00 25.00 H new ATOM 0 HA LEU A 77 -7.924 -20.211 -2.873 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.064 -19.165 -2.790 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.419 -18.135 -2.371 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.268 -19.452 -0.447 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -7.456 -19.823 0.681 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -7.455 -18.294 -0.229 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -8.280 -19.724 -0.893 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.107 -21.757 -0.116 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -6.931 -21.683 -1.692 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -5.154 -21.626 -1.614 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.344 -19.040 -5.513 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.567 -18.234 -6.745 1.00 25.00 C ATOM 1169 C LYS A 78 -7.685 -18.867 -7.574 1.00 25.00 C ATOM 1170 O LYS A 78 -8.380 -18.196 -8.313 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.278 -18.196 -7.570 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.200 -17.436 -6.795 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.032 -17.113 -7.729 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.388 -18.415 -8.211 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.208 -18.730 -7.356 1.00 50.00 N ATOM 0 H LYS A 78 -5.433 -19.495 -5.451 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.851 -17.219 -6.468 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -4.940 -19.210 -7.784 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.461 -17.712 -8.529 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.614 -16.516 -6.382 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.852 -18.035 -5.953 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.384 -16.532 -8.581 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.295 -16.501 -7.209 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -3.111 -19.229 -8.166 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -2.081 -18.318 -9.252 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -0.769 -19.615 -7.682 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -0.516 -17.956 -7.420 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.514 -18.839 -6.368 1.00 50.00 H new ATOM 1189 N ASP A 79 -7.866 -20.154 -7.459 1.00 25.00 N ATOM 1190 CA ASP A 79 -8.939 -20.829 -8.239 1.00 25.00 C ATOM 1191 C ASP A 79 -10.264 -20.716 -7.485 1.00 25.00 C ATOM 1192 O ASP A 79 -11.273 -20.322 -8.035 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.582 -22.304 -8.423 1.00 25.00 C ATOM 1194 CG ASP A 79 -7.788 -22.479 -9.720 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -7.723 -21.530 -10.483 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -7.262 -23.559 -9.927 1.00 50.00 O ATOM 0 H ASP A 79 -7.316 -20.767 -6.858 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.034 -20.353 -9.215 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -7.995 -22.656 -7.575 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.489 -22.907 -8.455 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.265 -21.062 -6.230 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.519 -20.979 -5.431 1.00 25.00 C ATOM 1203 C VAL A 80 -11.957 -19.523 -5.323 1.00 25.00 C ATOM 1204 O VAL A 80 -13.116 -19.191 -5.480 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.260 -21.547 -4.031 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.541 -20.506 -3.164 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.593 -21.920 -3.379 1.00 50.00 C ATOM 0 H VAL A 80 -9.449 -21.400 -5.720 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.306 -21.554 -5.918 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.631 -22.433 -4.117 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.362 -20.920 -2.172 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.589 -20.244 -3.625 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.161 -19.613 -3.078 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.411 -22.324 -2.383 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.221 -21.032 -3.301 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.099 -22.670 -3.988 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.032 -18.653 -5.052 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.374 -17.208 -4.928 1.00 25.00 C ATOM 1219 C ALA A 81 -12.216 -16.781 -6.130 1.00 25.00 C ATOM 1220 O ALA A 81 -13.162 -16.029 -6.004 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.089 -16.380 -4.884 1.00 50.00 C ATOM 0 H ALA A 81 -10.047 -18.878 -4.910 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.940 -17.046 -4.011 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.340 -15.323 -4.793 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.489 -16.685 -4.027 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.521 -16.541 -5.800 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.876 -17.252 -7.296 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.652 -16.874 -8.510 1.00 25.00 C ATOM 1229 C LYS A 82 -14.071 -17.435 -8.406 1.00 25.00 C ATOM 1230 O LYS A 82 -15.001 -16.906 -8.983 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.967 -17.446 -9.753 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.621 -16.747 -9.963 1.00 25.00 C ATOM 1233 CD LYS A 82 -10.078 -17.094 -11.351 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.611 -16.667 -11.446 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.734 -17.844 -11.194 1.00 50.00 N ATOM 0 H LYS A 82 -11.093 -17.884 -7.462 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.697 -15.788 -8.587 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.817 -18.519 -9.637 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.602 -17.306 -10.628 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.740 -15.668 -9.867 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.913 -17.059 -9.195 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -10.169 -18.165 -11.531 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.665 -16.591 -12.119 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.405 -16.251 -12.432 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.402 -15.882 -10.719 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.743 -17.584 -11.374 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.837 -18.149 -10.205 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.008 -18.623 -11.827 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.246 -18.503 -7.678 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.606 -19.097 -7.542 1.00 25.00 C ATOM 1251 C ILE A 83 -16.538 -18.086 -6.871 1.00 25.00 C ATOM 1252 O ILE A 83 -17.720 -18.036 -7.148 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.529 -20.362 -6.686 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.746 -21.440 -7.440 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -16.944 -20.866 -6.397 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.776 -22.747 -6.645 1.00 50.00 C ATOM 0 H ILE A 83 -13.507 -18.990 -7.172 1.00 25.00 H new ATOM 0 HA ILE A 83 -15.991 -19.350 -8.530 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.024 -20.137 -5.746 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -15.179 -21.594 -8.428 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.716 -21.117 -7.590 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -16.892 -21.768 -5.787 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.502 -20.098 -5.862 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.449 -21.092 -7.336 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.218 -23.513 -7.183 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.323 -22.588 -5.667 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.809 -23.072 -6.518 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.014 -17.280 -5.991 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.867 -16.271 -5.300 1.00 25.00 C ATOM 1270 C PHE A 84 -16.605 -14.886 -5.897 1.00 25.00 C ATOM 1271 O PHE A 84 -15.445 -14.531 -6.034 1.00 99.99 O ATOM 1272 CB PHE A 84 -16.530 -16.257 -3.809 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.792 -17.622 -3.221 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.034 -18.722 -3.641 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -17.792 -17.789 -2.256 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.277 -19.989 -3.097 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.035 -19.056 -1.713 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.277 -20.156 -2.132 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.568 -14.205 -6.205 1.00 25.00 O ATOM 0 H PHE A 84 -15.031 -17.276 -5.719 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.918 -16.530 -5.433 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.485 -15.981 -3.664 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.132 -15.507 -3.296 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.262 -18.593 -4.385 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.376 -16.941 -1.931 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.693 -20.837 -3.422 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -18.808 -19.185 -0.970 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.464 -21.133 -1.711 1.00 50.00 H new