USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 7 LYS NZ :NH3+ -113:sc= -0.247 (180deg=-3.57!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 150:sc= -2.82! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -16.6! C(o=-17!,f=-11!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= -9.06! (180deg=-9.65!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 150:sc= -0.697 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 11:sc= 1.19 USER MOD Single : A 45 THR OG1 : rot -126:sc= -5.19! USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= -0.0477 (180deg=-0.064) USER MOD Single : A 56 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.58) USER MOD Single : A 62 SER OG : rot 180:sc= -0.627 USER MOD Single : A 67 GLN : amide:sc= -8.99! C(o=-9!,f=-6.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 4 -15.135 2.706 -2.541 1.00 0.00 N ATOM 66 CA GLU A 4 -14.556 3.642 -1.541 1.00 0.00 C ATOM 67 C GLU A 4 -14.212 2.864 -0.279 1.00 0.00 C ATOM 68 O GLU A 4 -13.650 3.397 0.653 1.00 0.00 O ATOM 69 CB GLU A 4 -15.576 4.732 -1.214 1.00 0.00 C ATOM 70 CG GLU A 4 -15.043 5.608 -0.082 1.00 0.00 C ATOM 71 CD GLU A 4 -15.293 7.080 -0.414 1.00 0.00 C ATOM 72 OE1 GLU A 4 -15.321 7.404 -1.590 1.00 0.00 O ATOM 73 OE2 GLU A 4 -15.452 7.857 0.512 1.00 0.00 O ATOM 0 HA GLU A 4 -13.655 4.105 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.770 5.340 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.525 4.281 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.534 5.347 0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.976 5.432 0.057 1.00 0.00 H new ATOM 80 N GLU A 5 -14.544 1.605 -0.241 1.00 0.00 N ATOM 81 CA GLU A 5 -14.235 0.796 0.958 1.00 0.00 C ATOM 82 C GLU A 5 -12.727 0.540 1.025 1.00 0.00 C ATOM 83 O GLU A 5 -12.230 -0.051 1.964 1.00 0.00 O ATOM 84 CB GLU A 5 -14.985 -0.533 0.877 1.00 0.00 C ATOM 85 CG GLU A 5 -15.748 -0.765 2.183 1.00 0.00 C ATOM 86 CD GLU A 5 -15.709 -2.251 2.542 1.00 0.00 C ATOM 87 OE1 GLU A 5 -14.809 -2.930 2.077 1.00 0.00 O ATOM 88 OE2 GLU A 5 -16.582 -2.685 3.277 1.00 0.00 O ATOM 0 H GLU A 5 -15.017 1.104 -0.993 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.547 1.332 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.677 -0.522 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.284 -1.349 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.304 -0.175 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.781 -0.433 2.077 1.00 0.00 H new ATOM 95 N LEU A 6 -11.994 0.991 0.040 1.00 0.00 N ATOM 96 CA LEU A 6 -10.518 0.782 0.054 1.00 0.00 C ATOM 97 C LEU A 6 -9.904 1.789 1.001 1.00 0.00 C ATOM 98 O LEU A 6 -8.880 1.552 1.603 1.00 0.00 O ATOM 99 CB LEU A 6 -9.945 0.976 -1.354 1.00 0.00 C ATOM 100 CG LEU A 6 -10.145 -0.296 -2.185 1.00 0.00 C ATOM 101 CD1 LEU A 6 -9.659 -1.512 -1.397 1.00 0.00 C ATOM 102 CD2 LEU A 6 -11.630 -0.466 -2.515 1.00 0.00 C ATOM 0 H LEU A 6 -12.354 1.494 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.289 -0.232 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.435 1.819 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.884 1.216 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.573 -0.212 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.804 -2.413 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.600 -1.396 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.226 -1.595 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.770 -1.371 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.202 -0.544 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.977 0.396 -3.084 1.00 0.00 H new ATOM 114 N LYS A 7 -10.534 2.906 1.155 1.00 0.00 N ATOM 115 CA LYS A 7 -10.019 3.919 2.079 1.00 0.00 C ATOM 116 C LYS A 7 -10.010 3.347 3.506 1.00 0.00 C ATOM 117 O LYS A 7 -9.212 3.731 4.337 1.00 0.00 O ATOM 118 CB LYS A 7 -10.948 5.127 1.941 1.00 0.00 C ATOM 119 CG LYS A 7 -11.321 5.714 3.313 1.00 0.00 C ATOM 120 CD LYS A 7 -12.306 4.777 4.062 1.00 0.00 C ATOM 121 CE LYS A 7 -13.115 3.901 3.089 1.00 0.00 C ATOM 122 NZ LYS A 7 -13.846 2.852 3.856 1.00 0.00 N ATOM 0 H LYS A 7 -11.395 3.159 0.671 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.994 4.214 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.462 5.893 1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.854 4.831 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.420 5.855 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.774 6.697 3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.749 4.139 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.989 5.375 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.820 4.516 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.449 3.437 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.457 1.916 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.736 3.027 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.855 2.880 3.607 1.00 0.00 H new ATOM 136 N GLY A 8 -10.909 2.442 3.794 1.00 0.00 N ATOM 137 CA GLY A 8 -10.980 1.850 5.163 1.00 0.00 C ATOM 138 C GLY A 8 -9.695 1.084 5.485 1.00 0.00 C ATOM 139 O GLY A 8 -9.479 0.664 6.604 1.00 0.00 O ATOM 0 H GLY A 8 -11.601 2.085 3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.134 2.639 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.837 1.179 5.231 1.00 0.00 H new ATOM 143 N ILE A 9 -8.838 0.905 4.523 1.00 0.00 N ATOM 144 CA ILE A 9 -7.569 0.174 4.788 1.00 0.00 C ATOM 145 C ILE A 9 -6.408 1.149 4.644 1.00 0.00 C ATOM 146 O ILE A 9 -5.946 1.726 5.598 1.00 0.00 O ATOM 147 CB ILE A 9 -7.422 -1.008 3.798 1.00 0.00 C ATOM 148 CG1 ILE A 9 -5.942 -1.317 3.507 1.00 0.00 C ATOM 149 CG2 ILE A 9 -8.161 -0.731 2.484 1.00 0.00 C ATOM 150 CD1 ILE A 9 -5.695 -2.817 3.679 1.00 0.00 C ATOM 0 H ILE A 9 -8.960 1.232 3.565 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.574 -0.234 5.799 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.872 -1.879 4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.687 -1.009 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.301 -0.751 4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.038 -1.580 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.221 -0.580 2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.750 0.164 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.648 -3.039 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.935 -3.110 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.326 -3.372 2.985 1.00 0.00 H new ATOM 162 N PHE A 10 -5.947 1.317 3.452 1.00 0.00 N ATOM 163 CA PHE A 10 -4.808 2.240 3.185 1.00 0.00 C ATOM 164 C PHE A 10 -4.914 3.494 4.042 1.00 0.00 C ATOM 165 O PHE A 10 -4.137 3.721 4.946 1.00 0.00 O ATOM 166 CB PHE A 10 -4.890 2.655 1.733 1.00 0.00 C ATOM 167 CG PHE A 10 -3.829 3.689 1.417 1.00 0.00 C ATOM 168 CD1 PHE A 10 -4.072 5.051 1.650 1.00 0.00 C ATOM 169 CD2 PHE A 10 -2.599 3.281 0.887 1.00 0.00 C ATOM 170 CE1 PHE A 10 -3.086 5.999 1.353 1.00 0.00 C ATOM 171 CE2 PHE A 10 -1.614 4.232 0.591 1.00 0.00 C ATOM 172 CZ PHE A 10 -1.859 5.589 0.824 1.00 0.00 C ATOM 0 H PHE A 10 -6.314 0.846 2.625 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.870 1.735 3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.760 1.783 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.878 3.062 1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.020 5.368 2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.410 2.233 0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.273 7.047 1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.665 3.917 0.183 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.099 6.321 0.595 1.00 0.00 H new ATOM 182 N GLU A 11 -5.860 4.324 3.726 1.00 0.00 N ATOM 183 CA GLU A 11 -6.030 5.601 4.479 1.00 0.00 C ATOM 184 C GLU A 11 -5.813 5.367 5.975 1.00 0.00 C ATOM 185 O GLU A 11 -5.186 6.163 6.645 1.00 0.00 O ATOM 186 CB GLU A 11 -7.434 6.159 4.248 1.00 0.00 C ATOM 187 CG GLU A 11 -7.710 6.247 2.751 1.00 0.00 C ATOM 188 CD GLU A 11 -7.673 7.712 2.310 1.00 0.00 C ATOM 189 OE1 GLU A 11 -8.539 8.459 2.733 1.00 0.00 O ATOM 190 OE2 GLU A 11 -6.778 8.062 1.558 1.00 0.00 O ATOM 0 H GLU A 11 -6.531 4.176 2.973 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.292 6.318 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.174 5.518 