USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=4 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 : amide:sc= 0.156 K(o=0.16,f=-4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -75:sc= 0.994! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 72:sc= 0.895 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -88:sc= 0.152 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -109:sc= 1.23 (180deg=-0.0872) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.636 -14.095 -5.802 1.00 0.00 N ATOM 88 CA GLU A 53 -2.503 -13.003 -5.392 1.00 0.00 C ATOM 89 C GLU A 53 -2.134 -12.534 -3.983 1.00 0.00 C ATOM 90 O GLU A 53 -2.515 -13.161 -2.996 1.00 0.00 O ATOM 91 CB GLU A 53 -3.974 -13.415 -5.465 1.00 0.00 C ATOM 92 CG GLU A 53 -4.522 -13.246 -6.882 1.00 0.00 C ATOM 93 CD GLU A 53 -5.903 -13.891 -7.019 1.00 0.00 C ATOM 94 OE1 GLU A 53 -5.937 -15.131 -7.172 1.00 0.00 O ATOM 95 OE2 GLU A 53 -6.893 -13.129 -6.968 1.00 0.00 O ATOM 0 HA GLU A 53 -2.358 -12.171 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.080 -14.454 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.559 -12.812 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.587 -12.186 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.834 -13.697 -7.597 1.00 0.00 H new ATOM 102 N PHE A 54 -1.400 -11.432 -3.935 1.00 0.00 N ATOM 103 CA PHE A 54 -0.973 -10.873 -2.664 1.00 0.00 C ATOM 104 C PHE A 54 -1.736 -9.584 -2.348 1.00 0.00 C ATOM 105 O PHE A 54 -2.092 -8.832 -3.254 1.00 0.00 O ATOM 106 CB PHE A 54 0.517 -10.550 -2.793 1.00 0.00 C ATOM 107 CG PHE A 54 1.415 -11.784 -2.885 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.509 -12.472 -4.054 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.120 -12.195 -1.795 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.344 -13.619 -4.139 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.954 -13.341 -1.880 1.00 0.00 C ATOM 112 CZ PHE A 54 3.048 -14.029 -3.049 1.00 0.00 C ATOM 0 H PHE A 54 -1.090 -10.911 -4.756 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.166 -11.585 -1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.670 -9.935 -3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.824 -9.953 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.949 -12.147 -4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.045 -11.649 -0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.420 -14.165 -5.068 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.514 -13.666 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.682 -14.901 -3.112 1.00 0.00 H new ATOM 122 N ASP A 55 -1.965 -9.370 -1.061 1.00 0.00 N ATOM 123 CA ASP A 55 -2.683 -8.188 -0.616 1.00 0.00 C ATOM 124 C ASP A 55 -1.706 -7.228 0.067 1.00 0.00 C ATOM 125 O ASP A 55 -0.948 -7.632 0.948 1.00 0.00 O ATOM 126 CB ASP A 55 -3.771 -8.553 0.397 1.00 0.00 C ATOM 127 CG ASP A 55 -4.682 -9.709 -0.022 1.00 0.00 C ATOM 128 OD1 ASP A 55 -5.407 -9.526 -1.024 1.00 0.00 O ATOM 129 OD2 ASP A 55 -4.634 -10.749 0.669 1.00 0.00 O ATOM 0 H ASP A 55 -1.666 -9.995 -0.312 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.142 -7.725 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.294 -8.810 1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.387 -7.672 0.579 1.00 0.00 H new ATOM 134 N VAL A 56 -1.755 -5.977 -0.367 1.00 0.00 N ATOM 135 CA VAL A 56 -0.878 -4.959 0.185 1.00 0.00 C ATOM 136 C VAL A 56 -1.679 -4.059 1.127 1.00 0.00 C ATOM 137 O VAL A 56 -2.530 -3.288 0.682 1.00 0.00 O ATOM 138 CB VAL A 56 -0.196 -4.185 -0.945 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.583 -2.988 -0.398 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.710 -5.102 -1.768 1.00 0.00 C ATOM 0 H VAL A 56 -2.388 -5.646 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.082 -5.418 0.772 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.973 -3.803 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.058 -2.456 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.100 -2.316 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.347 -3.338 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.183 -4.527 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.478 -5.528 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.116 -5.905 -2.204 1.00 0.00 H new ATOM 150 N ILE A 57 -1.382 -4.186 2.412 1.00 0.00 N ATOM 151 CA ILE A 57 -2.061 -3.390 3.420 1.00 0.00 C ATOM 152 C ILE A 57 -1.089 -2.355 3.989 1.00 0.00 C ATOM 153 O ILE A 57 0.114 -2.602 4.061 1.00 0.00 O ATOM 154 CB ILE A 57 -2.686 -4.294 4.485 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.706 -5.251 3.861 1.00 0.00 C ATOM 156 CG2 ILE A 57 -3.296 -3.469 5.617 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.190 -6.692 3.879 1.00 0.00 C ATOM 0 H ILE A 57 -0.680 -4.829 2.778 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.889 -2.839 2.974 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.895 -4.903 4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.647 -5.191 4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.913 -4.948 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.733 -4.137 6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.520 -2.864 6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.071 -2.817 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.934 -7.350 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.261 -6.753 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.007 -7.000 4.908 1.00 0.00 H new ATOM 169 N LEU A 58 -1.647 -1.216 4.376 1.00 0.00 N ATOM 170 CA LEU A 58 -0.846 -0.152 4.956 1.00 0.00 C ATOM 171 C LEU A 58 -1.121 -0.076 6.460 1.00 0.00 C ATOM 172 O LEU A 58 -2.258 0.133 6.877 1.00 0.00 O ATOM 173 CB LEU A 58 -1.093 1.166 4.219 1.00 0.00 C ATOM 174 CG LEU A 58 -0.369 2.392 4.779 1.00 0.00 C ATOM 175 CD1 LEU A 58 1.126 2.339 4.459 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.016 3.686 4.279 1.00 0.00 C ATOM 0 H LEU A 58 -2.643 -1.008 4.299 1.00 0.00 H new ATOM 0 HA LEU A 58 0.216 -0.364 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.798 1.038 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.164 1.367 4.224 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.467 2.381 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.617 3.222 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.561 1.443 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.266 2.314 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.483 4.542 4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.969 3.719 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.058 3.719 4.598 1.00 0.00 H new ATOM 188 N LYS A 59 -0.058 -0.250 7.233 1.00 0.00 N ATOM 189 CA LYS A 59 -0.180 -0.261 8.680 1.00 0.00 C ATOM 190 C LYS A 59 0.317 1.074 9.239 1.00 0.00 C ATOM 191 O LYS A 59 -0.338 1.678 10.088 1.00 0.00 O ATOM 192 CB LYS A 59 0.536 -1.478 9.268 1.00 0.00 C ATOM 193 CG LYS A 59 -0.359 -2.718 9.219 1.00 0.00 C ATOM 194 CD LYS A 59 0.284 -3.891 9.962 1.00 0.00 C ATOM 195 CE LYS A 59 -0.570 -5.153 9.839 1.00 0.00 C ATOM 196 NZ LYS A 59 -1.569 -5.211 10.929 1.00 0.00 N ATOM 0 H LYS A 59 0.891 -0.384 6.884 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.225 -0.361 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.455 -1.667 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.822 -1.273 10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.328 -2.489 9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.542 -2.997 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.279 -4.080 9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.410 -3.634 11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.076 -5.164 8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.068 -6.036 9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.141 -6.074 10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.081 -5.222 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.189 -4.378 10.876 1.00 0.00 H new ATOM 210 N ALA A 60 1.470 1.495 8.742 1.00 0.00 N ATOM 211 CA ALA A 60 2.062 2.747 9.182 1.00 0.00 C ATOM 212 C ALA A 60 2.522 3.546 7.961 1.00 0.00 C ATOM 213 O ALA A 60 3.120 2.990 7.040 1.00 0.00 O ATOM 214 CB ALA A 60 3.207 2.456 10.153 1.00 0.00 C ATOM 0 H ALA A 60 2.011 0.992 8.039 1.00 0.00 H new ATOM 0 HA ALA A 60 1.328 3.352 9.714 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.651 3.395 10.483 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.823 1.913 11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.964 1.853 9.652 1.00 0.00 H new ATOM 220 N ALA A 61 2.227 4.837 7.992 1.00 0.00 N ATOM 221 CA ALA A 61 2.622 5.722 6.909 1.00 0.00 C ATOM 222 C ALA A 61 4.064 6.182 7.135 1.00 0.00 C ATOM 223 O ALA A 61 4.798 6.423 6.179 1.00 0.00 O ATOM 224 CB ALA A 61 1.642 6.894 6.824 1.00 0.00 C ATOM 0 H ALA A 61 1.719 5.292 8.750 1.00 0.00 H new ATOM 0 HA ALA A 61 2.588 5.200 5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.938 7.558 6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.637 6.515 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.651 7.445 7.764 1.00 0.00 H new ATOM 230 N GLY A 62 4.426 6.291 8.404 1.00 0.00 N ATOM 231 CA GLY A 62 5.760 6.736 8.767 1.00 0.00 C ATOM 232 C GLY A 62 5.868 8.261 8.698 1.00 0.00 C ATOM 233 O GLY A 62 4.857 8.952 8.576 1.00 0.00 O ATOM 0 H GLY A 62 3.818 6.079 9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.999 6.396 9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.492 6.285 8.097 1.00 0.00 H new ATOM 237 N ALA A 63 7.100 8.739 8.778 1.00 0.00 N ATOM 238 CA ALA A 63 7.348 10.171 8.788 1.00 0.00 C ATOM 239 C ALA A 63 7.480 10.670 7.348 1.00 0.00 C ATOM 240 O ALA A 63 8.306 11.537 7.061 1.00 0.00 O ATOM 241 CB ALA A 63 8.593 10.468 9.625 1.00 0.00 C ATOM 0 H ALA A 63 7.938 8.161 8.837 1.00 0.00 H new ATOM 0 HA ALA A 63 6.514 10.702 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.779 11.542 9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.437 10.120 10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.452 9.954 9.194 1.00 0.00 H new ATOM 247 N ASN A 64 6.655 10.103 6.480 1.00 0.00 N ATOM 248 CA ASN A 64 6.677 10.474 5.074 1.00 0.00 C ATOM 249 C ASN A 64 5.292 10.238 4.469 1.00 0.00 C ATOM 250 O ASN A 64 5.153 9.501 3.495 1.00 0.00 O ATOM 251 CB ASN A 64 7.683 9.624 4.296 1.00 0.00 C ATOM 252 CG ASN A 64 8.146 10.346 3.030 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.473 11.210 2.496 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.333 9.944 2.581 1.00 0.00 N ATOM 0 H ASN A 64 5.967 9.390 6.722 1.00 0.00 H new ATOM 0 HA ASN A 64 6.963 11.524 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.543 9.402 4.928 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.229 8.670 4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.730 10.366 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.845 9.214 3.077 1.00 0.00 H new ATOM 261 N LYS A 65 4.300 10.880 5.072 1.00 0.00 N ATOM 262 CA LYS A 65 2.929 10.737 4.614 1.00 0.00 C ATOM 263 C LYS A 65 2.814 11.276 3.187 1.00 0.00 C ATOM 264 O LYS A 65 1.939 10.858 2.431 1.00 0.00 O ATOM 265 CB LYS A 65 1.963 11.397 5.600 1.00 0.00 C ATOM 266 CG LYS A 65 0.705 10.547 5.787 1.00 0.00 C ATOM 267 CD LYS A 65 -0.184 11.119 6.894 1.00 0.00 C ATOM 268 CE LYS A 65 -1.065 12.249 6.359 1.00 0.00 C ATOM 269 NZ LYS A 65 -1.840 12.868 7.458 1.00 0.00 N ATOM 0 H LYS A 65 4.420 11.500 5.873 1.00 0.00 H new ATOM 0 HA LYS A 65 2.646 9.685 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.458 11.537 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.687 12.387 5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.147 10.507 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.987 9.524 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.811 10.329 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.437 11.492 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.445 13.003 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.745 11.860 5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.433 13.633 7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.446 12.149 7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.186 13.257 8.167 1.00 0.00 H new ATOM 283 N VAL A 66 3.709 12.199 2.863 1.00 0.00 N ATOM 284 CA VAL A 66 3.703 12.817 1.549 1.00 0.00 C ATOM 285 C VAL A 66 3.967 11.748 0.486 1.00 0.00 C ATOM 286 O VAL A 66 3.223 11.636 -0.487 1.00 0.00 O ATOM 287 CB VAL A 66 4.714 13.965 1.506 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.874 14.503 0.082 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.316 15.082 2.473 1.00 0.00 C ATOM 0 H VAL A 66 4.442 12.533 3.488 1.00 0.00 H new ATOM 0 HA VAL A 66 2.727 13.253 1.337 1.00 0.00 H new ATOM 0 HB VAL A 66 5.680 13.573 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.598 15.318 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.225 13.704 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.913 14.871 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.051 15.885 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.335 15.470 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.278 14.688 3.488 1.00 0.00 H new ATOM 299 N ALA A 67 5.031 10.990 0.708 1.00 0.00 N ATOM 300 CA ALA A 67 5.419 9.951 -0.232 1.00 0.00 C ATOM 301 C ALA A 67 4.337 8.870 -0.266 1.00 0.00 C ATOM 302 O ALA A 67 3.993 8.364 -1.333 1.00 0.00 O ATOM 303 CB ALA A 67 6.788 9.394 0.159 1.00 0.00 C ATOM 0 H ALA A 67 5.636 11.074 1.525 1.00 0.00 H new ATOM 0 HA ALA A 67 5.509 10.359 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.079 8.615 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.526 10.196 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.736 8.974 1.163 1.00 0.00 H new ATOM 309 N VAL A 68 3.829 8.548 0.915 1.00 0.00 N ATOM 310 CA VAL A 68 2.811 7.519 1.036 1.00 0.00 C ATOM 311 C VAL A 68 1.619 7.881 0.149 1.00 0.00 C ATOM 312 O VAL A 68 1.268 7.131 -0.760 1.00 0.00 O ATOM 313 CB VAL A 68 2.428 7.333 2.506 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.233 6.389 2.646 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.621 6.834 3.324 1.00 0.00 C ATOM 0 H VAL A 68 4.104 8.982 1.796 1.00 0.00 H new ATOM 0 HA VAL A 68 3.194 6.559 0.690 1.00 0.00 H new ATOM 0 HB VAL A 68 2.134 8.305 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.982 6.274 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.378 6.803 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.487 5.416 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.322 6.710 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.959 5.877 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.433 7.559 3.263 1.00 0.00 H new ATOM 325 N ILE A 69 1.029 9.029 0.446 1.00 0.00 N ATOM 326 CA ILE A 69 -0.153 9.472 -0.276 1.00 0.00 C ATOM 327 C ILE A 69 0.094 9.344 -1.780 1.00 0.00 C ATOM 328 O ILE A 69 -0.811 8.994 -2.534 1.00 0.00 O ATOM 329 CB ILE A 69 -0.555 10.880 0.165 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.205 10.858 1.550 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.452 11.546 -0.880 1.00 0.00 C ATOM 332 CD1 ILE A 69 -1.126 12.233 2.215 1.00 0.00 C