USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 516 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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.238 F(o=-1.7,f=0.24) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 1.05 (180deg=1.02) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -75:sc= 0.922 USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0186) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 73:sc= 0.908 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.372 USER MOD Single : A 100 LYS NZ :NH3+ -154:sc= 0.644 (180deg=0.189) USER MOD Single : A 107 LYS NZ :NH3+ -113:sc= 0.866 (180deg=-0.0377) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.335 -14.177 -5.665 1.00 0.00 N ATOM 88 CA GLU A 53 -2.423 -13.440 -5.045 1.00 0.00 C ATOM 89 C GLU A 53 -1.992 -12.915 -3.674 1.00 0.00 C ATOM 90 O GLU A 53 -2.256 -13.547 -2.651 1.00 0.00 O ATOM 91 CB GLU A 53 -3.677 -14.309 -4.930 1.00 0.00 C ATOM 92 CG GLU A 53 -4.261 -14.612 -6.311 1.00 0.00 C ATOM 93 CD GLU A 53 -5.484 -15.525 -6.201 1.00 0.00 C ATOM 94 OE1 GLU A 53 -6.300 -15.273 -5.287 1.00 0.00 O ATOM 95 OE2 GLU A 53 -5.576 -16.454 -7.032 1.00 0.00 O ATOM 0 HA GLU A 53 -2.668 -12.588 -5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.432 -15.242 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.422 -13.799 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.541 -13.681 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.503 -15.087 -6.934 1.00 0.00 H new ATOM 102 N PHE A 54 -1.339 -11.763 -3.695 1.00 0.00 N ATOM 103 CA PHE A 54 -0.893 -11.131 -2.464 1.00 0.00 C ATOM 104 C PHE A 54 -1.625 -9.809 -2.230 1.00 0.00 C ATOM 105 O PHE A 54 -1.942 -9.093 -3.179 1.00 0.00 O ATOM 106 CB PHE A 54 0.603 -10.852 -2.622 1.00 0.00 C ATOM 107 CG PHE A 54 1.468 -12.112 -2.686 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.668 -12.741 -3.875 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.037 -12.605 -1.553 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.472 -13.911 -3.934 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.841 -13.774 -1.611 1.00 0.00 C ATOM 112 CZ PHE A 54 3.041 -14.402 -2.801 1.00 0.00 C ATOM 0 H PHE A 54 -1.107 -11.250 -4.546 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.098 -11.783 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.760 -10.270 -3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.937 -10.236 -1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.216 -12.351 -4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.877 -12.107 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.631 -14.410 -4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.293 -14.164 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.652 -15.291 -2.846 1.00 0.00 H new ATOM 122 N ASP A 55 -1.870 -9.523 -0.960 1.00 0.00 N ATOM 123 CA ASP A 55 -2.556 -8.297 -0.587 1.00 0.00 C ATOM 124 C ASP A 55 -1.557 -7.333 0.054 1.00 0.00 C ATOM 125 O ASP A 55 -0.714 -7.744 0.850 1.00 0.00 O ATOM 126 CB ASP A 55 -3.666 -8.573 0.430 1.00 0.00 C ATOM 127 CG ASP A 55 -4.514 -9.813 0.139 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.707 -10.101 -1.062 1.00 0.00 O ATOM 129 OD2 ASP A 55 -4.953 -10.444 1.126 1.00 0.00 O ATOM 0 H ASP A 55 -1.606 -10.119 -0.176 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.992 -7.868 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.216 -8.682 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.323 -7.704 0.474 1.00 0.00 H new ATOM 134 N VAL A 56 -1.684 -6.067 -0.315 1.00 0.00 N ATOM 135 CA VAL A 56 -0.793 -5.043 0.203 1.00 0.00 C ATOM 136 C VAL A 56 -1.572 -4.124 1.146 1.00 0.00 C ATOM 137 O VAL A 56 -2.446 -3.376 0.708 1.00 0.00 O ATOM 138 CB VAL A 56 -0.132 -4.289 -0.952 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.878 -3.264 -0.434 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.528 -5.261 -1.934 1.00 0.00 C ATOM 0 H VAL A 56 -2.391 -5.727 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 56 0.012 -5.497 0.781 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.912 -3.748 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.332 -2.743 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.369 -2.544 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.653 -3.774 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.991 -4.700 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.290 -5.842 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.226 -5.934 -2.342 1.00 0.00 H new ATOM 150 N ILE A 57 -1.230 -4.212 2.423 1.00 0.00 N ATOM 151 CA ILE A 57 -1.878 -3.389 3.430 1.00 0.00 C ATOM 152 C ILE A 57 -0.907 -2.305 3.899 1.00 0.00 C ATOM 153 O ILE A 57 0.299 -2.536 3.971 1.00 0.00 O ATOM 154 CB ILE A 57 -2.425 -4.260 4.564 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.714 -4.967 4.139 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.613 -3.441 5.841 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.412 -6.338 3.532 1.00 0.00 C ATOM 0 H ILE A 57 -0.512 -4.841 2.783 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.743 -2.879 3.006 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.691 -5.035 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.370 -5.084 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.247 -4.353 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.002 -4.083 6.631 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.654 -3.025 6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.316 -2.630 5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.345 -6.819 3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.775 -6.216 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.900 -6.957 4.269 1.00 0.00 H new ATOM 169 N LEU A 58 -1.468 -1.145 4.209 1.00 0.00 N ATOM 170 CA LEU A 58 -0.677 -0.051 4.747 1.00 0.00 C ATOM 171 C LEU A 58 -0.904 0.043 6.257 1.00 0.00 C ATOM 172 O LEU A 58 -2.008 0.351 6.703 1.00 0.00 O ATOM 173 CB LEU A 58 -0.980 1.248 3.997 1.00 0.00 C ATOM 174 CG LEU A 58 -0.406 2.527 4.611 1.00 0.00 C ATOM 175 CD1 LEU A 58 1.119 2.443 4.723 1.00 0.00 C ATOM 176 CD2 LEU A 58 -0.855 3.760 3.828 1.00 0.00 C ATOM 0 H LEU A 58 -2.461 -0.939 4.098 1.00 0.00 H new ATOM 0 HA LEU A 58 0.386 -0.239 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.599 1.154 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.062 1.358 3.923 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.799 2.628 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.503 3.364 5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.391 1.598 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.550 2.307 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.433 4.655 4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.510 3.682 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.943 3.824 3.842 1.00 0.00 H new ATOM 188 N LYS A 59 0.157 -0.228 7.002 1.00 0.00 N ATOM 189 CA LYS A 59 0.068 -0.254 8.451 1.00 0.00 C ATOM 190 C LYS A 59 0.403 1.134 9.001 1.00 0.00 C ATOM 191 O LYS A 59 -0.394 1.728 9.726 1.00 0.00 O ATOM 192 CB LYS A 59 0.944 -1.370 9.023 1.00 0.00 C ATOM 193 CG LYS A 59 0.247 -2.727 8.908 1.00 0.00 C ATOM 194 CD LYS A 59 -0.737 -2.938 10.059 1.00 0.00 C ATOM 195 CE LYS A 59 -0.075 -3.694 11.214 1.00 0.00 C ATOM 196 NZ LYS A 59 -1.000 -3.796 12.365 1.00 0.00 N ATOM 0 H LYS A 59 1.084 -0.432 6.628 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.949 -0.487 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.895 -1.399 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.170 -1.160 10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.282 -2.788 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.991 -3.523 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.101 -1.973 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.604 -3.496 9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.216 -4.691 10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.837 -3.180 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.535 -4.312 13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.257 -2.842 12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.859 -4.306 12.076 1.00 0.00 H new ATOM 210 N ALA A 60 1.585 1.611 8.637 1.00 0.00 N ATOM 211 CA ALA A 60 2.051 2.902 9.115 1.00 0.00 C ATOM 212 C ALA A 60 2.696 3.668 7.958 1.00 0.00 C ATOM 213 O ALA A 60 3.594 3.154 7.294 1.00 0.00 O ATOM 214 CB ALA A 60 3.014 2.696 10.286 1.00 0.00 C ATOM 0 H ALA A 60 2.234 1.126 8.017 1.00 0.00 H new ATOM 0 HA ALA A 60 1.216 3.499 9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.363 3.664 10.644 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.499 2.175 11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.866 2.102 9.956 1.00 0.00 H new ATOM 220 N ALA A 61 2.211 4.882 7.751 1.00 0.00 N ATOM 221 CA ALA A 61 2.750 5.737 6.707 1.00 0.00 C ATOM 222 C ALA A 61 4.193 6.109 7.053 1.00 0.00 C ATOM 223 O ALA A 61 5.002 6.368 6.164 1.00 0.00 O ATOM 224 CB ALA A 61 1.855 6.966 6.538 1.00 0.00 C ATOM 0 H ALA A 61 1.449 5.295 8.289 1.00 0.00 H new ATOM 0 HA ALA A 61 2.765 5.212 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.260 7.606 5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.849 6.649 6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.817 7.520 7.476 1.00 0.00 H new ATOM 230 N GLY A 62 4.472 6.125 8.348 1.00 0.00 N ATOM 231 CA GLY A 62 5.799 6.474 8.824 1.00 0.00 C ATOM 232 C GLY A 62 5.997 7.991 8.831 1.00 0.00 C ATOM 233 O GLY A 62 5.030 8.748 8.775 1.00 0.00 O ATOM 0 H GLY A 62 3.801 5.902 9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.944 6.080 9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.552 6.008 8.188 1.00 0.00 H new ATOM 237 N ALA A 63 7.258 8.391 8.899 1.00 0.00 N ATOM 238 CA ALA A 63 7.594 9.803 8.962 1.00 0.00 C ATOM 239 C ALA A 63 7.755 10.349 7.541 1.00 0.00 C ATOM 240 O ALA A 63 8.625 11.179 7.286 1.00 0.00 O ATOM 241 CB ALA A 63 8.857 9.992 9.803 1.00 0.00 C ATOM 0 H ALA A 63 8.060 7.761 8.912 1.00 0.00 H new ATOM 0 HA ALA A 63 6.794 10.365 9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.108 11.052 9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.683 9.616 10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.682 9.443 9.349 1.00 0.00 H new ATOM 247 N ASN A 64 6.902 9.859 6.653 1.00 0.00 N ATOM 248 CA ASN A 64 6.942 10.283 5.264 1.00 0.00 C ATOM 249 C ASN A 64 5.555 10.107 4.641 1.00 0.00 C ATOM 250 O ASN A 64 5.401 9.387 3.656 1.00 0.00 O ATOM 251 CB ASN A 64 7.932 9.438 4.460 1.00 0.00 C ATOM 252 CG ASN A 64 8.653 10.289 3.411 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.893 11.236 2.868 1.00 0.00 O flip ATOM 254 ND2 ASN A 64 9.821 10.098 3.117 1.00 0.00 N flip ATOM 0 H ASN A 64 6.179 9.172 6.869 1.00 0.00 H new ATOM 0 HA ASN A 64 7.254 11.327 5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.662 8.988 5.133 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.404 8.620 3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.346 9.352 3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.272 10.684 2.415 1.00 0.00 H new ATOM 261 N LYS A 65 4.583 10.775 5.243 1.00 0.00 N ATOM 262 CA LYS A 65 3.207 10.669 4.785 1.00 0.00 C ATOM 263 C LYS A 65 3.097 11.261 3.378 1.00 0.00 C ATOM 264 O LYS A 65 2.284 10.808 2.573 1.00 0.00 O ATOM 265 CB LYS A 65 2.256 11.309 5.797 1.00 0.00 C ATOM 266 CG LYS A 65 0.923 10.556 5.849 1.00 0.00 C ATOM 267 CD LYS A 65 0.097 10.987 7.062 1.00 0.00 C ATOM 268 CE LYS A 65 -0.562 12.347 6.821 1.00 0.00 C ATOM 269 NZ LYS A 65 -1.381 12.740 7.989 1.00 0.00 N ATOM 0 H LYS A 65 4.720 11.392 6.044 1.00 0.00 H new ATOM 0 HA LYS A 65 2.906 9.623 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.717 11.309 6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.079 12.350 5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.359 10.744 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.109 9.483 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.669 10.239 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.737 11.040 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.203 13.101 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.187 12.302 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.901 13.614 7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.057 11.981 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.762 12.902 8.809 1.00 0.00 H new ATOM 283 N VAL A 66 3.926 12.264 3.126 1.00 0.00 N ATOM 284 CA VAL A 66 3.891 12.959 1.851 1.00 0.00 C ATOM 285 C VAL A 66 4.099 11.952 0.718 1.00 0.00 C ATOM 286 O VAL A 66 3.297 11.884 -0.212 1.00 0.00 O ATOM 287 CB VAL A 66 4.924 14.088 1.843 1.00 0.00 C ATOM 288 CG1 VAL A 66 5.125 14.639 0.429 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.527 15.202 2.813 1.00 0.00 C ATOM 0 H VAL A 66 4.625 12.611 3.783 1.00 0.00 H new ATOM 0 HA VAL A 66 2.917 13.424 1.697 1.00 0.00 H new ATOM 0 HB VAL A 66 5.874 13.673 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.864 15.440 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.475 13.841 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.179 15.029 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.278 15.991 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.560 15.612 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.459 14.798 3.823 1.00 0.00 H new ATOM 299 N ALA A 67 5.179 11.193 0.834 1.00 0.00 N ATOM 300 CA ALA A 67 5.542 10.244 -0.205 1.00 0.00 C ATOM 301 C ALA A 67 4.478 9.148 -0.282 1.00 0.00 C ATOM 302 O ALA A 67 4.150 8.672 -1.367 1.00 0.00 O ATOM 303 CB ALA A 67 6.937 9.684 0.082 1.00 0.00 C ATOM 0 H ALA A 67 5.814 11.216 1.632 1.00 0.00 H new ATOM 0 HA ALA A 67 5.581 10.734 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.211 8.972 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.660 10.499 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.935 9.181 1.049 1.00 0.00 H new ATOM 309 N VAL A 68 3.966 8.779 0.884 1.00 0.00 N ATOM 310 CA VAL A 68 2.956 7.738 0.963 1.00 0.00 C ATOM 311 C VAL A 68 1.747 8.141 0.117 1.00 0.00 C ATOM 312 O VAL A 68 1.397 7.453 -0.840 1.00 0.00 O ATOM 313 CB VAL A 68 2.600 7.466 2.426 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.318 6.636 2.531 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.757 6.782 3.155 1.00 0.00 C ATOM 0 H VAL A 68 4.233 9.183 1.782 1.00 0.00 H new ATOM 0 HA VAL A 68 3.338 6.802 0.556 1.00 0.00 H new ATOM 0 HB VAL A 68 2.420 8.425 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.086 6.456 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.495 7.178 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.459 5.683 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.477 6.601 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.983 5.833 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.637 7.424 3.124 1.00 0.00 H new ATOM 325 N ILE A 69 1.142 9.256 0.502 1.00 0.00 N ATOM 326 CA ILE A 69 -0.051 9.732 -0.177 1.00 0.00 C ATOM 327 C ILE A 69 0.179 9.699 -1.689 1.00 0.00 C ATOM 328 O ILE A 69 -0.733 9.389 -2.453 1.00 0.00 O ATOM 329 CB ILE A 69 -0.457 11.109 0.353 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.056 11.000 1.757 