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.524 7.145 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.967 5.671 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.683 5.812 2.524 1.00 0.00 H new ATOM 197 N LYS A 12 -6.319 4.292 6.512 1.00 0.00 N ATOM 198 CA LYS A 12 -6.117 4.048 7.971 1.00 0.00 C ATOM 199 C LYS A 12 -4.634 3.772 8.224 1.00 0.00 C ATOM 200 O LYS A 12 -4.049 4.256 9.174 1.00 0.00 O ATOM 201 CB LYS A 12 -6.987 2.855 8.438 1.00 0.00 C ATOM 202 CG LYS A 12 -6.141 1.585 8.663 1.00 0.00 C ATOM 203 CD LYS A 12 -5.248 1.756 9.902 1.00 0.00 C ATOM 204 CE LYS A 12 -5.695 0.794 11.005 1.00 0.00 C ATOM 205 NZ LYS A 12 -6.935 1.313 11.649 1.00 0.00 N ATOM 0 H LYS A 12 -6.856 3.581 6.015 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.421 4.926 8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.500 3.119 9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.757 2.652 7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.794 0.722 8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.525 1.389 7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.208 1.564 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.302 2.784 10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.878 -0.196 10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.905 0.685 11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.237 0.658 12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.746 2.248 12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.688 1.395 10.936 1.00 0.00 H new ATOM 219 N TYR A 13 -4.030 2.980 7.384 1.00 0.00 N ATOM 220 CA TYR A 13 -2.598 2.639 7.561 1.00 0.00 C ATOM 221 C TYR A 13 -1.727 3.834 7.216 1.00 0.00 C ATOM 222 O TYR A 13 -0.517 3.760 7.250 1.00 0.00 O ATOM 223 CB TYR A 13 -2.253 1.447 6.679 1.00 0.00 C ATOM 224 CG TYR A 13 -2.602 0.209 7.452 1.00 0.00 C ATOM 225 CD1 TYR A 13 -1.695 -0.302 8.380 1.00 0.00 C ATOM 226 CD2 TYR A 13 -3.844 -0.406 7.269 1.00 0.00 C ATOM 227 CE1 TYR A 13 -2.021 -1.432 9.131 1.00 0.00 C ATOM 228 CE2 TYR A 13 -4.174 -1.541 8.016 1.00 0.00 C ATOM 229 CZ TYR A 13 -3.263 -2.056 8.950 1.00 0.00 C ATOM 230 OH TYR A 13 -3.589 -3.175 9.690 1.00 0.00 O ATOM 0 H TYR A 13 -4.476 2.551 6.573 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.412 2.376 8.602 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.810 1.486 5.743 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.194 1.453 6.420 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.738 0.178 8.518 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.546 -0.006 6.553 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.318 -1.825 9.850 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.131 -2.021 7.874 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.559 -3.206 9.826 1.00 0.00 H new ATOM 240 N ASP A 15 -2.329 4.951 6.932 1.00 0.00 N ATOM 241 CA ASP A 15 -1.551 6.165 6.645 1.00 0.00 C ATOM 242 C ASP A 15 -1.284 6.835 7.990 1.00 0.00 C ATOM 243 O ASP A 15 -1.498 8.018 8.158 1.00 0.00 O ATOM 244 CB ASP A 15 -2.385 7.084 5.756 1.00 0.00 C ATOM 245 CG ASP A 15 -1.473 7.809 4.765 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.986 8.874 5.108 1.00 0.00 O ATOM 247 OD2 ASP A 15 -1.278 7.288 3.679 1.00 0.00 O ATOM 0 H ASP A 15 -3.341 5.068 6.888 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.616 5.941 6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.134 6.503 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.922 7.809 6.368 1.00 0.00 H new ATOM 252 N LYS A 16 -0.842 6.063 8.956 1.00 0.00 N ATOM 253 CA LYS A 16 -0.575 6.618 10.310 1.00 0.00 C ATOM 254 C LYS A 16 0.770 7.351 10.283 1.00 0.00 C ATOM 255 O LYS A 16 1.760 6.883 10.807 1.00 0.00 O ATOM 256 CB LYS A 16 -0.512 5.477 11.345 1.00 0.00 C ATOM 257 CG LYS A 16 -1.468 4.322 10.972 1.00 0.00 C ATOM 258 CD LYS A 16 -0.714 2.994 11.062 1.00 0.00 C ATOM 259 CE LYS A 16 -0.922 2.386 12.452 1.00 0.00 C ATOM 260 NZ LYS A 16 0.301 1.637 12.857 1.00 0.00 N ATOM 0 H LYS A 16 -0.655 5.065 8.857 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.375 7.305 10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.508 5.100 11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.773 5.863 12.330 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.326 4.313 11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.855 4.466 9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.072 2.307 10.295 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.348 3.153 10.877 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.136 3.172 13.176 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.784 1.718 12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.159 1.225 13.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.486 0.877 12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.113 2.286 12.882 1.00 0.00 H new ATOM 274 N GLU A 17 0.801 8.499 9.663 1.00 0.00 N ATOM 275 CA GLU A 17 2.062 9.287 9.576 1.00 0.00 C ATOM 276 C GLU A 17 1.726 10.781 9.643 1.00 0.00 C ATOM 277 O GLU A 17 2.415 11.554 10.277 1.00 0.00 O ATOM 278 CB GLU A 17 2.756 8.980 8.248 1.00 0.00 C ATOM 279 CG GLU A 17 4.256 8.814 8.483 1.00 0.00 C ATOM 280 CD GLU A 17 4.996 8.909 7.149 1.00 0.00 C ATOM 281 OE1 GLU A 17 5.115 7.892 6.487 1.00 0.00 O ATOM 282 OE2 GLU A 17 5.430 9.998 6.810 1.00 0.00 O ATOM 0 H GLU A 17 -0.004 8.929 9.208 1.00 0.00 H new ATOM 0 HA GLU A 17 2.722 9.023 10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.343 8.071 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.576 9.786 7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.615 9.584 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.457 7.852 8.954 1.00 0.00 H new ATOM 289 N GLY A 18 0.659 11.187 9.005 1.00 0.00 N ATOM 290 CA GLY A 18 0.262 12.617 9.042 1.00 0.00 C ATOM 291 C GLY A 18 0.606 13.322 7.724 1.00 0.00 C ATOM 292 O GLY A 18 0.870 14.508 7.709 1.00 0.00 O ATOM 0 H GLY A 18 0.045 10.583 8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.809 12.695 9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.769 13.117 9.868 1.00 0.00 H new ATOM 296 N ASP A 19 0.599 12.629 6.611 1.00 0.00 N ATOM 297 CA ASP A 19 0.920 13.326 5.333 1.00 0.00 C ATOM 298 C ASP A 19 -0.157 13.017 4.276 1.00 0.00 C ATOM 299 O ASP A 19 -0.634 13.909 3.602 1.00 0.00 O ATOM 300 CB ASP A 19 2.323 12.911 4.854 1.00 0.00 C ATOM 301 CG ASP A 19 2.242 11.727 3.893 1.00 0.00 C ATOM 302 OD1 ASP A 19 1.904 10.644 4.342 1.00 0.00 O ATOM 303 OD2 ASP A 19 2.525 11.927 2.726 1.00 0.00 O ATOM 0 H ASP A 19 0.390 11.634 6.534 1.00 0.00 H new ATOM 0 HA ASP A 19 0.924 14.404 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.807 13.753 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.941 12.647 5.712 1.00 0.00 H new ATOM 308 N GLY A 20 -0.565 11.779 4.131 1.00 0.00 N ATOM 309 CA GLY A 20 -1.625 11.469 3.126 1.00 0.00 C ATOM 310 C GLY A 20 -1.282 10.192 2.351 1.00 0.00 C ATOM 311 O GLY A 20 -2.153 9.538 1.813 1.00 0.00 O ATOM 0 H GLY A 20 -0.214 10.980 4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.585 11.348 3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.731 12.303 2.433 1.00 0.00 H new ATOM 315 N GLN A 22 -0.031 9.838 2.269 1.00 0.00 N ATOM 316 CA GLN A 22 0.343 8.619 1.508 1.00 0.00 C ATOM 317 C GLN A 22 1.208 7.695 2.374 1.00 0.00 C ATOM 318 O GLN A 22 1.326 7.886 3.569 1.00 0.00 O ATOM 319 CB GLN A 22 1.076 9.053 0.231 1.00 0.00 C ATOM 320 CG GLN A 22 2.126 10.100 0.593 1.00 0.00 C ATOM 321 CD GLN A 22 3.255 9.444 1.392 1.00 0.00 C ATOM 322 OE1 GLN A 22 3.769 10.021 2.329 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.666 8.249 1.064 1.00 0.00 N ATOM 0 H GLN A 22 0.747 10.341 2.696 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.547 8.054 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.549 8.193 -0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.368 9.463 -0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.526 10.556 -0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.670 10.899 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.238 7.760 0.278 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.416 7.804 1.594 1.00 0.00 H new ATOM 332 N LEU A 23 1.759 6.656 1.800 1.00 0.00 N ATOM 333 CA LEU A 23 2.538 5.693 2.614 1.00 0.00 C ATOM 334 C LEU A 23 4.011 5.634 2.260 1.00 