ATOM 0 H ILE A 69 1.347 9.666 1.176 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.005 8.835 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 69 0.349 11.484 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.248 10.552 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.708 10.118 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.724 12.546 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.917 11.616 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.355 10.951 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.595 12.189 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.081 12.525 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.645 12.966 1.598 1.00 0.00 H new ATOM 344 N LYS A 70 1.327 9.636 -2.170 1.00 0.00 N ATOM 345 CA LYS A 70 1.702 9.574 -3.573 1.00 0.00 C ATOM 346 C LYS A 70 1.636 8.122 -4.050 1.00 0.00 C ATOM 347 O LYS A 70 0.980 7.822 -5.047 1.00 0.00 O ATOM 348 CB LYS A 70 3.064 10.234 -3.794 1.00 0.00 C ATOM 349 CG LYS A 70 2.904 11.693 -4.222 1.00 0.00 C ATOM 350 CD LYS A 70 4.261 12.324 -4.540 1.00 0.00 C ATOM 351 CE LYS A 70 4.882 12.949 -3.288 1.00 0.00 C ATOM 352 NZ LYS A 70 6.191 13.561 -3.608 1.00 0.00 N ATOM 0 H LYS A 70 2.078 9.916 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 70 0.998 10.142 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.650 10.183 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.618 9.686 -4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.258 11.750 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.414 12.257 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.933 11.567 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.140 13.086 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.211 13.705 -2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.009 12.187 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.598 13.980 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.835 12.832 -3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.061 14.302 -4.326 1.00 0.00 H new ATOM 366 N ALA A 71 2.326 7.260 -3.318 1.00 0.00 N ATOM 367 CA ALA A 71 2.375 5.850 -3.667 1.00 0.00 C ATOM 368 C ALA A 71 0.948 5.309 -3.781 1.00 0.00 C ATOM 369 O ALA A 71 0.626 4.592 -4.727 1.00 0.00 O ATOM 370 CB ALA A 71 3.204 5.094 -2.628 1.00 0.00 C ATOM 0 H ALA A 71 2.856 7.511 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 71 2.860 5.710 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.240 4.037 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.216 5.497 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.747 5.208 -1.645 1.00 0.00 H new ATOM 376 N VAL A 72 0.132 5.672 -2.803 1.00 0.00 N ATOM 377 CA VAL A 72 -1.249 5.221 -2.773 1.00 0.00 C ATOM 378 C VAL A 72 -1.966 5.705 -4.036 1.00 0.00 C ATOM 379 O VAL A 72 -2.295 4.905 -4.912 1.00 0.00 O ATOM 380 CB VAL A 72 -1.926 5.690 -1.484 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.439 5.468 -1.547 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.320 4.996 -0.263 1.00 0.00 C ATOM 0 H VAL A 72 0.401 6.274 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.295 4.132 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.749 6.761 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.896 5.810 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.855 6.029 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.646 4.407 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.819 5.347 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.452 3.918 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.257 5.228 -0.203 1.00 0.00 H new ATOM 392 N ARG A 73 -2.190 7.010 -4.088 1.00 0.00 N ATOM 393 CA ARG A 73 -2.888 7.605 -5.214 1.00 0.00 C ATOM 394 C ARG A 73 -2.316 7.078 -6.533 1.00 0.00 C ATOM 395 O ARG A 73 -3.041 6.941 -7.516 1.00 0.00 O ATOM 396 CB ARG A 73 -2.774 9.130 -5.190 1.00 0.00 C ATOM 397 CG ARG A 73 -3.713 9.767 -6.215 1.00 0.00 C ATOM 398 CD ARG A 73 -3.818 11.278 -5.999 1.00 0.00 C ATOM 399 NE ARG A 73 -5.030 11.802 -6.666 1.00 0.00 N ATOM 400 CZ ARG A 73 -5.148 11.961 -7.992 1.00 0.00 C ATOM 401 NH1 ARG A 73 -4.101 11.718 -8.792 1.00 0.00 N ATOM 402 NH2 ARG A 73 -6.314 12.364 -8.517 1.00 0.00 N ATOM 0 H ARG A 73 -1.900 7.672 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.940 7.330 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.013 9.500 -4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.746 9.425 -5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.349 9.565 -7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.702 9.315 -6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.856 11.499 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.932 11.773 -6.396 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.825 12.058 -6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.214 11.412 -8.392 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.191 11.839 -9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.111 12.549 -7.908 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.404 12.485 -9.526 1.00 0.00 H new ATOM 416 N GLY A 74 -1.022 6.798 -6.509 1.00 0.00 N ATOM 417 CA GLY A 74 -0.332 6.342 -7.704 1.00 0.00 C ATOM 418 C GLY A 74 -0.749 4.916 -8.068 1.00 0.00 C ATOM 419 O GLY A 74 -0.831 4.570 -9.246 1.00 0.00 O ATOM 0 H GLY A 74 -0.432 6.878 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.554 7.013 -8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.745 6.380 -7.543 1.00 0.00 H new ATOM 423 N ALA A 75 -1.004 4.127 -7.035 1.00 0.00 N ATOM 424 CA ALA A 75 -1.355 2.729 -7.229 1.00 0.00 C ATOM 425 C ALA A 75 -2.862 2.613 -7.460 1.00 0.00 C ATOM 426 O ALA A 75 -3.333 1.626 -8.019 1.00 0.00 O ATOM 427 CB ALA A 75 -0.884 1.913 -6.024 1.00 0.00 C ATOM 0 H ALA A 75 -0.975 4.428 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.856 2.326 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.147 0.865 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.197 2.005 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.366 2.286 -5.121 1.00 0.00 H new ATOM 433 N THR A 76 -3.577 3.637 -7.016 1.00 0.00 N ATOM 434 CA THR A 76 -5.026 3.641 -7.125 1.00 0.00 C ATOM 435 C THR A 76 -5.488 4.777 -8.040 1.00 0.00 C ATOM 436 O THR A 76 -5.861 4.542 -9.189 1.00 0.00 O ATOM 437 CB THR A 76 -5.606 3.726 -5.712 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.128 4.972 -5.214 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.997 2.689 -4.766 1.00 0.00 C ATOM 0 H THR A 76 -3.180 4.469 -6.580 1.00 0.00 H new ATOM 0 HA THR A 76 -5.391 2.724 -7.587 1.00 0.00 H new ATOM 0 HB THR A 76 -6.686 3.589 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.180 4.888 -4.979 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.443 2.793 -3.777 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.193 1.688 -5.149 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.921 2.847 -4.697 1.00 0.00 H new ATOM 447 N GLY A 77 -5.449 5.985 -7.498 1.00 0.00 N ATOM 448 CA GLY A 77 -5.884 7.155 -8.243 1.00 0.00 C ATOM 449 C GLY A 77 -7.080 7.824 -7.565 1.00 0.00 C ATOM 450 O GLY A 77 -7.836 8.550 -8.208 1.00 0.00 O ATOM 0 H GLY A 77 -5.123 6.179 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.062 7.866 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.153 6.864 -9.259 1.00 0.00 H new ATOM 454 N LEU A 78 -7.216 7.554 -6.274 1.00 0.00 N ATOM 455 CA LEU A 78 -8.295 8.141 -5.497 1.00 0.00 C ATOM 456 C LEU A 78 -8.050 9.642 -5.345 1.00 0.00 C ATOM 457 O LEU A 78 -6.910 10.099 -5.408 1.00 0.00 O ATOM 458 CB LEU A 78 -8.456 