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.402 11.815 -0.621 1.00 0.00 C ATOM 332 CD1 ILE A 69 -1.164 12.377 2.414 1.00 0.00 C ATOM 0 H ILE A 69 1.456 9.843 1.275 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.895 9.074 0.032 1.00 0.00 H new ATOM 0 HB ILE A 69 0.440 11.723 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.043 10.541 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.436 10.347 2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.675 12.791 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.904 11.944 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.301 11.214 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.593 12.272 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.172 12.822 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.804 13.019 1.810 1.00 0.00 H new ATOM 344 N LYS A 70 1.404 10.022 -2.075 1.00 0.00 N ATOM 345 CA LYS A 70 1.766 10.037 -3.483 1.00 0.00 C ATOM 346 C LYS A 70 1.685 8.614 -4.040 1.00 0.00 C ATOM 347 O LYS A 70 1.033 8.378 -5.058 1.00 0.00 O ATOM 348 CB LYS A 70 3.132 10.697 -3.680 1.00 0.00 C ATOM 349 CG LYS A 70 3.012 12.222 -3.643 1.00 0.00 C ATOM 350 CD LYS A 70 4.294 12.884 -4.154 1.00 0.00 C ATOM 351 CE LYS A 70 4.143 14.406 -4.202 1.00 0.00 C ATOM 352 NZ LYS A 70 4.204 14.977 -2.839 1.00 0.00 N ATOM 0 H LYS A 70 2.159 10.275 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 70 1.061 10.644 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.817 10.363 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.557 10.385 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.166 12.539 -4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.810 12.550 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.129 12.618 -3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.531 12.507 -5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.932 14.836 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.194 14.668 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.100 16.010 -2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.436 14.580 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.120 14.743 -2.405 1.00 0.00 H new ATOM 366 N ALA A 71 2.356 7.703 -3.351 1.00 0.00 N ATOM 367 CA ALA A 71 2.379 6.313 -3.772 1.00 0.00 C ATOM 368 C ALA A 71 0.944 5.801 -3.902 1.00 0.00 C ATOM 369 O ALA A 71 0.606 5.128 -4.876 1.00 0.00 O ATOM 370 CB ALA A 71 3.204 5.492 -2.778 1.00 0.00 C ATOM 0 H ALA A 71 2.888 7.901 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 71 2.854 6.215 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.221 4.449 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.223 5.878 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.756 5.564 -1.787 1.00 0.00 H new ATOM 376 N VAL A 72 0.137 6.137 -2.907 1.00 0.00 N ATOM 377 CA VAL A 72 -1.239 5.670 -2.868 1.00 0.00 C ATOM 378 C VAL A 72 -1.971 6.153 -4.120 1.00 0.00 C ATOM 379 O VAL A 72 -2.234 5.369 -5.032 1.00 0.00 O ATOM 380 CB VAL A 72 -1.909 6.127 -1.571 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.413 5.843 -1.602 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.254 5.469 -0.353 1.00 0.00 C ATOM 0 H VAL A 72 0.409 6.727 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.274 4.581 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.771 7.205 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.866 6.177 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.867 6.377 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.579 4.772 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.749 5.811 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.347 4.386 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.199 5.741 -0.316 1.00 0.00 H new ATOM 392 N ARG A 73 -2.282 7.441 -4.126 1.00 0.00 N ATOM 393 CA ARG A 73 -3.014 8.028 -5.235 1.00 0.00 C ATOM 394 C ARG A 73 -2.371 7.634 -6.566 1.00 0.00 C ATOM 395 O ARG A 73 -3.058 7.505 -7.578 1.00 0.00 O ATOM 396 CB ARG A 73 -3.048 9.555 -5.127 1.00 0.00 C ATOM 397 CG ARG A 73 -1.693 10.161 -5.491 1.00 0.00 C ATOM 398 CD ARG A 73 -1.673 11.666 -5.222 1.00 0.00 C ATOM 399 NE ARG A 73 -0.579 12.304 -5.989 1.00 0.00 N ATOM 400 CZ ARG A 73 -0.644 12.584 -7.298 1.00 0.00 C ATOM 401 NH1 ARG A 73 -1.734 12.250 -8.002 1.00 0.00 N ATOM 402 NH2 ARG A 73 0.382 13.199 -7.901 1.00 0.00 N ATOM 0 H ARG A 73 -2.040 8.094 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.035 7.648 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.818 9.953 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.319 9.845 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.907 9.675 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.478 9.974 -6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.630 12.106 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.537 11.851 -4.157 1.00 0.00 H new ATOM 0 HE ARG A 73 0.277 12.545 -5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.515 11.782 -7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.783 12.463 -8.998 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.211 13.453 -7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.334 13.413 -8.897 1.00 0.00 H new ATOM 416 N GLY A 74 -1.060 7.451 -6.521 1.00 0.00 N ATOM 417 CA GLY A 74 -0.309 7.124 -7.721 1.00 0.00 C ATOM 418 C GLY A 74 -0.596 5.692 -8.174 1.00 0.00 C ATOM 419 O GLY A 74 -0.593 5.402 -9.369 1.00 0.00 O ATOM 0 H GLY A 74 -0.498 7.523 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.569 7.820 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.758 7.242 -7.530 1.00 0.00 H new ATOM 423 N ALA A 75 -0.838 4.833 -7.194 1.00 0.00 N ATOM 424 CA ALA A 75 -1.068 3.426 -7.472 1.00 0.00 C ATOM 425 C ALA A 75 -2.551 3.209 -7.785 1.00 0.00 C ATOM 426 O ALA A 75 -2.918 2.215 -8.410 1.00 0.00 O ATOM 427 CB ALA A 75 -0.594 2.586 -6.286 1.00 0.00 C ATOM 0 H ALA A 75 -0.880 5.085 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.496 3.109 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.767 1.530 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.471 2.754 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.147 2.874 -5.392 1.00 0.00 H new ATOM 433 N THR A 76 -3.362 4.154 -7.335 1.00 0.00 N ATOM 434 CA THR A 76 -4.800 4.056 -7.519 1.00 0.00 C ATOM 435 C THR A 76 -5.305 5.205 -8.394 1.00 0.00 C ATOM 436 O THR A 76 -5.631 5.002 -9.563 1.00 0.00 O ATOM 437 CB THR A 76 -5.451 4.015 -6.136 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.049 5.238 -5.525 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.850 2.933 -5.236 1.00 0.00 C ATOM 0 H THR A 76 -3.051 4.992 -6.843 1.00 0.00 H new ATOM 0 HA THR A 76 -5.070 3.142 -8.049 1.00 0.00 H new ATOM 0 HB THR A 76 -6.522 3.842 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.111 5.173 -5.248 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.348 2.948 -4.267 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.987 1.956 -5.700 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.785 3.123 -5.099 1.00 0.00 H new ATOM 447 N GLY A 77 -5.355 6.386 -7.795 1.00 0.00 N ATOM 448 CA GLY A 77 -5.851 7.559 -8.494 1.00 0.00 C ATOM 449 C GLY A 77 -7.075 8.142 -7.785 1.00 0.00 C ATOM 450 O GLY A 77 -7.863 8.865 -8.392 1.00 0.00 O ATOM 0 H GLY A 77 -5.060 6.555 -6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.065 8.313 -8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.112 7.293 -9.518 1.00 0.00 H new ATOM 454 N LEU A 78 -7.194 7.808 -6.507 1.00 0.00 N ATOM 455 CA LEU A 78 -8.292 8.316 -5.701 1.00 0.00 C ATOM 456 C LEU A 78 -8.083 9.809 -5.448 1.00 0.00 C ATOM 457 O LEU A 78 -6.955 10.299 -5.483 