0.00 C ATOM 335 O LEU A 23 4.379 5.118 1.224 1.00 0.00 O ATOM 336 CB LEU A 23 2.068 4.276 2.320 1.00 0.00 C ATOM 337 CG LEU A 23 0.646 4.016 2.763 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.341 2.566 2.377 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.535 4.165 4.287 1.00 0.00 C ATOM 0 H LEU A 23 1.700 6.439 0.805 1.00 0.00 H new ATOM 0 HA LEU A 23 2.394 6.030 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.148 4.088 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.732 3.569 2.818 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.047 4.718 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.678 2.317 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.445 2.447 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.039 1.900 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.493 3.976 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.198 3.448 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.821 5.177 4.575 1.00 0.00 H new ATOM 351 N SER A 24 4.862 5.972 3.169 1.00 0.00 N ATOM 352 CA SER A 24 6.283 5.706 2.902 1.00 0.00 C ATOM 353 C SER A 24 6.336 4.219 3.236 1.00 0.00 C ATOM 354 O SER A 24 5.489 3.767 3.975 1.00 0.00 O ATOM 355 CB SER A 24 7.178 6.517 3.843 1.00 0.00 C ATOM 356 OG SER A 24 8.542 6.235 3.555 1.00 0.00 O ATOM 0 H SER A 24 4.643 6.410 4.064 1.00 0.00 H new ATOM 0 HA SER A 24 6.626 5.967 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.982 7.582 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.955 6.268 4.880 1.00 0.00 H new ATOM 0 HG SER A 24 9.117 6.754 4.155 1.00 0.00 H new ATOM 362 N LYS A 25 7.213 3.415 2.719 1.00 0.00 N ATOM 363 CA LYS A 25 7.100 1.974 3.105 1.00 0.00 C ATOM 364 C LYS A 25 6.930 1.813 4.617 1.00 0.00 C ATOM 365 O LYS A 25 6.450 0.801 5.085 1.00 0.00 O ATOM 366 CB LYS A 25 8.290 1.146 2.628 1.00 0.00 C ATOM 367 CG LYS A 25 7.838 0.244 1.486 1.00 0.00 C ATOM 368 CD LYS A 25 7.720 -1.185 2.026 1.00 0.00 C ATOM 369 CE LYS A 25 6.342 -1.764 1.702 1.00 0.00 C ATOM 370 NZ LYS A 25 6.180 -1.881 0.228 1.00 0.00 N ATOM 0 H LYS A 25 7.967 3.665 2.080 1.00 0.00 H new ATOM 0 HA LYS A 25 6.208 1.596 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.095 1.801 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.685 0.546 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.880 0.582 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.553 0.283 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.497 -1.812 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.878 -1.188 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.230 -2.743 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.562 -1.123 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.330 -2.441 0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.082 -0.932 -0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.015 -2.352 -0.177 1.00 0.00 H new ATOM 384 N GLU A 26 7.286 2.791 5.395 1.00 0.00 N ATOM 385 CA GLU A 26 7.095 2.647 6.861 1.00 0.00 C ATOM 386 C GLU A 26 5.637 2.250 7.123 1.00 0.00 C ATOM 387 O GLU A 26 5.356 1.338 7.869 1.00 0.00 O ATOM 388 CB GLU A 26 7.397 3.977 7.552 1.00 0.00 C ATOM 389 CG GLU A 26 8.891 4.281 7.444 1.00 0.00 C ATOM 390 CD GLU A 26 9.095 5.791 7.309 1.00 0.00 C ATOM 391 OE1 GLU A 26 8.165 6.459 6.889 1.00 0.00 O ATOM 392 OE2 GLU A 26 10.179 6.254 7.627 1.00 0.00 O ATOM 0 H GLU A 26 7.696 3.673 5.086 1.00 0.00 H new ATOM 0 HA GLU A 26 7.768 1.884 7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.818 4.778 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.100 3.930 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.413 3.910 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.316 3.767 6.582 1.00 0.00 H new ATOM 399 N GLU A 27 4.711 2.943 6.512 1.00 0.00 N ATOM 400 CA GLU A 27 3.261 2.644 6.712 1.00 0.00 C ATOM 401 C GLU A 27 2.781 1.505 5.794 1.00 0.00 C ATOM 402 O GLU A 27 1.781 0.870 6.067 1.00 0.00 O ATOM 403 CB GLU A 27 2.458 3.904 6.392 1.00 0.00 C ATOM 404 CG GLU A 27 2.908 5.051 7.300 1.00 0.00 C ATOM 405 CD GLU A 27 2.592 4.706 8.756 1.00 0.00 C ATOM 406 OE1 GLU A 27 1.672 3.936 8.975 1.00 0.00 O ATOM 407 OE2 GLU A 27 3.275 5.220 9.626 1.00 0.00 O ATOM 0 H GLU A 27 4.901 3.715 5.873 1.00 0.00 H new ATOM 0 HA GLU A 27 3.114 2.331 7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.598 4.179 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.394 3.713 6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.977 5.225 7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.402 5.973 7.016 1.00 0.00 H new ATOM 414 N LEU A 28 3.449 1.250 4.701 1.00 0.00 N ATOM 415 CA LEU A 28 2.974 0.167 3.779 1.00 0.00 C ATOM 416 C LEU A 28 3.411 -1.216 4.286 1.00 0.00 C ATOM 417 O LEU A 28 2.588 -2.087 4.487 1.00 0.00 O ATOM 418 CB LEU A 28 3.513 0.420 2.368 1.00 0.00 C ATOM 419 CG LEU A 28 2.955 -0.628 1.403 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.443 -0.750 1.600 1.00 0.00 C ATOM 421 CD2 LEU A 28 3.246 -0.195 -0.038 1.00 0.00 C ATOM 0 H LEU A 28 4.295 1.737 4.405 1.00 0.00 H new ATOM 0 HA LEU A 28 1.884 0.182 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.232 1.419 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.602 0.380 2.373 1.00 0.00 H new ATOM 0 HG LEU A 28 3.426 -1.591 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.046 -1.497 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.233 -1.053 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.971 0.213 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.850 -0.939 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.773 0.768 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.323 -0.105 -0.180 1.00 0.00 H new ATOM 433 N LYS A 29 4.685 -1.445 4.491 1.00 0.00 N ATOM 434 CA LYS A 29 5.130 -2.788 4.980 1.00 0.00 C ATOM 435 C LYS A 29 4.396 -3.199 6.276 1.00 0.00 C ATOM 436 O LYS A 29 4.571 -4.301 6.756 1.00 0.00 O ATOM 437 CB LYS A 29 6.644 -2.769 5.224 1.00 0.00 C ATOM 438 CG LYS A 29 6.950 -2.136 6.582 1.00 0.00 C ATOM 439 CD LYS A 29 8.405 -1.658 6.609 1.00 0.00 C ATOM 440 CE LYS A 29 8.573 -0.585 7.687 1.00 0.00 C ATOM 441 NZ LYS A 29 9.329 -1.154 8.839 1.00 0.00 N ATOM 0 H LYS A 29 5.431 -0.766 4.342 1.00 0.00 H new ATOM 0 HA LYS A 29 4.885 -3.523 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.038 -3.785 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.141 -2.208 4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.278 -1.298 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.779 -2.860 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.070 -2.497 6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.685 -1.256 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.103 0.276 7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.597 -0.230 8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.444 -0.426 9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.806 -1.962 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.265 -1.472 8.517 1.00 0.00 H new ATOM 455 N LEU A 30 3.575 -2.354 6.850 1.00 0.00 N ATOM 456 CA LEU A 30 2.843 -2.767 8.084 1.00 0.00 C ATOM 457 C LEU A 30 1.388 -3.055 7.706 1.00 0.00 C ATOM 458 O LEU A 30 0.708 -3.842 8.334 1.00 0.00 O ATOM 459 CB LEU A 30 2.864 -1.646 9.128 1.00 0.00 C ATOM 460 CG LEU A 30 4.130 -0.806 8.986 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.977 0.476 9.810 1.00 0.00 C ATOM 462 CD2 LEU A 30 5.329 -1.603 9.506 1.00 0.00 C ATOM 0 H LEU A 30 3.382 -1.408 6.521 1.00 0.00 H new ATOM 0 HA LEU A 30 3.324 -3.650 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.985 -1.013 9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.814 -2.073 10.130 1.00 0.00 H new ATOM 0 HG LEU A 30 4.288 -0.553 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.879 1.081 9.713 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.119 1.042 9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.824 0.219 10.858 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.235 -1.005 9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.173 -1.852 10.556 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.434 -2.521 8.928 1.00 0.00 H new ATOM 474 N LEU A 31 0.908 -2.397 6.687 1.00 0.00 N ATOM 475 CA LEU A 31 -0.504 -2.584 6.248 1.00 0.00 C ATOM 476 C LEU A 31 -0.681 -3.941 5.550 1.00 