7.405 -4.164 1.00 0.00 C ATOM 459 CG LEU A 78 -9.038 5.992 -4.245 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.576 5.141 -3.061 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.564 6.034 -4.360 1.00 0.00 C ATOM 0 H LEU A 78 -6.597 6.937 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.246 8.025 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.480 7.348 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.096 8.004 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.659 5.517 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.004 4.142 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.488 5.072 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.907 5.602 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.953 5.017 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.981 6.534 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.846 6.580 -5.260 1.00 0.00 H new ATOM 473 N GLY A 79 -9.140 10.370 -5.145 1.00 0.00 N ATOM 474 CA GLY A 79 -9.056 11.808 -4.959 1.00 0.00 C ATOM 475 C GLY A 79 -8.081 12.159 -3.832 1.00 0.00 C ATOM 476 O GLY A 79 -7.902 11.381 -2.896 1.00 0.00 O ATOM 0 H GLY A 79 -10.086 9.990 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.731 12.280 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.044 12.207 -4.728 1.00 0.00 H new ATOM 480 N LEU A 80 -7.477 13.331 -3.960 1.00 0.00 N ATOM 481 CA LEU A 80 -6.517 13.790 -2.970 1.00 0.00 C ATOM 482 C LEU A 80 -7.073 13.532 -1.568 1.00 0.00 C ATOM 483 O LEU A 80 -6.393 12.952 -0.724 1.00 0.00 O ATOM 484 CB LEU A 80 -6.144 15.251 -3.223 1.00 0.00 C ATOM 485 CG LEU A 80 -4.793 15.705 -2.665 1.00 0.00 C ATOM 486 CD1 LEU A 80 -3.640 15.185 -3.526 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.748 17.226 -2.505 1.00 0.00 C ATOM 0 H LEU A 80 -7.634 13.977 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.587 13.228 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.147 15.425 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.922 15.883 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.673 15.273 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.692 15.522 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.662 14.095 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.744 15.566 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.777 17.521 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.901 17.699 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.533 17.543 -1.819 1.00 0.00 H new ATOM 499 N LYS A 81 -8.305 13.974 -1.365 1.00 0.00 N ATOM 500 CA LYS A 81 -8.956 13.811 -0.076 1.00 0.00 C ATOM 501 C LYS A 81 -9.045 12.320 0.259 1.00 0.00 C ATOM 502 O LYS A 81 -8.462 11.865 1.242 1.00 0.00 O ATOM 503 CB LYS A 81 -10.308 14.526 -0.063 1.00 0.00 C ATOM 504 CG LYS A 81 -10.981 14.405 1.307 1.00 0.00 C ATOM 505 CD LYS A 81 -10.405 15.425 2.290 1.00 0.00 C ATOM 506 CE LYS A 81 -11.096 15.324 3.652 1.00 0.00 C ATOM 507 NZ LYS A 81 -11.129 16.645 4.318 1.00 0.00 N ATOM 0 H LYS A 81 -8.870 14.445 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.367 14.281 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.169 15.578 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.956 14.100 -0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.055 14.560 1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.840 13.397 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.334 15.257 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.528 16.431 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.112 14.950 3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.569 14.607 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.601 16.557 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.157 16.988 4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.652 17.320 3.724 1.00 0.00 H new ATOM 521 N GLU A 82 -9.782 11.601 -0.576 1.00 0.00 N ATOM 522 CA GLU A 82 -9.983 10.178 -0.360 1.00 0.00 C ATOM 523 C GLU A 82 -8.671 9.516 0.067 1.00 0.00 C ATOM 524 O GLU A 82 -8.653 8.710 0.995 1.00 0.00 O ATOM 525 CB GLU A 82 -10.554 9.510 -1.612 1.00 0.00 C ATOM 526 CG GLU A 82 -12.042 9.824 -1.771 1.00 0.00 C ATOM 527 CD GLU A 82 -12.876 9.067 -0.734 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.589 7.865 -0.543 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.780 9.707 -0.156 1.00 0.00 O ATOM 0 H GLU A 82 -10.247 11.977 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.709 10.050 0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.010 9.854 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.411 8.431 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.205 10.896 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.369 9.553 -2.775 1.00 0.00 H new ATOM 536 N ALA A 83 -7.606 9.878 -0.632 1.00 0.00 N ATOM 537 CA ALA A 83 -6.305 9.289 -0.374 1.00 0.00 C ATOM 538 C ALA A 83 -5.856 9.652 1.043 1.00 0.00 C ATOM 539 O ALA A 83 -5.393 8.790 1.791 1.00 0.00 O ATOM 540 CB ALA A 83 -5.310 9.760 -1.438 1.00 0.00 C ATOM 0 H ALA A 83 -7.618 10.573 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.359 8.202 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.333 9.317 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.658 9.452 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.229 10.846 -1.405 1.00 0.00 H new ATOM 546 N LYS A 84 -6.011 10.926 1.370 1.00 0.00 N ATOM 547 CA LYS A 84 -5.621 11.414 2.683 1.00 0.00 C ATOM 548 C LYS A 84 -6.362 10.616 3.759 1.00 0.00 C ATOM 549 O LYS A 84 -5.739 10.049 4.655 1.00 0.00 O ATOM 550 CB LYS A 84 -5.840 12.925 2.779 1.00 0.00 C ATOM 551 CG LYS A 84 -5.309 13.473 4.105 1.00 0.00 C ATOM 552 CD LYS A 84 -5.518 14.986 4.197 1.00 0.00 C ATOM 553 CE LYS A 84 -5.317 15.480 5.631 1.00 0.00 C ATOM 554 NZ LYS A 84 -5.139 16.949 5.651 1.00 0.00 N ATOM 0 H LYS A 84 -6.401 11.635 0.749 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.555 11.258 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.338 13.422 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.903 13.148 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.816 12.981 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.248 13.243 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.820 15.494 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.523 15.239 3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.177 15.203 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.445 14.996 6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.004 17.269 6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.305 17.205 5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.983 17.406 5.251 1.00 0.00 H new ATOM 568 N ASP A 85 -7.681 10.597 3.633 1.00 0.00 N ATOM 569 CA ASP A 85 -8.513 9.899 4.598 1.00 0.00 C ATOM 570 C ASP A 85 -8.078 8.434 4.676 1.00 0.00 C ATOM 571 O ASP A 85 -7.911 7.890 5.766 1.00 0.00 O ATOM 572 CB ASP A 85 -9.986 9.932 4.182 1.00 0.00 C ATOM 573 CG ASP A 85 -10.627 11.321 4.185 1.00 0.00 C ATOM 574 OD1 ASP A 85 -9.986 12.241 4.740 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.744 11.432 3.636 1.00 0.00 O ATOM 0 H ASP A 85 -8.193 11.053 2.878 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.398 10.395 5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.075 9.509 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.552 9.286 4.853 1.00 0.00 H new ATOM 580 N LEU A 86 -7.906 7.838 3.505 1.00 0.00 N ATOM 581 CA LEU A 86 -7.505 6.443 3.427 1.00 0.00 C ATOM 582 C LEU A 86 -6.309 6.208 4.352 1.00 0.00 C ATOM 583 O LEU A 86 -6.375 5.379 5.259 