1.00 0.00 O ATOM 458 CB LEU A 78 -8.441 7.491 -4.422 1.00 0.00 C ATOM 459 CG LEU A 78 -8.834 6.024 -4.611 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.390 5.179 -3.415 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.334 5.889 -4.882 1.00 0.00 C ATOM 0 H LEU A 78 -6.549 7.193 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.237 8.212 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.497 7.526 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.190 7.969 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.312 5.641 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.681 4.141 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.307 5.240 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.865 5.554 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.587 4.837 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.894 6.295 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.591 6.439 -5.787 1.00 0.00 H new ATOM 473 N GLY A 79 -9.192 10.494 -5.201 1.00 0.00 N ATOM 474 CA GLY A 79 -9.144 11.921 -4.928 1.00 0.00 C ATOM 475 C GLY A 79 -8.182 12.227 -3.777 1.00 0.00 C ATOM 476 O GLY A 79 -8.048 11.432 -2.848 1.00 0.00 O ATOM 0 H GLY A 79 -10.127 10.087 -5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.827 12.456 -5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.142 12.281 -4.678 1.00 0.00 H new ATOM 480 N LEU A 80 -7.540 13.380 -3.877 1.00 0.00 N ATOM 481 CA LEU A 80 -6.611 13.810 -2.846 1.00 0.00 C ATOM 482 C LEU A 80 -7.195 13.489 -1.471 1.00 0.00 C ATOM 483 O LEU A 80 -6.518 12.906 -0.624 1.00 0.00 O ATOM 484 CB LEU A 80 -6.250 15.286 -3.032 1.00 0.00 C ATOM 485 CG LEU A 80 -4.901 15.724 -2.458 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.310 16.880 -3.268 1.00 0.00 C ATOM 487 CD2 LEU A 80 -5.023 16.071 -0.972 1.00 0.00 C ATOM 0 H LEU A 80 -7.644 14.030 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.672 13.263 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.259 15.510 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.032 15.891 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.208 14.886 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.351 17.172 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.164 16.563 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.993 17.729 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.050 16.379 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.737 16.885 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.369 15.196 -0.421 1.00 0.00 H new ATOM 499 N LYS A 81 -8.448 13.880 -1.289 1.00 0.00 N ATOM 500 CA LYS A 81 -9.129 13.649 -0.026 1.00 0.00 C ATOM 501 C LYS A 81 -9.157 12.148 0.265 1.00 0.00 C ATOM 502 O LYS A 81 -8.568 11.690 1.243 1.00 0.00 O ATOM 503 CB LYS A 81 -10.514 14.300 -0.038 1.00 0.00 C ATOM 504 CG LYS A 81 -11.260 14.023 1.269 1.00 0.00 C ATOM 505 CD LYS A 81 -12.293 15.116 1.553 1.00 0.00 C ATOM 506 CE LYS A 81 -13.027 14.848 2.867 1.00 0.00 C ATOM 507 NZ LYS A 81 -13.998 13.743 2.702 1.00 0.00 N ATOM 0 H LYS A 81 -9.010 14.355 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.587 14.123 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.413 15.376 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.092 13.918 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.757 13.055 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.549 13.967 2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.798 16.086 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.011 15.164 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.309 14.595 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.545 15.750 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.536 13.619 3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.653 13.969 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.489 12.864 2.480 1.00 0.00 H new ATOM 521 N GLU A 82 -9.848 11.421 -0.601 1.00 0.00 N ATOM 522 CA GLU A 82 -9.982 9.984 -0.435 1.00 0.00 C ATOM 523 C GLU A 82 -8.655 9.378 0.026 1.00 0.00 C ATOM 524 O GLU A 82 -8.624 8.579 0.960 1.00 0.00 O ATOM 525 CB GLU A 82 -10.467 9.326 -1.728 1.00 0.00 C ATOM 526 CG GLU A 82 -11.946 9.627 -1.976 1.00 0.00 C ATOM 527 CD GLU A 82 -12.373 9.169 -3.371 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.069 9.910 -4.330 1.00 0.00 O ATOM 529 OE2 GLU A 82 -12.993 8.085 -3.447 1.00 0.00 O ATOM 0 H GLU A 82 -10.321 11.801 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.732 9.794 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.873 9.686 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.316 8.248 -1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.554 9.125 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.126 10.697 -1.870 1.00 0.00 H new ATOM 536 N ALA A 83 -7.590 9.780 -0.653 1.00 0.00 N ATOM 537 CA ALA A 83 -6.270 9.249 -0.357 1.00 0.00 C ATOM 538 C ALA A 83 -5.893 9.604 1.084 1.00 0.00 C ATOM 539 O ALA A 83 -5.418 8.753 1.832 1.00 0.00 O ATOM 540 CB ALA A 83 -5.263 9.789 -1.374 1.00 0.00 C ATOM 0 H ALA A 83 -7.614 10.467 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.266 8.162 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.273 9.391 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.560 9.484 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.237 10.877 -1.318 1.00 0.00 H new ATOM 546 N LYS A 84 -6.118 10.864 1.426 1.00 0.00 N ATOM 547 CA LYS A 84 -5.799 11.346 2.759 1.00 0.00 C ATOM 548 C LYS A 84 -6.516 10.477 3.795 1.00 0.00 C ATOM 549 O LYS A 84 -5.882 9.919 4.690 1.00 0.00 O ATOM 550 CB LYS A 84 -6.118 12.837 2.881 1.00 0.00 C ATOM 551 CG LYS A 84 -5.718 13.374 4.256 1.00 0.00 C ATOM 552 CD LYS A 84 -6.819 14.260 4.841 1.00 0.00 C ATOM 553 CE LYS A 84 -8.004 13.420 5.320 1.00 0.00 C ATOM 554 NZ LYS A 84 -8.957 14.256 6.083 1.00 0.00 N ATOM 0 H LYS A 84 -6.517 11.566 0.803 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.730 11.256 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.591 13.390 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.184 12.999 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.519 12.542 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.793 13.945 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.420 14.840 5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.155 14.973 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.509 12.971 4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.648 12.601 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.755 13.670 6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.476 14.664 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.310 15.022 5.475 1.00 0.00 H new ATOM 568 N ASP A 85 -7.830 10.391 3.641 1.00 0.00 N ATOM 569 CA ASP A 85 -8.644 9.627 4.571 1.00 0.00 C ATOM 570 C ASP A 85 -8.117 8.192 4.643 1.00 0.00 C ATOM 571 O ASP A 85 -7.937 7.648 5.732 1.00 0.00 O ATOM 572 CB ASP A 85 -10.102 9.572 4.110 1.00 0.00 C ATOM 573 CG ASP A 85 -10.819 10.923 4.074 1.00 0.00 C ATOM 574 OD1 ASP A 85 -11.228 11.378 5.163 1.00 0.00 O ATOM 575 OD2 ASP A 85 -10.943 11.469 2.956 1.00 0.00 O ATOM 0 H ASP A 85 -8.350 10.838 2.886 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.591 10.114 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.136 9.133 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.652 8.903 4.772 1.00 0.00 H new ATOM 580 N LEU A 86 -7.883 7.622 3.473 1.00 0.00 N ATOM 581 CA LEU A 86 -7.393 6.256 3.390 1.00 0.00 C ATOM 582 C LEU A 86 -6.222 6.080 4.358 1.00 0.00 C ATOM 583 O LEU A 86 -6.288 5.261 5.274 1.00 0.00 O ATOM 584 CB LEU A 86 -7.053 