0.00 C ATOM 477 O LEU A 31 -1.690 -4.598 5.712 1.00 0.00 O ATOM 478 CB LEU A 31 -0.859 -1.449 5.276 1.00 0.00 C ATOM 479 CG LEU A 31 -2.030 -1.856 4.375 1.00 0.00 C ATOM 480 CD1 LEU A 31 -2.744 -0.600 3.871 1.00 0.00 C ATOM 481 CD2 LEU A 31 -1.494 -2.650 3.179 1.00 0.00 C ATOM 0 H LEU A 31 1.442 -1.728 6.132 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.162 -2.563 7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.120 -0.551 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.009 -1.202 4.664 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.731 -2.471 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.577 -0.888 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.120 -0.030 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.044 0.013 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.323 -2.942 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.797 -2.031 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.980 -3.543 3.536 1.00 0.00 H new ATOM 493 N LEU A 32 0.269 -4.355 4.760 1.00 0.00 N ATOM 494 CA LEU A 32 0.135 -5.636 4.045 1.00 0.00 C ATOM 495 C LEU A 32 -0.254 -6.765 5.014 1.00 0.00 C ATOM 496 O LEU A 32 -1.106 -7.578 4.717 1.00 0.00 O ATOM 497 CB LEU A 32 1.474 -5.913 3.356 1.00 0.00 C ATOM 498 CG LEU A 32 2.456 -6.603 4.309 1.00 0.00 C ATOM 499 CD1 LEU A 32 3.633 -7.160 3.511 1.00 0.00 C ATOM 500 CD2 LEU A 32 2.986 -5.587 5.315 1.00 0.00 C ATOM 0 H LEU A 32 1.137 -3.850 4.583 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.661 -5.585 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.312 -6.541 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.904 -4.976 3.002 1.00 0.00 H new ATOM 0 HG LEU A 32 1.943 -7.411 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.332 -7.651 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.268 -7.882 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.140 -6.345 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.685 -6.077 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.498 -4.783 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.155 -5.173 5.887 1.00 0.00 H new ATOM 512 N GLN A 33 0.361 -6.829 6.162 1.00 0.00 N ATOM 513 CA GLN A 33 0.027 -7.911 7.133 1.00 0.00 C ATOM 514 C GLN A 33 -1.202 -7.535 7.972 1.00 0.00 C ATOM 515 O GLN A 33 -1.374 -6.398 8.363 1.00 0.00 O ATOM 516 CB GLN A 33 1.221 -8.142 8.063 1.00 0.00 C ATOM 517 CG GLN A 33 1.328 -6.983 9.057 1.00 0.00 C ATOM 518 CD GLN A 33 2.719 -6.982 9.692 1.00 0.00 C ATOM 519 OE1 GLN A 33 3.430 -7.965 9.626 1.00 0.00 O ATOM 520 NE2 GLN A 33 3.140 -5.912 10.308 1.00 0.00 N ATOM 0 H GLN A 33 1.082 -6.178 6.471 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.198 -8.820 6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.101 -9.084 8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.139 -8.221 7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.148 -6.036 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.564 -7.080 9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.543 -5.087 10.363 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.066 -5.900 10.735 1.00 0.00 H new ATOM 529 N THR A 34 -2.032 -8.504 8.277 1.00 0.00 N ATOM 530 CA THR A 34 -3.239 -8.257 9.131 1.00 0.00 C ATOM 531 C THR A 34 -4.439 -7.798 8.290 1.00 0.00 C ATOM 532 O THR A 34 -5.562 -7.814 8.753 1.00 0.00 O ATOM 533 CB THR A 34 -2.904 -7.216 10.220 1.00 0.00 C ATOM 534 OG1 THR A 34 -3.531 -7.599 11.436 1.00 0.00 O ATOM 535 CG2 THR A 34 -3.392 -5.816 9.818 1.00 0.00 C ATOM 0 H THR A 34 -1.923 -9.469 7.966 1.00 0.00 H new ATOM 0 HA THR A 34 -3.519 -9.196 9.609 1.00 0.00 H new ATOM 0 HB THR A 34 -1.822 -7.180 10.344 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.321 -6.943 12.133 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.142 -5.104 10.604 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.908 -5.515 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.472 -5.834 9.675 1.00 0.00 H new ATOM 543 N GLU A 35 -4.230 -7.386 7.073 1.00 0.00 N ATOM 544 CA GLU A 35 -5.391 -6.934 6.254 1.00 0.00 C ATOM 545 C GLU A 35 -5.166 -7.270 4.781 1.00 0.00 C ATOM 546 O GLU A 35 -6.045 -7.778 4.113 1.00 0.00 O ATOM 547 CB GLU A 35 -5.564 -5.420 6.405 1.00 0.00 C ATOM 548 CG GLU A 35 -6.009 -5.098 7.831 1.00 0.00 C ATOM 549 CD GLU A 35 -7.487 -5.458 7.998 1.00 0.00 C ATOM 550 OE1 GLU A 35 -8.226 -5.299 7.040 1.00 0.00 O ATOM 551 OE2 GLU A 35 -7.854 -5.887 9.079 1.00 0.00 O ATOM 0 H GLU A 35 -3.321 -7.342 6.613 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.287 -7.447 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.626 -4.912 6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.302 -5.054 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.405 -5.656 8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.856 -4.039 8.041 1.00 0.00 H new ATOM 558 N PHE A 36 -4.003 -6.988 4.267 1.00 0.00 N ATOM 559 CA PHE A 36 -3.739 -7.283 2.832 1.00 0.00 C ATOM 560 C PHE A 36 -2.710 -8.412 2.715 1.00 0.00 C ATOM 561 O PHE A 36 -1.541 -8.162 2.501 1.00 0.00 O ATOM 562 CB PHE A 36 -3.193 -6.026 2.148 1.00 0.00 C ATOM 563 CG PHE A 36 -4.336 -5.163 1.649 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.648 -5.397 2.084 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.077 -4.124 0.746 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.696 -4.594 1.617 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.125 -3.322 0.281 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.434 -3.556 0.716 1.00 0.00 C ATOM 0 H PHE A 36 -3.226 -6.567 4.776 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.667 -7.591 2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.579 -5.460 2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.549 -6.307 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.851 -6.197 2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.067 -3.942 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.706 -4.776 1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.923 -2.521 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.242 -2.936 0.357 1.00 0.00 H new ATOM 578 N PRO A 37 -3.179 -9.626 2.853 1.00 0.00 N ATOM 579 CA PRO A 37 -2.319 -10.826 2.760 1.00 0.00 C ATOM 580 C PRO A 37 -1.857 -11.030 1.323 1.00 0.00 C ATOM 581 O PRO A 37 -0.685 -11.195 1.049 1.00 0.00 O ATOM 582 CB PRO A 37 -3.248 -11.978 3.136 1.00 0.00 C ATOM 583 CG PRO A 37 -4.679 -11.449 2.929 1.00 0.00 C ATOM 584 CD PRO A 37 -4.604 -9.924 3.109 1.00 0.00 C ATOM 0 HA PRO A 37 -1.435 -10.749 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.060 -12.851 2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.091 -12.285 4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.049 -11.706 1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.366 -11.893 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.257 -9.403 2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.905 -9.621 4.112 1.00 0.00 H new ATOM 592 N SER A 38 -2.790 -11.058 0.409 1.00 0.00 N ATOM 593 CA SER A 38 -2.449 -11.291 -1.009 1.00 0.00 C ATOM 594 C SER A 38 -1.156 -10.550 -1.364 1.00 0.00 C ATOM 595 O SER A 38 -0.370 -11.006 -2.172 1.00 0.00 O ATOM 596 CB SER A 38 -3.586 -10.791 -1.899 1.00 0.00 C ATOM 597 OG SER A 38 -3.127 -10.708 -3.241 1.00 0.00 O ATOM 0 H SER A 38 -3.784 -10.927 0.595 1.00 0.00 H new ATOM 0 HA SER A 38 -2.305 -12.359 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.438 -11.467 -1.835 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.928 -9.814 -1.558 1.00 0.00 H new ATOM 0 HG SER A 38 -3.876 -10.865 -3.853 1.00 0.00 H new ATOM 603 N LEU A 39 -0.928 -9.412 -0.763 1.00 0.00 N ATOM 604 CA LEU A 39 0.317 -8.645 -1.060 1.00 0.00 C ATOM 605 C LEU A 39 1.526 -9.469 -0.620 1.00 0.00 C ATOM 606 O LEU A 39 2.446 -9.704 -1.377 1.00 0.00 O ATOM 607 CB LEU A 39 0.302 -7.328 -0.276 1.00 0.00 C ATOM 608 CG LEU A 39 -0.512 -6.282 -1.037 1.00 0.00 C ATOM 609 CD1 LEU A 39 -0.636 -5.016 -0.187 1.00 0.00 C ATOM 610 CD2 LEU A 39 0.195 -5.943 -2.351 1.00 0.00 C ATOM 0 H LEU A 39 -1.550 -8.981 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 39 0.374 -8.437 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.128 -7.488 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.321 -6.971 