1.00 0.00 O ATOM 584 CB LEU A 86 -7.249 6.041 1.974 1.00 0.00 C ATOM 585 CG LEU A 86 -6.754 4.610 1.752 1.00 0.00 C ATOM 586 CD1 LEU A 86 -5.263 4.489 2.080 1.00 0.00 C ATOM 587 CD2 LEU A 86 -7.597 3.609 2.544 1.00 0.00 C ATOM 0 H LEU A 86 -8.037 8.295 2.603 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.309 5.794 3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.173 6.176 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.516 6.728 1.551 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.873 4.367 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.936 3.463 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.693 5.160 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.097 4.759 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.224 2.600 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.532 3.840 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.636 3.673 2.221 1.00 0.00 H new ATOM 599 N VAL A 87 -5.245 6.952 4.090 1.00 0.00 N ATOM 600 CA VAL A 87 -4.015 6.792 4.848 1.00 0.00 C ATOM 601 C VAL A 87 -4.296 7.056 6.329 1.00 0.00 C ATOM 602 O VAL A 87 -3.760 6.370 7.198 1.00 0.00 O ATOM 603 CB VAL A 87 -2.926 7.701 4.276 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.720 7.771 5.216 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.505 7.239 2.879 1.00 0.00 C ATOM 0 H VAL A 87 -5.209 7.667 3.364 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.645 5.770 4.764 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.340 8.705 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.961 8.424 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.034 8.167 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.306 6.772 5.351 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.730 7.902 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.118 6.221 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.367 7.264 2.212 1.00 0.00 H new ATOM 615 N GLU A 88 -5.137 8.050 6.571 1.00 0.00 N ATOM 616 CA GLU A 88 -5.443 8.457 7.931 1.00 0.00 C ATOM 617 C GLU A 88 -6.307 7.398 8.620 1.00 0.00 C ATOM 618 O GLU A 88 -6.440 7.399 9.843 1.00 0.00 O ATOM 619 CB GLU A 88 -6.131 9.824 7.954 1.00 0.00 C ATOM 620 CG GLU A 88 -5.120 10.950 7.725 1.00 0.00 C ATOM 621 CD GLU A 88 -5.754 12.317 7.986 1.00 0.00 C ATOM 622 OE1 GLU A 88 -6.689 12.662 7.233 1.00 0.00 O ATOM 623 OE2 GLU A 88 -5.287 12.987 8.934 1.00 0.00 O ATOM 0 H GLU A 88 -5.616 8.586 5.847 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.506 8.549 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.902 9.860 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.630 9.968 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.261 10.812 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.748 10.907 6.701 1.00 0.00 H new ATOM 630 N SER A 89 -6.872 6.520 7.806 1.00 0.00 N ATOM 631 CA SER A 89 -7.761 5.489 8.316 1.00 0.00 C ATOM 632 C SER A 89 -7.000 4.171 8.468 1.00 0.00 C ATOM 633 O SER A 89 -7.602 3.098 8.465 1.00 0.00 O ATOM 634 CB SER A 89 -8.971 5.301 7.398 1.00 0.00 C ATOM 635 OG SER A 89 -9.770 6.477 7.319 1.00 0.00 O ATOM 0 H SER A 89 -6.732 6.500 6.796 1.00 0.00 H new ATOM 0 HA SER A 89 -8.126 5.805 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.629 5.027 6.400 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.579 4.474 7.765 1.00 0.00 H new ATOM 0 HG SER A 89 -9.300 7.157 6.793 1.00 0.00 H new ATOM 641 N ALA A 90 -5.687 4.294 8.598 1.00 0.00 N ATOM 642 CA ALA A 90 -4.842 3.127 8.784 1.00 0.00 C ATOM 643 C ALA A 90 -5.226 2.426 10.088 1.00 0.00 C ATOM 644 O ALA A 90 -5.615 3.077 11.056 1.00 0.00 O ATOM 645 CB ALA A 90 -3.371 3.554 8.765 1.00 0.00 C ATOM 0 H ALA A 90 -5.188 5.183 8.578 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.988 2.415 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.736 2.679 8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.140 4.021 7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.189 4.267 9.569 1.00 0.00 H new ATOM 651 N PRO A 91 -5.103 1.072 10.070 1.00 0.00 N ATOM 652 CA PRO A 91 -4.634 0.378 8.882 1.00 0.00 C ATOM 653 C PRO A 91 -5.726 0.327 7.812 1.00 0.00 C ATOM 654 O PRO A 91 -6.914 0.381 8.127 1.00 0.00 O ATOM 655 CB PRO A 91 -4.216 -1.000 9.370 1.00 0.00 C ATOM 656 CG PRO A 91 -4.894 -1.188 10.718 1.00 0.00 C ATOM 657 CD PRO A 91 -5.404 0.167 11.177 1.00 0.00 C ATOM 0 HA PRO A 91 -3.798 0.885 8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.524 -1.774 8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.132 -1.069 9.465 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.717 -1.898 10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.192 -1.598 11.444 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.474 0.138 11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.910 0.486 12.095 1.00 0.00 H new ATOM 665 N ALA A 92 -5.284 0.222 6.566 1.00 0.00 N ATOM 666 CA ALA A 92 -6.208 0.174 5.447 1.00 0.00 C ATOM 667 C ALA A 92 -5.557 -0.581 4.286 1.00 0.00 C ATOM 668 O ALA A 92 -4.360 -0.438 4.041 1.00 0.00 O ATOM 669 CB ALA A 92 -6.616 1.597 5.060 1.00 0.00 C ATOM 0 H ALA A 92 -4.299 0.169 6.308 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.116 -0.362 5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.310 1.561 4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.099 2.081 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.730 2.165 4.775 1.00 0.00 H new ATOM 675 N ALA A 93 -6.374 -1.369 3.602 1.00 0.00 N ATOM 676 CA ALA A 93 -5.901 -2.117 2.449 1.00 0.00 C ATOM 677 C ALA A 93 -5.685 -1.156 1.278 1.00 0.00 C ATOM 678 O ALA A 93 -6.547 -0.329 0.982 1.00 0.00 O ATOM 679 CB ALA A 93 -6.901 -3.226 2.115 1.00 0.00 C ATOM 0 H ALA A 93 -7.360 -1.506 3.824 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.945 -2.594 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.547 -3.787 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.998 -3.897 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.871 -2.785 1.888 1.00 0.00 H new ATOM 685 N LEU A 94 -4.531 -1.297 0.643 1.00 0.00 N ATOM 686 CA LEU A 94 -4.209 -0.482 -0.516 1.00 0.00 C ATOM 687 C LEU A 94 -4.624 -1.226 -1.787 1.00 0.00 C ATOM 688 O LEU A 94 -5.195 -0.632 -2.701 1.00 0.00 O ATOM 689 CB LEU A 94 -2.734 -0.076 -0.493 1.00 0.00 C ATOM 690 CG LEU A 94 -2.308 0.834 0.660 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.820 1.183 0.562 1.00 0.00 C ATOM 692 CD2 LEU A 94 -3.186 2.083 0.728 1.00 0.00 C ATOM 0 H LEU A 94 -3.807 -1.964 0.909 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.772 0.451 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.129 -0.982 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.501 0.427 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.451 0.290 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.543 1.831 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.228 0.268 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.628 1.698 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.861 2.712 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.100 2.640 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.225 1.790 0.881 1.00 0.00 H new ATOM 704 N LYS A 95 -4.319 -2.515 -1.806 1.00 0.00 N ATOM 705 CA LYS A 95 -4.637 -3.343 -2.957 1.00 0.00 C ATOM 706 C LYS A 95 -4.983 -4.756 -2.484 1.00 0.00 C ATOM 707 O LYS A 95 -4.466 -5.218 -1.468 1.00 0.00 O ATOM 708 CB LYS A 95 -3.500 -3.298 -3.980 1.00 0.00 C ATOM 709 CG LYS A 95 -2.688 -2.008 -3.840 1.00 0.00 C ATOM 710 CD LYS A 95 -1.579 -1.942 -4.894 1.00 0.00 C ATOM 