5.895 1.941 1.00 0.00 C ATOM 585 CG LEU A 86 -6.672 4.436 1.686 1.00 0.00 C ATOM 586 CD1 LEU A 86 -5.299 4.116 2.279 1.00 0.00 C ATOM 587 CD2 LEU A 86 -7.755 3.488 2.204 1.00 0.00 C ATOM 0 H LEU A 86 -8.023 8.080 2.573 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.169 5.554 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.911 6.141 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.228 6.528 1.614 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.600 4.285 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.053 3.072 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.546 4.758 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.318 4.289 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.459 2.457 2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.883 3.633 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.696 3.697 1.695 1.00 0.00 H new ATOM 599 N VAL A 87 -5.179 6.861 4.122 1.00 0.00 N ATOM 600 CA VAL A 87 -3.964 6.748 4.914 1.00 0.00 C ATOM 601 C VAL A 87 -4.297 6.992 6.388 1.00 0.00 C ATOM 602 O VAL A 87 -3.762 6.319 7.267 1.00 0.00 O ATOM 603 CB VAL A 87 -2.897 7.702 4.375 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.705 7.787 5.330 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.447 7.285 2.973 1.00 0.00 C ATOM 0 H VAL A 87 -5.149 7.575 3.394 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.549 5.743 4.837 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.341 8.695 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.961 8.472 4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.042 8.152 6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.262 6.798 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.688 7.980 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.030 6.279 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.302 7.299 2.297 1.00 0.00 H new ATOM 615 N GLU A 88 -5.177 7.955 6.610 1.00 0.00 N ATOM 616 CA GLU A 88 -5.531 8.349 7.964 1.00 0.00 C ATOM 617 C GLU A 88 -6.341 7.243 8.643 1.00 0.00 C ATOM 618 O GLU A 88 -6.478 7.230 9.865 1.00 0.00 O ATOM 619 CB GLU A 88 -6.297 9.672 7.968 1.00 0.00 C ATOM 620 CG GLU A 88 -5.370 10.843 7.634 1.00 0.00 C ATOM 621 CD GLU A 88 -4.482 11.198 8.828 1.00 0.00 C ATOM 622 OE1 GLU A 88 -5.000 11.880 9.738 1.00 0.00 O ATOM 623 OE2 GLU A 88 -3.305 10.777 8.804 1.00 0.00 O ATOM 0 H GLU A 88 -5.657 8.475 5.875 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.612 8.499 8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.109 9.628 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.751 9.830 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.747 10.585 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.964 11.711 7.347 1.00 0.00 H new ATOM 630 N SER A 89 -6.860 6.344 7.820 1.00 0.00 N ATOM 631 CA SER A 89 -7.701 5.268 8.320 1.00 0.00 C ATOM 632 C SER A 89 -6.889 3.976 8.430 1.00 0.00 C ATOM 633 O SER A 89 -7.448 2.882 8.381 1.00 0.00 O ATOM 634 CB SER A 89 -8.918 5.056 7.417 1.00 0.00 C ATOM 635 OG SER A 89 -9.735 6.220 7.339 1.00 0.00 O ATOM 0 H SER A 89 -6.715 6.338 6.810 1.00 0.00 H new ATOM 0 HA SER A 89 -8.061 5.547 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.583 4.780 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.510 4.223 7.796 1.00 0.00 H new ATOM 0 HG SER A 89 -9.285 6.900 6.795 1.00 0.00 H new ATOM 641 N ALA A 90 -5.583 4.146 8.575 1.00 0.00 N ATOM 642 CA ALA A 90 -4.692 3.008 8.721 1.00 0.00 C ATOM 643 C ALA A 90 -5.091 2.211 9.965 1.00 0.00 C ATOM 644 O ALA A 90 -5.523 2.785 10.962 1.00 0.00 O ATOM 645 CB ALA A 90 -3.243 3.498 8.781 1.00 0.00 C ATOM 0 H ALA A 90 -5.121 5.055 8.594 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.775 2.342 7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.574 2.644 8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.001 4.033 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.120 4.167 9.633 1.00 0.00 H new ATOM 651 N PRO A 91 -4.926 0.865 9.861 1.00 0.00 N ATOM 652 CA PRO A 91 -4.408 0.265 8.643 1.00 0.00 C ATOM 653 C PRO A 91 -5.471 0.254 7.543 1.00 0.00 C ATOM 654 O PRO A 91 -6.665 0.309 7.829 1.00 0.00 O ATOM 655 CB PRO A 91 -3.961 -1.129 9.050 1.00 0.00 C ATOM 656 CG PRO A 91 -4.667 -1.426 10.364 1.00 0.00 C ATOM 657 CD PRO A 91 -5.227 -0.118 10.897 1.00 0.00 C ATOM 0 HA PRO A 91 -3.576 0.827 8.218 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.227 -1.862 8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.878 -1.173 9.170 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.467 -2.150 10.212 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.972 -1.864 11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.300 -0.190 11.074 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.764 0.153 11.846 1.00 0.00 H new ATOM 665 N ALA A 92 -4.998 0.182 6.308 1.00 0.00 N ATOM 666 CA ALA A 92 -5.888 0.215 5.161 1.00 0.00 C ATOM 667 C ALA A 92 -5.368 -0.743 4.088 1.00 0.00 C ATOM 668 O ALA A 92 -4.201 -1.134 4.112 1.00 0.00 O ATOM 669 CB ALA A 92 -6.012 1.652 4.650 1.00 0.00 C ATOM 0 H ALA A 92 -4.008 0.101 6.077 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.887 -0.117 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.680 1.676 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.415 2.286 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.029 2.020 4.356 1.00 0.00 H new ATOM 675 N ALA A 93 -6.257 -1.094 3.171 1.00 0.00 N ATOM 676 CA ALA A 93 -5.892 -1.968 2.069 1.00 0.00 C ATOM 677 C ALA A 93 -5.524 -1.120 0.850 1.00 0.00 C ATOM 678 O ALA A 93 -6.361 -0.390 0.321 1.00 0.00 O ATOM 679 CB ALA A 93 -7.042 -2.935 1.780 1.00 0.00 C ATOM 0 H ALA A 93 -7.230 -0.789 3.168 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.020 -2.567 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.767 -3.590 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.244 -3.535 2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.935 -2.369 1.513 1.00 0.00 H new ATOM 685 N LEU A 94 -4.270 -1.242 0.440 1.00 0.00 N ATOM 686 CA LEU A 94 -3.791 -0.530 -0.732 1.00 0.00 C ATOM 687 C LEU A 94 -4.159 -1.319 -1.989 1.00 0.00 C ATOM 688 O LEU A 94 -4.644 -0.749 -2.965 1.00 0.00 O ATOM 689 CB LEU A 94 -2.296 -0.233 -0.607 1.00 0.00 C ATOM 690 CG LEU A 94 -1.908 0.844 0.408 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.400 1.097 0.391 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.708 2.128 0.177 1.00 0.00 C ATOM 0 H LEU A 94 -3.570 -1.824 0.900 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.278 0.442 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.783 -1.157 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.922 0.067 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.161 0.481 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.152 1.867 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.126 0.176 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.098 1.429 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.413 2.877 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.509 2.505 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.772 1.917 0.281 1.00 0.00 H new ATOM 704 N LYS A 95 -3.913 -2.620 -1.926 1.00 0.00 N ATOM 705 CA LYS A 95 -4.200 -3.492 -3.051 1.00 0.00 C ATOM 706 C LYS A 95 -4.667 -4.854 -2.530 1.00 0.00 C ATOM 707 O LYS A 95 -4.254 -5.284 -1.454 1.00 0.00 O ATOM 708 CB LYS A 95 -2.994 -3.574 -3.988 1.00 0.00 C ATOM 709 CG LYS A 95 -2.128 -2.319 -3.877 1.00 0.00 C ATOM 710 CD LYS A 95 -0.872 -2.439 -4.743 1.00 0.00 C ATOM 711 CE LYS A 95 -1.234 -2.470 -6.230 1.00 0.00 C ATOM 712 NZ LYS A 95 -0.034 -2.227 -7.060 1.00 0.00 N ATOM 0 H LYS A 95 -3.518 -3.091 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.013 -3.083 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.399 -4.454 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.335 -3.695 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.705 -1.447 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.843 -2.161 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.207 -1.599 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.328 -3.346 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.670 -3.436 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.990 -1.714 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.297 -2.251 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.365 -1.295 -6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.675 -2.964 -6.870 1.00 0.00 H new ATOM 726 N GLU A 96 -5.520 -5.492 -3.316 1.00 0.00 N ATOM 727 CA GLU A 96 -6.060 -6.788 -2.939 1.00 0.00 C ATOM 728 C GLU A 96 -5.755 -7.825 -4.021 1.00 0.00 C ATOM 729 O GLU A 96 -6.014 -7.592 -5.201 1.00 0.00 O ATOM 730 CB GLU A 96 -7.563 -6.699 -2.673 1.00 0.00 C ATOM 731 CG GLU A 96 -7.860 -5.741 -1.517 1.00 0.00 C ATOM 732 CD GLU A 96 -9.349 -5.752 -1.165 1.00 0.00 C ATOM 733 OE1 GLU A 96 -9.772 -6.732 -0.517 1.00 0.00 O ATOM 734 OE2 GLU A 96 -10.030 -4.776 -1.552 1.00 0.00 O ATOM 0 H GLU A 96 -5.851 -5.136 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.579 -7.105 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.076 -6.359 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.954 -7.689 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.274 -6.027 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.554 -4.731 -1.789 1.00 0.00 H new ATOM 741 N GLY A 97 -5.209 -8.950 -3.582 1.00 0.00 N ATOM 742 CA GLY A 97 -4.874 -10.026 -4.498 1.00 0.00 C ATOM 743 C GLY A 97 -4.287 -9.477 -5.800 1.00 0.00 C ATOM 744 O GLY A 97 -4.974 -9.415 -6.817 1.00 0.00 O ATOM 0 H GLY A 97 -4.990 -9.139 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.157 -10.699 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.766 -10.613 -4.716 1.00 0.00 H new ATOM 748 N VAL A 98 -3.021 -9.091 -5.725 1.00 0.00 N ATOM 749 CA VAL A 98 -2.326 -8.571 -6.889 1.00 0.00 C ATOM 750 C VAL A 98 -1.076 -9.415 -7.151 1.00 0.00 C ATOM 751 O VAL A 98 -0.665 -10.201 -6.300 1.00 0.00 O ATOM 752 CB VAL A 98 -2.016 -7.087 -6.694 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.303 -6.270 -6.563 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.105 -6.871 -5.483 1.00 0.00 C ATOM 0 H VAL A 98 -2.459 -9.128 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.958 -8.643 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.485 -6.737 -7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.054 -5.218 -6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.901 -6.386 -7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.872 -6.623 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.900 -5.807 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.598 -7.246 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.168 -7.407 -5.633 1.00 0.00 H new ATOM 764 N SER A 99 -0.507 -9.222 -8.332 1.00 0.00 N ATOM 765 CA SER A 99 0.682 -9.960 -8.720 1.00 0.00 C ATOM 766 C SER A 99 1.813 -9.691 -7.726 1.00 0.00 C ATOM 767 O SER A 99 1.976 -8.566 -7.257 1.00 0.00 O ATOM 768 CB SER A 99 1.122 -9.591 -10.138 1.00 0.00 C ATOM 769 OG SER A 99 1.390 -8.198 -10.268 1.00 0.00 O ATOM 0 H SER A 99 -0.848 -8.564 -9.033 1.00 0.00 H new ATOM 0 HA SER A 99 0.443 -11.023 -8.709 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.015 -10.158 -10.399 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.344 -9.878 -10.845 1.00 0.00 H new ATOM 0 HG SER A 99 1.670 -8.003 -11.187 1.00 0.00 H new ATOM 775 N LYS A 100 2.563 -10.743 -7.434 1.00 0.00 N ATOM 776 CA LYS A 100 3.669 -10.635 -6.496 1.00 0.00 C ATOM 777 C LYS A 100 4.564 -9.463 -6.902 1.00 0.00 C ATOM 778 O LYS A 100 4.952 -8.654 -6.059 1.00 0.00 O ATOM 779 CB LYS A 100 4.412 -11.969 -6.392 1.00 0.00 C ATOM 780 CG LYS A 100 5.560 -11.878 -5.382 1.00 0.00 C ATOM 781 CD LYS A 100 6.914 -12.029 -6.079 1.00 0.00 C ATOM 782 CE LYS A 100 8.055 -12.054 -5.060 1.00 0.00 C ATOM 783 NZ LYS A 100 8.341 -10.687 -4.569 1.00 0.00 N ATOM 0 H LYS A 100 2.428 -11.673 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 100 3.300 -10.421 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.718 -12.754 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.804 -12.249 -7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.518 -10.920 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.447 -12.655 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.925 -12.948 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.062 -11.204 -6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.789 -12.699 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.949 -12.477 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.331 -10.631 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.183 -10.002 -5.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.711 -10.466 -3.772 1.00 0.00 H new ATOM 797 N ASP A 101 4.866 -9.407 -8.189 1.00 0.00 N ATOM 798 CA ASP A 101 5.768 -8.391 -8.704 1.00 0.00 C ATOM 799 C ASP A 101 5.246 -7.007 -8.314 1.00 0.00 C ATOM 800 O ASP A 101 6.020 -6.136 -7.917 1.00 0.00 O ATOM 801 CB ASP A 101 5.854 -8.452 -10.229 1.00 0.00 C ATOM 802 CG ASP A 101 6.464 -9.737 -10.793 1.00 0.00 C ATOM 803 OD1 ASP A 101 5.716 -10.736 -10.865 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.665 -9.692 -11.138 1.00 0.00 O ATOM 0 H ASP A 101 4.502 -10.050 -8.893 1.00 0.00 H new ATOM 0 HA ASP A 101 6.756 -8.572 -8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.851 -8.334 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.443 -7.604 -10.579 1.00 0.00 H new ATOM 809 N ASP A 102 3.937 -6.845 -8.441 1.00 0.00 N ATOM 810 CA ASP A 102 3.308 -5.567 -8.153 1.00 0.00 C ATOM 811 C ASP A 102 3.367 -5.301 -6.647 1.00 0.00 C ATOM 812 O ASP A 102 3.537 -4.161 -6.222 1.00 0.00 O ATOM 813 CB ASP A 102 1.838 -5.570 -8.576 1.00 0.00 C ATOM 814 CG ASP A 102 1.590 -5.294 -10.061 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.512 -5.585 -10.853 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.486 -4.797 -10.370 1.00 0.00 O ATOM 0 H ASP A 102 3.294 -7.578 -8.740 1.00 0.00 H new ATOM 0 HA ASP A 102 3.842 -4.796 -8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.406 -6.539 -8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.305 -4.822 -7.989 1.00 0.00 H new ATOM 821 N ALA A 103 3.224 -6.375 -5.885 1.00 0.00 N ATOM 822 CA ALA A 103 3.242 -6.270 -4.435 1.00 0.00 C ATOM 823 C ALA A 103 4.611 -5.762 -3.980 1.00 0.00 C ATOM 824 O ALA A 103 4.699 -4.817 -3.199 1.00 0.00 O ATOM 825 CB ALA A 103 2.889 -7.626 -3.820 1.00 0.00 C ATOM 0 H ALA A 103 3.095 -7.321 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 103 2.495 -5.553 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.903 -7.547 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.895 -7.927 -4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.618 -8.371 -4.139 1.00 0.00 H new ATOM 831 N GLU A 104 5.648 -6.412 -4.491 1.00 0.00 N ATOM 832 CA GLU A 104 7.007 -6.072 -4.107 1.00 0.00 C ATOM 833 C GLU A 104 7.378 -4.688 -4.643 1.00 0.00 C ATOM 834 O GLU A 104 8.234 -4.009 -4.079 1.00 0.00 O ATOM 835 CB GLU A 104 7.995 -7.132 -4.598 1.00 0.00 C ATOM 836 CG GLU A 104 9.228 -7.192 -3.692 1.00 0.00 C ATOM 837 CD GLU A 104 10.286 -8.134 -4.269 