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.505 -6.678 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.216 -4.269 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.138 -5.255 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.358 -4.620 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.385 -5.197 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.188 -5.546 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.287 -6.844 -2.958 1.00 0.00 H new ATOM 622 N LEU A 40 1.522 -9.903 0.606 1.00 0.00 N ATOM 623 CA LEU A 40 2.658 -10.709 1.125 1.00 0.00 C ATOM 624 C LEU A 40 2.215 -12.158 1.321 1.00 0.00 C ATOM 625 O LEU A 40 2.452 -12.760 2.350 1.00 0.00 O ATOM 626 CB LEU A 40 3.120 -10.118 2.444 1.00 0.00 C ATOM 627 CG LEU A 40 2.035 -10.267 3.497 1.00 0.00 C ATOM 628 CD1 LEU A 40 2.713 -10.296 4.851 1.00 0.00 C ATOM 629 CD2 LEU A 40 1.075 -9.075 3.434 1.00 0.00 C ATOM 0 H LEU A 40 0.773 -9.732 1.277 1.00 0.00 H new ATOM 0 HA LEU A 40 3.482 -10.691 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.030 -10.619 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.366 -9.064 2.312 1.00 0.00 H new ATOM 0 HG LEU A 40 1.465 -11.180 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.961 -10.402 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.403 -11.139 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.264 -9.368 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.301 -9.191 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.627 -8.153 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.613 -9.032 2.448 1.00 0.00 H new ATOM 641 N LYS A 41 1.574 -12.721 0.335 1.00 0.00 N ATOM 642 CA LYS A 41 1.109 -14.131 0.452 1.00 0.00 C ATOM 643 C LYS A 41 1.470 -14.896 -0.824 1.00 0.00 C ATOM 644 O LYS A 41 0.683 -15.667 -1.337 1.00 0.00 O ATOM 645 CB LYS A 41 -0.409 -14.147 0.642 1.00 0.00 C ATOM 646 CG LYS A 41 -0.829 -15.461 1.301 1.00 0.00 C ATOM 647 CD LYS A 41 -0.605 -15.370 2.812 1.00 0.00 C ATOM 648 CE LYS A 41 0.395 -16.444 3.244 1.00 0.00 C ATOM 649 NZ LYS A 41 -0.032 -17.025 4.548 1.00 0.00 N ATOM 0 H LYS A 41 1.352 -12.264 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 41 1.591 -14.605 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.717 -13.304 1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.907 -14.036 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.878 -15.666 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.253 -16.288 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.230 -14.381 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.550 -15.504 3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.454 -17.226 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.392 -16.012 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.648 -17.755 4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.067 -16.275 5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.975 -17.451 4.446 1.00 0.00 H new ATOM 663 N GLY A 42 2.652 -14.694 -1.343 1.00 0.00 N ATOM 664 CA GLY A 42 3.050 -15.415 -2.588 1.00 0.00 C ATOM 665 C GLY A 42 4.505 -15.089 -2.940 1.00 0.00 C ATOM 666 O GLY A 42 5.416 -15.387 -2.194 1.00 0.00 O ATOM 0 H GLY A 42 3.357 -14.064 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.933 -16.490 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.395 -15.127 -3.410 1.00 0.00 H new ATOM 670 N MET A 43 4.731 -14.483 -4.077 1.00 0.00 N ATOM 671 CA MET A 43 6.127 -14.145 -4.482 1.00 0.00 C ATOM 672 C MET A 43 6.894 -13.575 -3.284 1.00 0.00 C ATOM 673 O MET A 43 7.457 -14.306 -2.492 1.00 0.00 O ATOM 674 CB MET A 43 6.099 -13.110 -5.613 1.00 0.00 C ATOM 675 CG MET A 43 4.869 -12.213 -5.460 1.00 0.00 C ATOM 676 SD MET A 43 3.594 -12.727 -6.639 1.00 0.00 S ATOM 677 CE MET A 43 3.746 -11.321 -7.767 1.00 0.00 C ATOM 0 H MET A 43 4.008 -14.208 -4.742 1.00 0.00 H new ATOM 0 HA MET A 43 6.626 -15.049 -4.830 1.00 0.00 H new ATOM 0 HB2 MET A 43 7.006 -12.507 -5.589 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.076 -13.614 -6.579 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.484 -12.276 -4.442 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.141 -11.172 -5.634 1.00 0.00 H new ATOM 0 HE1 MET A 43 3.036 -11.434 -8.587 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.534 -10.398 -7.228 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.759 -11.283 -8.167 1.00 0.00 H new ATOM 687 N SER A 44 6.923 -12.277 -3.143 1.00 0.00 N ATOM 688 CA SER A 44 7.654 -11.665 -1.996 1.00 0.00 C ATOM 689 C SER A 44 7.223 -10.206 -1.844 1.00 0.00 C ATOM 690 O SER A 44 6.699 -9.609 -2.763 1.00 0.00 O ATOM 691 CB SER A 44 9.161 -11.721 -2.256 1.00 0.00 C ATOM 692 OG SER A 44 9.637 -13.029 -1.969 1.00 0.00 O ATOM 0 H SER A 44 6.472 -11.614 -3.773 1.00 0.00 H new ATOM 0 HA SER A 44 7.423 -12.216 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.373 -11.464 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.677 -10.989 -1.634 1.00 0.00 H new ATOM 0 HG SER A 44 8.876 -13.635 -1.849 1.00 0.00 H new ATOM 698 N THR A 45 7.432 -9.624 -0.693 1.00 0.00 N ATOM 699 CA THR A 45 7.024 -8.207 -0.505 1.00 0.00 C ATOM 700 C THR A 45 8.227 -7.352 -0.116 1.00 0.00 C ATOM 701 O THR A 45 9.121 -7.131 -0.906 1.00 0.00 O ATOM 702 CB THR A 45 5.926 -8.115 0.552 1.00 0.00 C ATOM 703 OG1 THR A 45 5.709 -6.753 0.900 1.00 0.00 O ATOM 704 CG2 THR A 45 6.329 -8.917 1.788 1.00 0.00 C ATOM 0 H THR A 45 7.864 -10.067 0.118 1.00 0.00 H new ATOM 0 HA THR A 45 6.630 -7.825 -1.447 1.00 0.00 H new ATOM 0 HB THR A 45 5.002 -8.529 0.150 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.787 -6.647 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.542 -8.848 2.539 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.477 -9.961 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.256 -8.515 2.196 1.00 0.00 H new ATOM 712 N LEU A 46 8.264 -6.838 1.072 1.00 0.00 N ATOM 713 CA LEU A 46 9.410 -5.972 1.426 1.00 0.00 C ATOM 714 C LEU A 46 9.514 -4.898 0.334 1.00 0.00 C ATOM 715 O LEU A 46 8.721 -3.978 0.283 1.00 0.00 O ATOM 716 CB LEU A 46 10.695 -6.804 1.478 1.00 0.00 C ATOM 717 CG LEU A 46 10.768 -7.566 2.803 1.00 0.00 C ATOM 718 CD1 LEU A 46 10.606 -9.064 2.542 1.00 0.00 C ATOM 719 CD2 LEU A 46 12.126 -7.311 3.460 1.00 0.00 C ATOM 0 H LEU A 46 7.565 -6.976 1.802 1.00 0.00 H new ATOM 0 HA LEU A 46 9.269 -5.514 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.719 -7.505 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.564 -6.154 1.374 1.00 0.00 H new ATOM 0 HG LEU A 46 9.971 -7.224 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.658 -9.606 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.641 -9.249 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.403 -9.407 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.181 -7.853 4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.921 -7.655 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.245 -6.244 3.647 1.00 0.00 H new ATOM 731 N ASP A 47 10.446 -5.027 -0.570 1.00 0.00 N ATOM 732 CA ASP A 47 10.553 -4.049 -1.682 1.00 0.00 C ATOM 733 C ASP A 47 9.702 -4.537 -2.830 1.00 0.00 C ATOM 734 O ASP A 47 10.194 -4.841 -3.897 1.00 0.00 O ATOM 735 CB ASP A 47 11.975 -3.947 -2.165 1.00 0.00 C ATOM 736 CG ASP A 47 12.640 -2.696 -1.586 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.439 -1.630 -2.143 1.00 0.00 O ATOM 738 OD2 ASP A 47 13.339 -2.827 -0.594 1.00 0.00 O ATOM 0 H ASP A 47 11.141 -5.774 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 47 10.223 -3.073 -1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.533 -4.835 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.995 -3.908 -3.254 1.00 0.00 H new ATOM 743 N GLU A 48 8.456 -4.664 -2.614 1.00 0.00 N ATOM 744 CA GLU A 48 7.583 -5.180 -3.660 1.00 0.00 C ATOM 745 C GLU A 48 6.316 -4.350 -3.686 1.00 0.00 C ATOM 746 O GLU A 48 5.965 -3.774 -4.687 1.00 0.00 O ATOM 747 CB GLU A 48 7.290 -6.622 -3.299 1.00 0.00 C ATOM 748 CG GLU A 48 7.575 -7.527 -4.489 1.00 0.00 C ATOM 749 CD GLU A 48 6.305 -7.701 -5.323 1.00 0.00 C ATOM 750 OE1 GLU A 48 5.229 -7.569 -4.763 1.00 0.00 O ATOM 751 OE2 GLU A 48 6.428 -7.964 -6.508 1.00 0.00 O ATOM 0 H GLU A 48 7.990 -4.428 -1.738 1.00 0.00 H new ATOM 0 HA GLU A 48 8.037 -5.128 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.901 -6.923 