711 CE LYS A 95 -0.342 -2.716 -4.436 1.00 0.00 C ATOM 712 NZ LYS A 95 0.628 -2.846 -5.546 1.00 0.00 N ATOM 0 H LYS A 95 -3.855 -3.007 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.515 -2.956 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.847 -4.160 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.910 -3.367 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.347 -1.146 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.251 -1.955 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.942 -2.354 -5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.313 -0.902 -5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.125 -2.203 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.634 -3.705 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.462 -3.374 -5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.184 -3.355 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.920 -1.900 -5.864 1.00 0.00 H new ATOM 726 N GLU A 96 -5.853 -5.404 -3.244 1.00 0.00 N ATOM 727 CA GLU A 96 -6.287 -6.749 -2.906 1.00 0.00 C ATOM 728 C GLU A 96 -6.050 -7.696 -4.084 1.00 0.00 C ATOM 729 O GLU A 96 -6.480 -7.419 -5.204 1.00 0.00 O ATOM 730 CB GLU A 96 -7.756 -6.760 -2.480 1.00 0.00 C ATOM 731 CG GLU A 96 -7.974 -5.892 -1.239 1.00 0.00 C ATOM 732 CD GLU A 96 -9.411 -6.019 -0.727 1.00 0.00 C ATOM 733 OE1 GLU A 96 -9.716 -7.086 -0.152 1.00 0.00 O ATOM 734 OE2 GLU A 96 -10.171 -5.045 -0.921 1.00 0.00 O ATOM 0 H GLU A 96 -6.270 -5.023 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.695 -7.099 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.378 -6.395 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.070 -7.783 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.277 -6.190 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.760 -4.850 -1.477 1.00 0.00 H new ATOM 741 N GLY A 97 -5.368 -8.792 -3.794 1.00 0.00 N ATOM 742 CA GLY A 97 -5.101 -9.800 -4.806 1.00 0.00 C ATOM 743 C GLY A 97 -4.429 -9.180 -6.033 1.00 0.00 C ATOM 744 O GLY A 97 -4.996 -9.185 -7.125 1.00 0.00 O ATOM 0 H GLY A 97 -4.991 -9.006 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.460 -10.577 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.034 -10.280 -5.101 1.00 0.00 H new ATOM 748 N VAL A 98 -3.230 -8.660 -5.810 1.00 0.00 N ATOM 749 CA VAL A 98 -2.460 -8.067 -6.891 1.00 0.00 C ATOM 750 C VAL A 98 -1.225 -8.927 -7.163 1.00 0.00 C ATOM 751 O VAL A 98 -0.809 -9.709 -6.311 1.00 0.00 O ATOM 752 CB VAL A 98 -2.116 -6.615 -6.552 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.380 -5.755 -6.476 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.316 -6.531 -5.252 1.00 0.00 C ATOM 0 H VAL A 98 -2.774 -8.637 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.046 -8.042 -7.809 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.492 -6.222 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.107 -4.728 -6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.893 -5.777 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.041 -6.147 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.084 -5.488 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.904 -6.951 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.389 -7.094 -5.358 1.00 0.00 H new ATOM 764 N SER A 99 -0.672 -8.752 -8.355 1.00 0.00 N ATOM 765 CA SER A 99 0.510 -9.500 -8.749 1.00 0.00 C ATOM 766 C SER A 99 1.645 -9.246 -7.755 1.00 0.00 C ATOM 767 O SER A 99 1.814 -8.127 -7.274 1.00 0.00 O ATOM 768 CB SER A 99 0.950 -9.127 -10.165 1.00 0.00 C ATOM 769 OG SER A 99 1.357 -7.765 -10.256 1.00 0.00 O ATOM 0 H SER A 99 -1.021 -8.103 -9.060 1.00 0.00 H new ATOM 0 HA SER A 99 0.262 -10.561 -8.743 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.773 -9.773 -10.471 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.129 -9.307 -10.859 1.00 0.00 H new ATOM 0 HG SER A 99 0.579 -7.204 -10.454 1.00 0.00 H new ATOM 775 N LYS A 100 2.393 -10.305 -7.478 1.00 0.00 N ATOM 776 CA LYS A 100 3.494 -10.215 -6.533 1.00 0.00 C ATOM 777 C LYS A 100 4.450 -9.105 -6.976 1.00 0.00 C ATOM 778 O LYS A 100 4.881 -8.292 -6.160 1.00 0.00 O ATOM 779 CB LYS A 100 4.168 -11.579 -6.368 1.00 0.00 C ATOM 780 CG LYS A 100 5.153 -11.565 -5.197 1.00 0.00 C ATOM 781 CD LYS A 100 6.568 -11.232 -5.674 1.00 0.00 C ATOM 782 CE LYS A 100 7.159 -12.388 -6.484 1.00 0.00 C ATOM 783 NZ LYS A 100 7.577 -11.919 -7.825 1.00 0.00 N ATOM 0 H LYS A 100 2.259 -11.228 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 100 3.128 -9.944 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.411 -12.345 -6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.693 -11.843 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.833 -10.832 -4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.151 -12.537 -4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.547 -10.329 -6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.205 -11.022 -4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.014 -12.810 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.422 -13.185 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.976 -12.715 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.753 -11.538 -8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.296 -11.175 -7.724 1.00 0.00 H new ATOM 797 N ASP A 101 4.753 -9.109 -8.265 1.00 0.00 N ATOM 798 CA ASP A 101 5.706 -8.157 -8.812 1.00 0.00 C ATOM 799 C ASP A 101 5.266 -6.737 -8.452 1.00 0.00 C ATOM 800 O ASP A 101 6.099 -5.878 -8.168 1.00 0.00 O ATOM 801 CB ASP A 101 5.774 -8.260 -10.336 1.00 0.00 C ATOM 802 CG ASP A 101 6.354 -9.571 -10.872 1.00 0.00 C ATOM 803 OD1 ASP A 101 5.620 -10.580 -10.819 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.520 -9.533 -11.321 1.00 0.00 O ATOM 0 H ASP A 101 4.356 -9.756 -8.947 1.00 0.00 H new ATOM 0 HA ASP A 101 6.686 -8.382 -8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.769 -8.134 -10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.375 -7.433 -10.714 1.00 0.00 H new ATOM 809 N ASP A 102 3.958 -6.533 -8.478 1.00 0.00 N ATOM 810 CA ASP A 102 3.400 -5.217 -8.217 1.00 0.00 C ATOM 811 C ASP A 102 3.450 -4.934 -6.714 1.00 0.00 C ATOM 812 O ASP A 102 3.615 -3.789 -6.300 1.00 0.00 O ATOM 813 CB ASP A 102 1.938 -5.138 -8.663 1.00 0.00 C ATOM 814 CG ASP A 102 1.731 -4.907 -10.162 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.673 -4.376 -10.789 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.635 -5.264 -10.645 1.00 0.00 O ATOM 0 H ASP A 102 3.268 -7.257 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 102 3.987 -4.487 -8.774 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.437 -6.064 -8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.450 -4.332 -8.116 1.00 0.00 H new ATOM 821 N ALA A 103 3.305 -5.999 -5.939 1.00 0.00 N ATOM 822 CA ALA A 103 3.304 -5.876 -4.491 1.00 0.00 C ATOM 823 C ALA A 103 4.691 -5.434 -4.021 1.00 0.00 C ATOM 824 O ALA A 103 4.816 -4.474 -3.261 1.00 0.00 O ATOM 825 CB ALA A 103 2.874 -7.205 -3.867 1.00 0.00 C ATOM 0 H ALA A 103 3.187 -6.951 -6.286 1.00 0.00 H new ATOM 0 HA ALA A 103 2.589 -5.118 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.873 -7.114 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.872 -7.461 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.571 -7.989 -4.164 1.00 0.00 H new ATOM 831 N GLU A 104 5.698 -6.153 -4.492 1.00 0.00 N ATOM 832 CA GLU A 104 7.065 -5.898 -4.068 1.00 0.00 C ATOM 833 C GLU A 104 7.555 -4.564 -4.636 1.00 0.00 C ATOM 834 O GLU A 104 8.360 -3.878 -4.011 1.00 0.00 O ATOM 835 CB GLU A 104 7.990 -7.044 -4.479 