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.870 -7.762 -5.310 1.00 0.00 O ATOM 839 OE2 GLU A 104 10.489 -9.203 -3.654 1.00 0.00 O ATOM 0 H GLU A 104 5.573 -7.172 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 104 7.062 -6.046 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.507 -8.107 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.300 -6.905 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.649 -6.193 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.937 -7.531 -2.698 1.00 0.00 H new ATOM 846 N ALA A 105 6.713 -4.308 -5.725 1.00 0.00 N ATOM 847 CA ALA A 105 6.971 -3.023 -6.351 1.00 0.00 C ATOM 848 C ALA A 105 6.468 -1.905 -5.434 1.00 0.00 C ATOM 849 O ALA A 105 7.203 -0.965 -5.136 1.00 0.00 O ATOM 850 CB ALA A 105 6.314 -2.985 -7.731 1.00 0.00 C ATOM 0 H ALA A 105 5.995 -4.869 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 105 8.041 -2.875 -6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.508 -2.020 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.726 -3.780 -8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.238 -3.127 -7.626 1.00 0.00 H new ATOM 856 N LEU A 106 5.220 -2.046 -5.013 1.00 0.00 N ATOM 857 CA LEU A 106 4.604 -1.049 -4.153 1.00 0.00 C ATOM 858 C LEU A 106 5.335 -1.017 -2.811 1.00 0.00 C ATOM 859 O LEU A 106 5.663 0.056 -2.303 1.00 0.00 O ATOM 860 CB LEU A 106 3.100 -1.305 -4.030 1.00 0.00 C ATOM 861 CG LEU A 106 2.328 -0.338 -3.128 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.663 -0.576 -1.654 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.572 1.114 -3.545 1.00 0.00 C ATOM 0 H LEU A 106 4.619 -2.835 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 106 4.700 -0.055 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.662 -1.269 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.953 -2.318 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 106 1.263 -0.533 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.101 0.124 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.396 -1.597 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.731 -0.425 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.012 1.780 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.636 1.340 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.242 1.257 -4.574 1.00 0.00 H new ATOM 875 N LYS A 107 5.570 -2.204 -2.271 1.00 0.00 N ATOM 876 CA LYS A 107 6.237 -2.324 -0.986 1.00 0.00 C ATOM 877 C LYS A 107 7.571 -1.576 -1.037 1.00 0.00 C ATOM 878 O LYS A 107 7.866 -0.768 -0.156 1.00 0.00 O ATOM 879 CB LYS A 107 6.374 -3.796 -0.589 1.00 0.00 C ATOM 880 CG LYS A 107 7.195 -3.944 0.694 1.00 0.00 C ATOM 881 CD LYS A 107 7.038 -5.346 1.286 1.00 0.00 C ATOM 882 CE LYS A 107 8.097 -5.608 2.359 1.00 0.00 C ATOM 883 NZ LYS A 107 7.871 -4.737 3.534 1.00 0.00 N ATOM 0 H LYS A 107 5.310 -3.092 -2.701 1.00 0.00 H new ATOM 0 HA LYS A 107 5.639 -1.859 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.385 -4.231 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.851 -4.351 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.246 -3.751 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.875 -3.199 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.043 -5.453 1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.124 -6.091 0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.064 -6.654 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.091 -5.426 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.651 -4.054 3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.973 -4.225 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.829 -5.319 4.395 1.00 0.00 H new ATOM 897 N LYS A 108 8.339 -1.868 -2.076 1.00 0.00 N ATOM 898 CA LYS A 108 9.648 -1.257 -2.235 1.00 0.00 C ATOM 899 C LYS A 108 9.509 0.264 -2.149 1.00 0.00 C ATOM 900 O LYS A 108 10.346 0.933 -1.547 1.00 0.00 O ATOM 901 CB LYS A 108 10.313 -1.744 -3.523 1.00 0.00 C ATOM 902 CG LYS A 108 10.987 -3.101 -3.314 1.00 0.00 C ATOM 903 CD LYS A 108 12.504 -2.945 -3.184 1.00 0.00 C ATOM 904 CE LYS A 108 12.870 -2.210 -1.893 1.00 0.00 C ATOM 905 NZ LYS A 108 14.339 -2.196 -1.704 1.00 0.00 N ATOM 0 H LYS A 108 8.080 -2.520 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 108 10.313 -1.562 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.567 -1.823 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.052 -1.014 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.588 -3.575 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.756 -3.759 -4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.977 -3.927 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.892 -2.396 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.492 -1.188 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.392 -2.696 -1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.571 -1.694 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.691 -3.173 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.788 -1.712 -2.507 1.00 0.00 H new ATOM 919 N ALA A 109 8.447 0.765 -2.762 1.00 0.00 N ATOM 920 CA ALA A 109 8.220 2.199 -2.817 1.00 0.00 C ATOM 921 C ALA A 109 7.972 2.725 -1.400 1.00 0.00 C ATOM 922 O ALA A 109 8.489 3.776 -1.026 1.00 0.00 O ATOM 923 CB ALA A 109 7.055 2.497 -3.762 1.00 0.00 C ATOM 0 H ALA A 109 7.733 0.203 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 109 9.097 2.712 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.885 3.573 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.293 2.129 -4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.155 2.001 -3.398 1.00 0.00 H new ATOM 929 N LEU A 110 7.178 1.971 -0.654 1.00 0.00 N ATOM 930 CA LEU A 110 6.863 2.344 0.715 1.00 0.00 C ATOM 931 C LEU A 110 8.148 2.364 1.542 1.00 0.00 C ATOM 932 O LEU A 110 8.376 3.289 2.320 1.00 0.00 O ATOM 933 CB LEU A 110 5.779 1.426 1.283 1.00 0.00 C ATOM 934 CG LEU A 110 4.334 1.818 0.968 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.763 2.726 2.059 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.228 2.453 -0.419 1.00 0.00 C ATOM 0 H LEU A 110 6.744 1.104 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 110 6.447 3.351 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.951 0.418 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.896 1.386 2.366 1.00 0.00 H new ATOM 0 HG LEU A 110 3.729 0.911 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.735 2.990 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.783 2.203 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.364 3.633 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.191 2.722 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.849 3.348 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.569 1.742 -1.172 1.00 0.00 H new ATOM 948 N GLU A 111 8.956 1.331 1.348 1.00 0.00 N ATOM 949 CA GLU A 111 10.184 1.187 2.112 1.00 0.00 C ATOM 950 C GLU A 111 11.171 2.296 1.745 1.00 0.00 C ATOM 951 O GLU A 111 11.873 2.819 2.610 1.00 0.00 O ATOM 952 CB GLU A 111 10.804 -0.195 1.896 1.00 0.00 C ATOM 953 CG GLU A 111 9.805 -1.304 2.228 1.00 0.00 C ATOM 954 CD GLU A 111 10.406 -2.308 3.211 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.553 -2.736 2.956 1.00 0.00 O ATOM 956 OE2 GLU A 111 9.707 -2.627 4.197 1.00 0.00 O ATOM 0 H GLU A 111 8.784 0.586 0.673 1.00 0.00 H new ATOM 0 HA GLU A 111 9.944 1.279 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.130 -0.293 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.691 -0.301 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.902 -0.868 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.510 -1.818 1.313 1.00 0.00 H