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.248 -6.725 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.368 -7.098 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.930 -8.498 -4.143 1.00 0.00 H new ATOM 758 N LEU A 49 5.653 -4.247 -2.578 1.00 0.00 N ATOM 759 CA LEU A 49 4.430 -3.403 -2.540 1.00 0.00 C ATOM 760 C LEU A 49 4.879 -1.953 -2.677 1.00 0.00 C ATOM 761 O LEU A 49 4.140 -1.104 -3.134 1.00 0.00 O ATOM 762 CB LEU A 49 3.634 -3.568 -1.230 1.00 0.00 C ATOM 763 CG LEU A 49 4.216 -4.682 -0.360 1.00 0.00 C ATOM 764 CD1 LEU A 49 3.368 -4.827 0.905 1.00 0.00 C ATOM 765 CD2 LEU A 49 4.198 -6.003 -1.134 1.00 0.00 C ATOM 0 H LEU A 49 5.899 -4.705 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 49 3.767 -3.708 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.643 -2.629 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.592 -3.791 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 49 5.243 -4.434 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.779 -5.620 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.377 -3.888 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.343 -5.076 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.614 -6.795 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.172 -6.253 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.796 -5.902 -2.040 1.00 0.00 H new ATOM 777 N PHE A 50 6.109 -1.663 -2.315 1.00 0.00 N ATOM 778 CA PHE A 50 6.601 -0.270 -2.474 1.00 0.00 C ATOM 779 C PHE A 50 7.010 -0.106 -3.924 1.00 0.00 C ATOM 780 O PHE A 50 6.567 0.784 -4.618 1.00 0.00 O ATOM 781 CB PHE A 50 7.812 -0.025 -1.578 1.00 0.00 C ATOM 782 CG PHE A 50 7.876 1.441 -1.200 1.00 0.00 C ATOM 783 CD1 PHE A 50 6.757 2.077 -0.648 1.00 0.00 C ATOM 784 CD2 PHE A 50 9.059 2.167 -1.408 1.00 0.00 C ATOM 785 CE1 PHE A 50 6.820 3.434 -0.302 1.00 0.00 C ATOM 786 CE2 PHE A 50 9.120 3.523 -1.062 1.00 0.00 C ATOM 787 CZ PHE A 50 8.001 4.155 -0.509 1.00 0.00 C ATOM 0 H PHE A 50 6.779 -2.325 -1.923 1.00 0.00 H new ATOM 0 HA PHE A 50 5.823 0.441 -2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.743 -0.640 -0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.725 -0.318 -2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.845 1.521 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.923 1.680 -1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.957 3.923 0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.031 4.081 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.049 5.200 -0.242 1.00 0.00 H new ATOM 797 N GLU A 51 7.842 -0.994 -4.385 1.00 0.00 N ATOM 798 CA GLU A 51 8.287 -0.939 -5.803 1.00 0.00 C ATOM 799 C GLU A 51 7.093 -1.250 -6.709 1.00 0.00 C ATOM 800 O GLU A 51 7.150 -1.088 -7.912 1.00 0.00 O ATOM 801 CB GLU A 51 9.399 -1.969 -6.029 1.00 0.00 C ATOM 802 CG GLU A 51 8.807 -3.381 -6.066 1.00 0.00 C ATOM 803 CD GLU A 51 8.388 -3.721 -7.496 1.00 0.00 C ATOM 804 OE1 GLU A 51 9.022 -3.222 -8.412 1.00 0.00 O ATOM 805 OE2 GLU A 51 7.443 -4.475 -7.652 1.00 0.00 O ATOM 0 H GLU A 51 8.235 -1.760 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 51 8.672 0.054 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.916 -1.758 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.140 -1.897 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.541 -4.104 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.947 -3.444 -5.399 1.00 0.00 H new ATOM 812 N GLU A 52 6.008 -1.690 -6.128 1.00 0.00 N ATOM 813 CA GLU A 52 4.791 -2.011 -6.930 1.00 0.00 C ATOM 814 C GLU A 52 4.205 -0.719 -7.501 1.00 0.00 C ATOM 815 O GLU A 52 3.529 -0.719 -8.510 1.00 0.00 O ATOM 816 CB GLU A 52 3.749 -2.654 -6.016 1.00 0.00 C ATOM 817 CG GLU A 52 3.879 -4.182 -6.057 1.00 0.00 C ATOM 818 CD GLU A 52 2.908 -4.754 -7.091 1.00 0.00 C ATOM 819 OE1 GLU A 52 1.713 -4.583 -6.912 1.00 0.00 O ATOM 820 OE2 GLU A 52 3.375 -5.356 -8.044 1.00 0.00 O ATOM 0 H GLU A 52 5.912 -1.842 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 52 5.056 -2.690 -7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.881 -2.298 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.748 -2.358 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.901 -4.463 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.667 -4.601 -5.074 1.00 0.00 H new ATOM 827 N LEU A 53 4.459 0.378 -6.849 1.00 0.00 N ATOM 828 CA LEU A 53 3.945 1.671 -7.299 1.00 0.00 C ATOM 829 C LEU A 53 5.057 2.704 -7.131 1.00 0.00 C ATOM 830 O LEU A 53 4.862 3.884 -7.338 1.00 0.00 O ATOM 831 CB LEU A 53 2.738 2.054 -6.437 1.00 0.00 C ATOM 832 CG LEU A 53 1.518 2.269 -7.328 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.941 3.061 -8.558 1.00 0.00 C ATOM 834 CD2 LEU A 53 0.954 0.913 -7.762 1.00 0.00 C ATOM 0 H LEU A 53 5.020 0.419 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 53 3.634 1.626 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.535 1.269 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.954 2.962 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 53 0.751 2.816 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.077 3.221 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.346 4.024 -8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.703 2.505 -9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.083 1.068 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.715 0.363 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.663 0.341 -6.881 1.00 0.00 H new ATOM 846 N ASP A 54 6.238 2.257 -6.774 1.00 0.00 N ATOM 847 CA ASP A 54 7.373 3.204 -6.618 1.00 0.00 C ATOM 848 C ASP A 54 7.847 3.620 -7.995 1.00 0.00 C ATOM 849 O ASP A 54 8.743 4.419 -8.162 1.00 0.00 O ATOM 850 CB ASP A 54 8.523 2.519 -5.896 1.00 0.00 C ATOM 851 CG ASP A 54 9.595 3.553 -5.545 1.00 0.00 C ATOM 852 OD1 ASP A 54 9.470 4.177 -4.504 1.00 0.00 O ATOM 853 OD2 ASP A 54 10.522 3.704 -6.325 1.00 0.00 O ATOM 0 H ASP A 54 6.459 1.279 -6.586 1.00 0.00 H new ATOM 0 HA ASP A 54 7.047 4.071 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.160 2.034 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.949 1.738 -6.527 1.00 0.00 H new ATOM 858 N LYS A 55 7.268 3.045 -8.979 1.00 0.00 N ATOM 859 CA LYS A 55 7.660 3.343 -10.353 1.00 0.00 C ATOM 860 C LYS A 55 7.147 4.731 -10.722 1.00 0.00 C ATOM 861 O LYS A 55 7.922 5.659 -10.814 1.00 0.00 O ATOM 862 CB LYS A 55 7.081 2.240 -11.201 1.00 0.00 C ATOM 863 CG LYS A 55 7.682 0.903 -10.725 1.00 0.00 C ATOM 864 CD LYS A 55 9.196 1.059 -10.459 1.00 0.00 C ATOM 865 CE LYS A 55 9.452 1.586 -9.030 1.00 0.00 C ATOM 866 NZ LYS A 55 10.584 0.831 -8.418 1.00 0.00 N ATOM 0 H LYS A 55 6.517 2.361 -8.886 1.00 0.00 H new ATOM 0 HA LYS A 55 8.739 3.371 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.995 2.222 -11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.312 2.408 -12.253 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.178 0.573 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.516 0.133 -11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.694 0.098 -10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.629 1.745 -11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.684 2.651 -9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.554 1.472 -8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.802 1.230 -7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.319 -0.169 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.422 0.906 -9.030 1.00 0.00 H new ATOM 880 N ASN A 56 5.868 4.937 -10.859 1.00 0.00 N ATOM 881 CA ASN A 56 5.442 6.335 -11.116 1.00 0.00 C ATOM 882 C ASN A 56 5.073 6.958 -9.787 1.00 0.00 C ATOM 883 O ASN A 56 5.128 8.158 -9.605 1.00 0.00 O ATOM 884 CB ASN A 56 4.352 6.472 -12.172 1.00 0.00 C ATOM 885 CG ASN A 56 5.066 6.971 -13.425 1.00 0.00 C ATOM 886 OD1 ASN A 56 4.826 6.502 -14.520 1.00 0.00 O ATOM 887 ND2 ASN A 56 5.953 7.932 -13.282 1.00 0.00 N ATOM 0 H ASN A 56 5.131 4.234 -10.807 1.00 0.00 H new ATOM 0 HA ASN A 56 6.275 6.881 -11.560 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.859 5.517 -12.354 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.581 7.173 -11.853 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.450 8.293 -14.097 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.144 8.316 -12.357 1.00 0.00 H new ATOM 894 N GLY A 57 4.853 6.127 -8.812 1.00 0.00 