1.00 0.00 C ATOM 836 CG GLU A 104 8.301 -6.988 -5.977 1.00 0.00 C ATOM 837 CD GLU A 104 9.257 -8.111 -6.381 1.00 0.00 C ATOM 838 OE1 GLU A 104 8.873 -9.283 -6.179 1.00 0.00 O ATOM 839 OE2 GLU A 104 10.351 -7.773 -6.883 1.00 0.00 O ATOM 0 H GLU A 104 5.595 -6.913 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 104 7.083 -5.836 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.918 -6.990 -3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.522 -7.998 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.376 -7.071 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.743 -6.023 -6.224 1.00 0.00 H new ATOM 846 N ALA A 105 7.050 -4.240 -5.817 1.00 0.00 N ATOM 847 CA ALA A 105 7.467 -3.027 -6.501 1.00 0.00 C ATOM 848 C ALA A 105 7.095 -1.812 -5.649 1.00 0.00 C ATOM 849 O ALA A 105 7.935 -0.953 -5.386 1.00 0.00 O ATOM 850 CB ALA A 105 6.829 -2.981 -7.892 1.00 0.00 C ATOM 0 H ALA A 105 6.356 -4.796 -6.318 1.00 0.00 H new ATOM 0 HA ALA A 105 8.548 -3.015 -6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.141 -2.072 -8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.148 -3.850 -8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.743 -2.988 -7.795 1.00 0.00 H new ATOM 856 N LEU A 106 5.834 -1.779 -5.241 1.00 0.00 N ATOM 857 CA LEU A 106 5.335 -0.671 -4.445 1.00 0.00 C ATOM 858 C LEU A 106 5.957 -0.731 -3.048 1.00 0.00 C ATOM 859 O LEU A 106 6.293 0.303 -2.470 1.00 0.00 O ATOM 860 CB LEU A 106 3.804 -0.665 -4.437 1.00 0.00 C ATOM 861 CG LEU A 106 3.142 0.632 -3.965 1.00 0.00 C ATOM 862 CD1 LEU A 106 3.281 1.732 -5.019 1.00 0.00 C ATOM 863 CD2 LEU A 106 1.681 0.391 -3.579 1.00 0.00 C ATOM 0 H LEU A 106 5.144 -2.501 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 106 5.633 0.280 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.454 -0.882 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.460 -1.479 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 106 3.660 0.975 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.803 2.643 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.337 1.926 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.802 1.412 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.233 1.328 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.134 0.013 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.634 -0.340 -2.772 1.00 0.00 H new ATOM 875 N LYS A 107 6.092 -1.949 -2.547 1.00 0.00 N ATOM 876 CA LYS A 107 6.664 -2.157 -1.227 1.00 0.00 C ATOM 877 C LYS A 107 8.045 -1.499 -1.166 1.00 0.00 C ATOM 878 O LYS A 107 8.333 -0.737 -0.245 1.00 0.00 O ATOM 879 CB LYS A 107 6.676 -3.645 -0.876 1.00 0.00 C ATOM 880 CG LYS A 107 7.077 -3.862 0.585 1.00 0.00 C ATOM 881 CD LYS A 107 7.428 -5.327 0.846 1.00 0.00 C ATOM 882 CE LYS A 107 8.854 -5.640 0.390 1.00 0.00 C ATOM 883 NZ LYS A 107 9.260 -6.989 0.846 1.00 0.00 N ATOM 0 H LYS A 107 5.815 -2.803 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 107 6.048 -1.679 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.689 -4.072 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.372 -4.171 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.932 -3.231 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.260 -3.558 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.327 -5.545 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.725 -5.972 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.915 -5.583 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.541 -4.893 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.230 -7.185 0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.221 -7.031 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.614 -7.700 0.446 1.00 0.00 H new ATOM 897 N LYS A 108 8.861 -1.818 -2.160 1.00 0.00 N ATOM 898 CA LYS A 108 10.214 -1.290 -2.215 1.00 0.00 C ATOM 899 C LYS A 108 10.165 0.237 -2.129 1.00 0.00 C ATOM 900 O LYS A 108 10.944 0.847 -1.399 1.00 0.00 O ATOM 901 CB LYS A 108 10.943 -1.814 -3.454 1.00 0.00 C ATOM 902 CG LYS A 108 11.356 -3.274 -3.269 1.00 0.00 C ATOM 903 CD LYS A 108 11.695 -3.922 -4.615 1.00 0.00 C ATOM 904 CE LYS A 108 12.026 -5.405 -4.441 1.00 0.00 C ATOM 905 NZ LYS A 108 12.166 -6.063 -5.760 1.00 0.00 N ATOM 0 H LYS A 108 8.612 -2.435 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 108 10.795 -1.639 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.296 -1.723 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.826 -1.204 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.219 -3.330 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.548 -3.826 -2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.853 -3.811 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.543 -3.407 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.951 -5.513 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.240 -5.894 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.356 -6.696 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.193 -5.340 -6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.047 -6.616 -5.781 1.00 0.00 H new ATOM 919 N ALA A 109 9.241 0.811 -2.885 1.00 0.00 N ATOM 920 CA ALA A 109 9.096 2.256 -2.921 1.00 0.00 C ATOM 921 C ALA A 109 8.647 2.755 -1.547 1.00 0.00 C ATOM 922 O ALA A 109 9.116 3.788 -1.074 1.00 0.00 O ATOM 923 CB ALA A 109 8.115 2.642 -4.032 1.00 0.00 C ATOM 0 H ALA A 109 8.585 0.302 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 109 10.050 2.732 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.005 3.726 -4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.495 2.291 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.145 2.184 -3.836 1.00 0.00 H new ATOM 929 N LEU A 110 7.742 1.997 -0.944 1.00 0.00 N ATOM 930 CA LEU A 110 7.194 2.372 0.348 1.00 0.00 C ATOM 931 C LEU A 110 8.314 2.381 1.390 1.00 0.00 C ATOM 932 O LEU A 110 8.387 3.285 2.221 1.00 0.00 O ATOM 933 CB LEU A 110 6.020 1.461 0.715 1.00 0.00 C ATOM 934 CG LEU A 110 4.776 1.582 -0.167 1.00 0.00 C ATOM 935 CD1 LEU A 110 4.031 0.247 -0.250 1.00 0.00 C ATOM 936 CD2 LEU A 110 3.869 2.714 0.316 1.00 0.00 C ATOM 0 H LEU A 110 7.375 1.126 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 110 6.786 3.382 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.364 0.427 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.732 1.670 1.745 1.00 0.00 H new ATOM 0 HG LEU A 110 5.097 1.836 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.151 0.360 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.689 -0.511 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.722 -0.060 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.992 2.778 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.553 2.515 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.414 3.657 0.281 1.00 0.00 H new ATOM 948 N GLU A 111 9.160 1.364 1.312 1.00 0.00 N ATOM 949 CA GLU A 111 10.266 1.238 2.245 1.00 0.00 C ATOM 950 C GLU A 111 11.292 2.347 2.006 1.00 0.00 C ATOM 951 O GLU A 111 11.861 2.886 2.954 1.00 0.00 O ATOM 952 CB GLU A 111 10.917 -0.143 2.141 1.00 0.00 C ATOM 953 CG GLU A 111 9.963 -1.237 2.623 1.00 0.00 C ATOM 954 CD GLU A 111 10.088 -1.446 4.135 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.172 -1.900 4.556 1.00 0.00 O ATOM 956 OE2 GLU A 111 9.095 -1.146 4.832 1.00 0.00 O ATOM 0 H GLU A 111 9.101 0.620 0.617 1.00 0.00 H new ATOM 0 HA GLU A 111 9.875 1.344 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.205 -0.336 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.830 -0.164 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.937 -0.966 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.182 -2.170 2.104 1.00 0.00 H new ATOM 963 N GLU A 112 11.497 2.656 0.734 1.00 0.00 N ATOM 964 CA GLU A 112 12.415 3.719 0.360 1.00 0.00 C ATOM 965 C GLU A 112 12.008 5.031 1.032 1.00 0.00 C ATOM 966 O GLU A 112 12.864 5.824 1.422 1.00 0.00 O ATOM 967 CB GLU A 112 12.479 3.878 -1.160 1.00 0.00 C ATOM 968 CG GLU A 112 13.375 2.807 -1.786 1.00 0.00 C ATOM 969 CD GLU A 112 14.845 3.229 -1.745 1.00 0.00 C ATOM 970 OE1 GLU A 112 15.457 3.052 -0.670 1.00 0.00 O ATOM 971 OE2 GLU A 112 15.322 3.722 -2.791 1.00 0.00 O ATOM 0 H GLU A 112 11.043 2.189 -0.051 1.00 0.00 H new ATOM 0 HA GLU A 112 13.413 3.450 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.475 3.808 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.860 4.868 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.248 1.865 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.072 2.632 -2.818 1.00 0.00 H new ATOM 978 N ALA A 113 10.701 5.221 1.145 1.00 0.00 N ATOM 979 CA ALA A 113 10.170 6.440 1.732 1.00 0.00 C ATOM 980 C ALA A 113 10.254 6.346 3.257 1.00 0.00 C ATOM 981 O ALA A 113 10.498 7.345 3.931 1.00 0.00 O ATOM 982 CB ALA A 113 8.740 6.663 1.239 1.00 0.00 C ATOM 0 H ALA A 113 9.995 4.551 0.840 1.00 0.00 H new ATOM 0 HA ALA A 113 10.759 7.303 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.342 7.577 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.740 6.753 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.118 5.818 1.533 1.00 0.00 H new ATOM 988 N GLY A 114 10.047 5.136 3.755 1.00 0.00 N ATOM 989 CA GLY A 114 10.129 4.892 5.185 1.00 0.00 C ATOM 990 C GLY A 114 8.739 4.682 5.786 1.00 0.00 C ATOM 991 O GLY A 114 8.335 5.408 6.695 1.00 0.00 O ATOM 0 H GLY A 114 9.823 4.314 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.747 4.014 5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.617 5.735 5.674 1.00 0.00 H new ATOM 995 N ALA A 115 8.044 3.686 5.257 1.00 0.00 N ATOM 996 CA ALA A 115 6.724 3.345 5.759 1.00 0.00 C ATOM 997 C ALA A 115 6.663 1.843 6.043 1.00 0.00 C ATOM 998 O ALA A 115 7.524 1.087 5.594 1.00 0.00 O ATOM 999 CB ALA A 115 5.663 3.791 4.751 1.00 0.00 C ATOM 0 H ALA A 115 8.370 3.104 4.486 1.00 0.00 H new ATOM 0 HA ALA A 115 6.524 3.866 6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.673 3.535 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.729 4.869 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.831 3.287 3.799 1.00 0.00 H new ATOM 1005 N GLU A 116 5.639 1.455 6.788 1.00 0.00 N ATOM 1006 CA GLU A 116 5.455 0.055 7.137 1.00 0.00 C ATOM 1007 C GLU A 116 4.235 -0.516 6.410 1.00 0.00 C ATOM 1008 O GLU A 116 3.114 -0.056 6.618 1.00 0.00 O ATOM 1009 CB GLU A 116 5.324 -0.119 8.652 1.00 0.00 C ATOM 1010 CG GLU A 116 5.442 -1.594 9.045 1.00 0.00 C ATOM 1011 CD GLU A 116 5.774 -1.737 10.532 1.00 0.00 C ATOM 1012 OE1 GLU A 116 5.016 -1.159 11.341 1.00 0.00 O ATOM 1013 OE2 GLU A 116 6.776 -2.423 10.827 1.00 0.00 O ATOM 0 H GLU A 116 4.928 2.084 7.160 1.00 0.00 H new ATOM 0 HA GLU A 116 6.337 -0.500 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.098 0.459 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.364 0.275 8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.507 -2.109 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.217 -2.073 8.447 1.00 0.00 H new ATOM 1020 N VAL A 117 4.497 -1.510 5.575 1.00 0.00 N ATOM 1021 CA VAL A 117 3.442 -2.124 4.788 1.00 0.00 C ATOM 1022 C VAL A 117 3.371 -3.618 5.114 1.00 0.00 C ATOM 1023 O VAL A 117 4.400 -4.276 5.252 1.00 0.00 O ATOM 1024 CB VAL A 117 3.668 -1.847 3.301 1.00 0.00 C ATOM 1025 CG1 VAL A 117 2.602 -2.534 2.447 1.00 0.00 C ATOM 1026 CG2 VAL A 117 3.708 -0.343 3.023 1.00 0.00 C ATOM 0 H VAL A 117 5.425 -1.906 5.426 1.00 0.00 H new ATOM 0 HA VAL A 117 2.475 -1.689 5.042 1.00 0.00 H new ATOM 0 HB VAL A 117 4.637 -2.264 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.786 -2.321 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.642 -3.611 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.616 -2.161 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.870 -0.174 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.762 0.108 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.521 0.110 3.590 1.00 0.00 H new ATOM 1036 N GLU A 118 2.145 -4.108 5.227 1.00 0.00 N ATOM 1037 CA GLU A 118 1.927 -5.514 5.519 1.00 0.00 C ATOM 1038 C GLU A 118 1.612 -6.280 4.231 1.00 0.00 C ATOM 1039 O GLU A 118 0.790 -5.841 3.430 1.00 0.00 O ATOM 1040 CB GLU A 118 0.811 -5.694 6.550 1.00 0.00 C ATOM 1041 CG GLU A 118 0.520 -7.178 6.790 1.00 0.00 C ATOM 1042 CD GLU A 118 1.706 -7.867 7.467 1.00 0.00 C ATOM 1043 OE1 GLU A 118 2.671 -8.182 6.737 1.00 0.00 O ATOM 1044 OE2 GLU A 118 1.621 -8.063 8.698 1.00 0.00 O ATOM 0 H GLU A 118 1.293 -3.557 5.122 1.00 0.00 H new ATOM 0 HA GLU A 118 2.842 -5.922 5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.098 -5.220 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.093 -5.194 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.369 -7.282 7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.304 -7.668 5.841 1.00 0.00 H new ATOM 1051 N VAL A 119 2.283 -7.412 4.076 1.00 0.00 N ATOM 1052 CA VAL A 119 2.081 -8.246 2.904 1.00 0.00 C ATOM 1053 C VAL A 119 1.328 -9.515 3.311 1.00 0.00 C ATOM 1054 O VAL A 119 1.765 -10.240 4.202 1.00 0.00 O ATOM 1055 CB VAL A 119 3.422 -8.538 2.229 1.00 0.00 C ATOM 1056 CG1 VAL A 119 3.229 -9.369 0.960 1.00 0.00 C ATOM 1057 CG2 VAL A 119 4.177 -7.241 1.926 1.00 0.00 C ATOM 0 H VAL A 119 2.967 -7.771 4.742 1.00 0.00 H new ATOM 0 HA VAL A 119 1.469 -7.726 2.167 1.00 0.00 H new ATOM 0 HB VAL A 119 4.025 -9.123 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 119 4.198 -9.562 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.753 -10.316 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.598 -8.822 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 119 5.127 -7.477 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.579 -6.619 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.363 -6.703 2.855 1.00 0.00 H new ATOM 1067 N LYS A 120 0.210 -9.743 2.637 1.00 0.00 N ATOM 1068 CA LYS A 120 -0.615 -10.905 2.927 1.00 0.00 C ATOM 1069 C LYS A 120 -0.929 -11.639 1.623 1.00 0.00 C ATOM 1070 O LYS A 120 -0.498 -11.220 0.551 1.00 0.00 O ATOM 1071 CB LYS A 120 -1.859 -10.495 3.719 1.00 0.00 C ATOM 1072 CG LYS A 120 -1.801 -11.034 5.150 1.00 0.00 C ATOM 1073 CD LYS A 120 -2.990 -10.534 5.972 1.00 0.00 C ATOM 1074 CE LYS A 120 -4.276 -11.260 5.574 1.00 0.00 C ATOM 1075 NZ LYS A 120 -5.379 -10.901 6.493 1.00 0.00 N ATOM 1076 OXT LYS A 120 -1.660 -12.695 1.754 1.00 0.00 O ATOM 0 H LYS A 120 -0.144 -9.144 1.891 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.077 -11.606 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.940 -9.408 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -2.752 -10.872 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -1.799 -12.124 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -0.870 -10.721 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -2.794 -10.689 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -3.113 -9.461 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -4.547 -10.998 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -4.114 -12.338 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.245 -11.402 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.124 -11.173 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -5.544 -9.875 6.453 1.00 0.00 H new