new ATOM 963 N GLU A 112 11.196 2.621 0.461 1.00 0.00 N ATOM 964 CA GLU A 112 12.086 3.659 -0.031 1.00 0.00 C ATOM 965 C GLU A 112 11.830 4.973 0.710 1.00 0.00 C ATOM 966 O GLU A 112 12.768 5.706 1.023 1.00 0.00 O ATOM 967 CB GLU A 112 11.930 3.843 -1.543 1.00 0.00 C ATOM 968 CG GLU A 112 12.834 2.875 -2.309 1.00 0.00 C ATOM 969 CD GLU A 112 12.797 3.162 -3.811 1.00 0.00 C ATOM 970 OE1 GLU A 112 11.676 3.377 -4.320 1.00 0.00 O ATOM 971 OE2 GLU A 112 13.891 3.159 -4.416 1.00 0.00 O ATOM 0 H GLU A 112 10.614 2.184 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 112 13.114 3.351 0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.891 3.678 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.176 4.869 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.857 2.961 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.515 1.849 -2.123 1.00 0.00 H new ATOM 978 N ALA A 113 10.557 5.232 0.969 1.00 0.00 N ATOM 979 CA ALA A 113 10.165 6.461 1.637 1.00 0.00 C ATOM 980 C ALA A 113 10.346 6.297 3.147 1.00 0.00 C ATOM 981 O ALA A 113 10.654 7.260 3.847 1.00 0.00 O ATOM 982 CB ALA A 113 8.723 6.810 1.257 1.00 0.00 C ATOM 0 H ALA A 113 9.784 4.612 0.728 1.00 0.00 H new ATOM 0 HA ALA A 113 10.797 7.290 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.428 7.732 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.654 6.945 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.060 6.002 1.565 1.00 0.00 H new ATOM 988 N GLY A 114 10.149 5.070 3.605 1.00 0.00 N ATOM 989 CA GLY A 114 10.291 4.766 5.018 1.00 0.00 C ATOM 990 C GLY A 114 8.924 4.580 5.680 1.00 0.00 C ATOM 991 O GLY A 114 8.585 5.292 6.623 1.00 0.00 O ATOM 0 H GLY A 114 9.892 4.274 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.885 3.860 5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.833 5.571 5.514 1.00 0.00 H new ATOM 995 N ALA A 115 8.175 3.619 5.158 1.00 0.00 N ATOM 996 CA ALA A 115 6.851 3.334 5.684 1.00 0.00 C ATOM 997 C ALA A 115 6.740 1.841 5.994 1.00 0.00 C ATOM 998 O ALA A 115 7.527 1.039 5.493 1.00 0.00 O ATOM 999 CB ALA A 115 5.792 3.801 4.682 1.00 0.00 C ATOM 0 H ALA A 115 8.460 3.028 4.377 1.00 0.00 H new ATOM 0 HA ALA A 115 6.683 3.877 6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.799 3.587 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.894 4.874 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.928 3.275 3.737 1.00 0.00 H new ATOM 1005 N GLU A 116 5.757 1.510 6.818 1.00 0.00 N ATOM 1006 CA GLU A 116 5.544 0.129 7.212 1.00 0.00 C ATOM 1007 C GLU A 116 4.437 -0.501 6.364 1.00 0.00 C ATOM 1008 O GLU A 116 3.297 -0.038 6.382 1.00 0.00 O ATOM 1009 CB GLU A 116 5.215 0.029 8.704 1.00 0.00 C ATOM 1010 CG GLU A 116 5.187 -1.430 9.162 1.00 0.00 C ATOM 1011 CD GLU A 116 6.566 -2.077 9.019 1.00 0.00 C ATOM 1012 OE1 GLU A 116 7.462 -1.680 9.793 1.00 0.00 O ATOM 1013 OE2 GLU A 116 6.692 -2.953 8.136 1.00 0.00 O ATOM 0 H GLU A 116 5.099 2.175 7.224 1.00 0.00 H new ATOM 0 HA GLU A 116 6.467 -0.424 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.957 0.581 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.249 0.494 8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.863 -1.482 10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.458 -1.986 8.573 1.00 0.00 H new ATOM 1020 N VAL A 117 4.810 -1.545 5.642 1.00 0.00 N ATOM 1021 CA VAL A 117 3.866 -2.237 4.781 1.00 0.00 C ATOM 1022 C VAL A 117 3.597 -3.633 5.344 1.00 0.00 C ATOM 1023 O VAL A 117 4.377 -4.143 6.146 1.00 0.00 O ATOM 1024 CB VAL A 117 4.390 -2.263 3.343 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.906 -3.512 2.606 1.00 0.00 C ATOM 1026 CG2 VAL A 117 3.990 -0.992 2.590 1.00 0.00 C ATOM 0 H VAL A 117 5.755 -1.930 5.635 1.00 0.00 H new ATOM 0 HA VAL A 117 2.914 -1.707 4.756 1.00 0.00 H new ATOM 0 HB VAL A 117 5.479 -2.299 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.292 -3.506 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 117 4.264 -4.402 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.816 -3.520 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.375 -1.036 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.903 -0.911 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.407 -0.122 3.098 1.00 0.00 H new ATOM 1036 N GLU A 118 2.491 -4.213 4.901 1.00 0.00 N ATOM 1037 CA GLU A 118 2.131 -5.557 5.320 1.00 0.00 C ATOM 1038 C GLU A 118 1.680 -6.385 4.114 1.00 0.00 C ATOM 1039 O GLU A 118 0.875 -5.925 3.307 1.00 0.00 O ATOM 1040 CB GLU A 118 1.047 -5.523 6.398 1.00 0.00 C ATOM 1041 CG GLU A 118 0.662 -6.938 6.833 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.686 -7.348 6.238 1.00 0.00 C ATOM 1043 OE1 GLU A 118 -1.712 -6.920 6.808 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -0.658 -8.081 5.225 1.00 0.00 O ATOM 0 H GLU A 118 1.832 -3.777 4.256 1.00 0.00 H new ATOM 0 HA GLU A 118 3.012 -6.031 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.403 -4.958 7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.167 -5.004 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.432 -7.642 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.613 -6.987 7.921 1.00 0.00 H new ATOM 1051 N VAL A 119 2.219 -7.593 4.031 1.00 0.00 N ATOM 1052 CA VAL A 119 1.906 -8.477 2.923 1.00 0.00 C ATOM 1053 C VAL A 119 1.036 -9.632 3.426 1.00 0.00 C ATOM 1054 O VAL A 119 1.427 -10.352 4.344 1.00 0.00 O ATOM 1055 CB VAL A 119 3.196 -8.950 2.250 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.891 -9.814 1.024 1.00 0.00 C ATOM 1057 CG2 VAL A 119 4.087 -7.765 1.877 1.00 0.00 C ATOM 0 H VAL A 119 2.871 -7.979 4.714 1.00 0.00 H new ATOM 0 HA VAL A 119 1.334 -7.946 2.162 1.00 0.00 H new ATOM 0 HB VAL A 119 3.740 -9.565 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.825 -10.137 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.316 -10.688 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.314 -9.233 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.997 -8.130 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.553 -7.111 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.347 -7.208 2.777 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.125 -9.770 2.805 1.00 0.00 N ATOM 1068 CA LYS A 120 -1.047 -10.833 3.168 1.00 0.00 C ATOM 1069 C LYS A 120 -1.199 -11.796 1.990 1.00 0.00 C ATOM 1070 O LYS A 120 -0.497 -11.672 0.988 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.372 -10.247 3.659 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.803 -10.895 4.977 1.00 0.00 C ATOM 1073 CD LYS A 120 -3.784 -9.997 5.734 1.00 0.00 C ATOM 1074 CE LYS A 120 -5.146 -9.961 5.034 1.00 0.00 C ATOM 1075 NZ LYS A 120 -5.926 -8.785 5.481 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.096 -12.710 2.146 1.00 0.00 O ATOM 0 H LYS A 120 -0.449 -9.163 2.052 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.652 -11.412 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.269 -9.170 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.144 -10.401 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -3.268 -11.860 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.927 -11.086 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -3.905 -10.362 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -3.380 -8.987 5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -5.006 -9.923 3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -5.698 -10.875 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.847 -8.775 4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -6.075 -8.838 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -5.405 -7.915 5.251 1.00 0.00 H new