N ATOM 895 CA GLY A 57 4.661 6.629 -7.435 1.00 0.00 C ATOM 896 C GLY A 57 6.068 6.504 -6.865 1.00 0.00 C ATOM 897 O GLY A 57 6.307 5.895 -5.844 1.00 0.00 O ATOM 0 H GLY A 57 4.798 5.114 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.303 7.658 -7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.939 6.032 -6.878 1.00 0.00 H new ATOM 901 N ASP A 58 7.003 7.045 -7.611 1.00 0.00 N ATOM 902 CA ASP A 58 8.463 6.964 -7.289 1.00 0.00 C ATOM 903 C ASP A 58 8.830 7.977 -6.207 1.00 0.00 C ATOM 904 O ASP A 58 9.908 8.537 -6.201 1.00 0.00 O ATOM 905 CB ASP A 58 9.266 7.273 -8.573 1.00 0.00 C ATOM 906 CG ASP A 58 10.762 7.213 -8.261 1.00 0.00 C ATOM 907 OD1 ASP A 58 11.267 6.117 -8.081 1.00 0.00 O ATOM 908 OD2 ASP A 58 11.378 8.265 -8.203 1.00 0.00 O ATOM 0 H ASP A 58 6.802 7.562 -8.467 1.00 0.00 H new ATOM 0 HA ASP A 58 8.697 5.965 -6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.017 6.554 -9.353 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.001 8.260 -8.952 1.00 0.00 H new ATOM 913 N GLY A 59 7.945 8.200 -5.291 1.00 0.00 N ATOM 914 CA GLY A 59 8.215 9.156 -4.193 1.00 0.00 C ATOM 915 C GLY A 59 7.254 8.856 -3.047 1.00 0.00 C ATOM 916 O GLY A 59 7.640 8.828 -1.897 1.00 0.00 O ATOM 0 H GLY A 59 7.029 7.753 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.248 9.065 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.083 10.180 -4.541 1.00 0.00 H new ATOM 920 N GLU A 60 5.998 8.629 -3.348 1.00 0.00 N ATOM 921 CA GLU A 60 5.026 8.330 -2.252 1.00 0.00 C ATOM 922 C GLU A 60 3.889 7.433 -2.755 1.00 0.00 C ATOM 923 O GLU A 60 3.481 7.506 -3.897 1.00 0.00 O ATOM 924 CB GLU A 60 4.417 9.632 -1.728 1.00 0.00 C ATOM 925 CG GLU A 60 5.520 10.646 -1.412 1.00 0.00 C ATOM 926 CD GLU A 60 6.308 10.179 -0.187 1.00 0.00 C ATOM 927 OE1 GLU A 60 5.918 9.183 0.400 1.00 0.00 O ATOM 928 OE2 GLU A 60 7.288 10.826 0.145 1.00 0.00 O ATOM 0 H GLU A 60 5.609 8.638 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 60 5.567 7.815 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.734 10.046 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.830 9.432 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.187 10.752 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.084 11.627 -1.224 1.00 0.00 H new ATOM 935 N VAL A 61 3.363 6.597 -1.892 1.00 0.00 N ATOM 936 CA VAL A 61 2.237 5.700 -2.291 1.00 0.00 C ATOM 937 C VAL A 61 0.954 6.178 -1.629 1.00 0.00 C ATOM 938 O VAL A 61 0.527 5.670 -0.613 1.00 0.00 O ATOM 939 CB VAL A 61 2.538 4.295 -1.832 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.452 3.346 -2.340 1.00 0.00 C ATOM 941 CG2 VAL A 61 3.889 3.892 -2.397 1.00 0.00 C ATOM 0 H VAL A 61 3.668 6.498 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 61 2.119 5.718 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 61 2.560 4.246 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.671 2.331 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.484 3.656 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.426 3.373 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.129 2.878 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.854 3.931 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.655 4.577 -2.033 1.00 0.00 H new ATOM 951 N SER A 62 0.346 7.155 -2.204 1.00 0.00 N ATOM 952 CA SER A 62 -0.909 7.717 -1.625 1.00 0.00 C ATOM 953 C SER A 62 -2.069 6.758 -1.834 1.00 0.00 C ATOM 954 O SER A 62 -1.888 5.602 -2.142 1.00 0.00 O ATOM 955 CB SER A 62 -1.218 9.052 -2.302 1.00 0.00 C ATOM 956 OG SER A 62 -2.215 8.857 -3.297 1.00 0.00 O ATOM 0 H SER A 62 0.660 7.604 -3.064 1.00 0.00 H new ATOM 0 HA SER A 62 -0.771 7.866 -0.554 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.562 9.776 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.314 9.462 -2.753 1.00 0.00 H new ATOM 0 HG SER A 62 -2.416 9.712 -3.731 1.00 0.00 H new ATOM 962 N PHE A 63 -3.259 7.251 -1.673 1.00 0.00 N ATOM 963 CA PHE A 63 -4.466 6.412 -1.857 1.00 0.00 C ATOM 964 C PHE A 63 -4.724 6.227 -3.352 1.00 0.00 C ATOM 965 O PHE A 63 -4.451 5.204 -3.890 1.00 0.00 O ATOM 966 CB PHE A 63 -5.659 7.122 -1.233 1.00 0.00 C ATOM 967 CG PHE A 63 -6.780 6.145 -1.253 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.681 4.990 -0.485 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.877 6.356 -2.077 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.687 4.038 -0.524 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.888 5.404 -2.134 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.802 4.235 -1.357 1.00 0.00 C ATOM 0 H PHE A 63 -3.449 8.220 -1.416 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.319 5.441 -1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.435 7.437 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.915 8.020 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.817 4.834 0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.945 7.256 -2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.615 3.148 0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.742 5.562 -2.776 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.587 3.494 -1.400 1.00 0.00 H new ATOM 982 N GLU A 64 -5.233 7.214 -4.022 1.00 0.00 N ATOM 983 CA GLU A 64 -5.550 7.066 -5.493 1.00 0.00 C ATOM 984 C GLU A 64 -4.539 6.176 -6.233 1.00 0.00 C ATOM 985 O GLU A 64 -4.928 5.433 -7.112 1.00 0.00 O ATOM 986 CB GLU A 64 -5.598 8.448 -6.137 1.00 0.00 C ATOM 987 CG GLU A 64 -6.920 9.116 -5.755 1.00 0.00 C ATOM 988 CD GLU A 64 -7.356 10.070 -6.870 1.00 0.00 C ATOM 989 OE1 GLU A 64 -6.539 10.872 -7.290 1.00 0.00 O ATOM 990 OE2 GLU A 64 -8.501 9.983 -7.284 1.00 0.00 O ATOM 0 H GLU A 64 -5.450 8.129 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.519 6.574 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.757 9.053 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.515 8.364 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.687 8.359 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.805 9.663 -4.819 1.00 0.00 H new ATOM 997 N GLU A 65 -3.272 6.184 -5.912 1.00 0.00 N ATOM 998 CA GLU A 65 -2.369 5.259 -6.663 1.00 0.00 C ATOM 999 C GLU A 65 -2.488 3.865 -6.031 1.00 0.00 C ATOM 1000 O GLU A 65 -2.588 2.863 -6.711 1.00 0.00 O ATOM 1001 CB GLU A 65 -0.920 5.756 -6.633 1.00 0.00 C ATOM 1002 CG GLU A 65 -0.446 5.953 -5.197 1.00 0.00 C ATOM 1003 CD GLU A 65 0.989 6.478 -5.222 1.00 0.00 C ATOM 1004 OE1 GLU A 65 1.891 5.672 -5.397 1.00 0.00 O ATOM 1005 OE2 GLU A 65 1.165 7.676 -5.072 1.00 0.00 O ATOM 0 H GLU A 65 -2.836 6.763 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.666 5.220 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.274 5.039 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.842 6.696 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.097 6.656 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.494 5.011 -4.651 1.00 0.00 H new ATOM 1012 N PHE A 66 -2.524 3.816 -4.732 1.00 0.00 N ATOM 1013 CA PHE A 66 -2.689 2.528 -4.001 1.00 0.00 C ATOM 1014 C PHE A 66 -4.134 2.033 -4.137 1.00 0.00 C ATOM 1015 O PHE A 66 -4.431 0.879 -4.146 1.00 0.00 O ATOM 1016 CB PHE A 66 -2.474 2.814 -2.497 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.328 1.824 -1.771 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -4.696 2.093 -1.666 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -2.820 0.590 -1.411 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -5.552 1.146 -1.191 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -3.688 -0.384 -0.950 1.00 0.00 C ATOM 1022 CZ PHE A 66 -5.052 -0.100 -0.849 1.00 0.00 C ATOM 0 H PHE A 66 -2.444 4.635 -4.129 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.989 1.793 -4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.425 2.701 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.761 3.836 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.077 3.059 -1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.762 0.389 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.604 1.363 -1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.313 -1.357 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.729 -0.865 -0.498 1.00 0.00 H new ATOM 1032 N GLN A 67 -5.045 2.897 -4.035 1.00 0.00 N ATOM 1033 CA GLN A 67 -6.424 2.454 -3.962 1.00 0.00 C ATOM 1034 C GLN A 67 -6.760 1.647 -5.214 1.00 0.00 C ATOM 1035 O GLN A 67 -7.676 0.849 -5.221 1.00 0.00 O ATOM 1036 CB GLN A 67 -7.282 3.674 -3.623 1.00 0.00 C ATOM 1037 CG GLN A 67 -7.118 4.753 -4.665 1.00 0.00 C ATOM 1038 CD GLN A 67 -7.842 4.328 -5.902 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -7.726 4.947 -6.942 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -8.596 3.291 -5.840 1.00 0.00 N ATOM 0 H GLN A 67 -4.901 3.906 -3.998 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.634 1.745 -3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.330 3.380 -3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.000 4.062 -2.644 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.517 5.699 -4.298 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.062 4.915 -4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.687 2.778 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.104 2.980 -6.668 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.940 1.742 -6.226 1.00 0.00 N ATOM 1050 CA VAL A 68 -6.129 0.861 -7.405 1.00 0.00 C ATOM 1051 C VAL A 68 -5.326 -0.395 -7.059 1.00 0.00 C ATOM 1052 O VAL A 68 -5.668 -1.506 -7.399 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.595 1.525 -8.679 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -6.471 1.129 -9.868 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -5.625 3.048 -8.516 1.00 0.00 C ATOM 0 H VAL A 68 -5.153 2.389 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.179 0.645 -7.604 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.570 1.196 -8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.091 1.602 -10.774 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.453 0.046 -9.989 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.495 1.457 -9.690 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.245 3.519 -9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.650 3.375 -8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.002 3.336 -7.669 1.00 0.00 H new ATOM 1065 N LEU A 69 -4.285 -0.175 -6.307 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.413 -1.266 -5.784 1.00 0.00 C ATOM 1067 C LEU A 69 -4.243 -2.510 -5.476 1.00 0.00 C ATOM 1068 O LEU A 69 -3.978 -3.582 -5.974 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.783 -0.759 -4.494 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.820 -1.762 -3.984 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -0.968 -2.351 -5.111 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.911 -1.150 -2.918 1.00 0.00 C ATOM 0 H LEU A 69 -3.990 0.759 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.657 -1.530 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.276 0.189 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.556 -0.571 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.403 -2.568 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.274 -3.083 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.616 -2.837 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.407 -1.553 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.212 -1.905 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.355 -0.317 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.517 -0.791 -2.086 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.233 -2.373 -4.645 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.088 -3.549 -4.284 1.00 0.00 C ATOM 1086 C VAL A 70 -6.509 -4.289 -5.556 1.00 0.00 C ATOM 1087 O VAL A 70 -6.388 -5.494 -5.653 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.335 -3.078 -3.531 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -7.047 -3.066 -2.029 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -7.713 -1.669 -3.986 1.00 0.00 C ATOM 0 H VAL A 70 -5.494 -1.496 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.516 -4.221 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.161 -3.758 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.934 -2.731 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.782 -4.071 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.219 -2.387 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.601 -1.339 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.888 -0.987 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.920 -1.675 -5.056 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.003 -3.581 -6.531 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.421 -4.250 -7.796 1.00 0.00 C ATOM 1102 C LYS A 71 -6.195 -4.901 -8.446 1.00 0.00 C ATOM 1103 O LYS A 71 -6.289 -5.929 -9.087 1.00 0.00 O ATOM 1104 CB LYS A 71 -8.018 -3.212 -8.749 1.00 0.00 C ATOM 1105 CG LYS A 71 -8.822 -2.186 -7.947 1.00 0.00 C ATOM 1106 CD LYS A 71 -10.115 -1.852 -8.693 1.00 0.00 C ATOM 1107 CE LYS A 71 -9.790 -1.005 -9.925 1.00 0.00 C ATOM 1108 NZ LYS A 71 -10.163 -1.757 -11.157 1.00 0.00 N ATOM 0 H LYS A 71 -7.136 -2.570 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.170 -5.012 -7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.224 -2.714 -9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.660 -3.702 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.053 -2.582 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.232 -1.282 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.622 -2.769 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.797 -1.311 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.333 -0.061 -9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.728 -0.761 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.942 -1.182 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.626 -2.647 -11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.181 -1.968 -11.140 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.042 -4.309 -8.277 1.00 0.00 N ATOM 1123 CA LYS A 72 -3.802 -4.884 -8.872 1.00 0.00 C ATOM 1124 C LYS A 72 -3.256 -5.971 -7.944 1.00 0.00 C ATOM 1125 O LYS A 72 -2.361 -6.711 -8.296 1.00 0.00 O ATOM 1126 CB LYS A 72 -2.752 -3.780 -9.029 1.00 0.00 C ATOM 1127 CG LYS A 72 -1.420 -4.393 -9.471 1.00 0.00 C ATOM 1128 CD LYS A 72 -1.607 -5.112 -10.810 1.00 0.00 C ATOM 1129 CE LYS A 72 -0.336 -4.965 -11.650 1.00 0.00 C ATOM 1130 NZ LYS A 72 -0.649 -4.209 -12.894 1.00 0.00 N ATOM 0 H LYS A 72 -4.906 -3.447 -7.749 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.030 -5.312 -9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.088 -3.048 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.624 -3.250 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.663 -3.614 -9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.062 -5.094 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.824 -6.167 -10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.459 -4.692 -11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.432 -4.444 -11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.064 -5.948 -11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.214 -4.109 -13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.369 -4.723 -13.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.011 -3.266 -12.645 1.00 0.00 H new ATOM 1144 N ILE A 73 -3.795 -6.074 -6.759 1.00 0.00 N ATOM 1145 CA ILE A 73 -3.327 -7.102 -5.801 1.00 0.00 C ATOM 1146 C ILE A 73 -4.077 -8.413 -6.073 1.00 0.00 C ATOM 1147 O ILE A 73 -4.537 -9.090 -5.176 1.00 0.00 O ATOM 1148 CB ILE A 73 -3.619 -6.620 -4.381 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -2.717 -5.426 -4.041 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -3.348 -7.757 -3.399 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -3.342 -4.611 -2.901 1.00 0.00 C ATOM 0 H ILE A 73 -4.549 -5.479 -6.415 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.256 -7.269 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.662 -6.312 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.727 -5.778 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.585 -4.796 -4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.555 -7.418 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.991 -8.604 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.304 -8.062 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.698 -3.764 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.322 -4.246 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.451 -5.243 -2.019 1.00 0.00 H new