USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=6 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+ -129:sc= 1.08 (180deg=-0.127) USER MOD Single : A 64 ASN : amide:sc= -2 K(o=-2,f=0.83) 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 -74:sc= 1.17 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 -23:sc= 1.2 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -78:sc= 0.093 USER MOD Single : A 100 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00917) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 163:sc= 1.17 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.536 -14.733 -5.547 1.00 0.00 N ATOM 88 CA GLU A 53 -2.050 -13.382 -5.400 1.00 0.00 C ATOM 89 C GLU A 53 -1.878 -12.902 -3.958 1.00 0.00 C ATOM 90 O GLU A 53 -2.421 -13.503 -3.031 1.00 0.00 O ATOM 91 CB GLU A 53 -3.515 -13.302 -5.834 1.00 0.00 C ATOM 92 CG GLU A 53 -3.643 -13.389 -7.356 1.00 0.00 C ATOM 93 CD GLU A 53 -5.078 -13.731 -7.766 1.00 0.00 C ATOM 94 OE1 GLU A 53 -5.606 -14.717 -7.213 1.00 0.00 O ATOM 95 OE2 GLU A 53 -5.611 -12.994 -8.624 1.00 0.00 O ATOM 0 HA GLU A 53 -1.476 -12.723 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.079 -14.112 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.952 -12.367 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.349 -12.440 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.961 -14.148 -7.739 1.00 0.00 H new ATOM 102 N PHE A 54 -1.119 -11.826 -3.812 1.00 0.00 N ATOM 103 CA PHE A 54 -0.834 -11.284 -2.494 1.00 0.00 C ATOM 104 C PHE A 54 -1.649 -10.015 -2.236 1.00 0.00 C ATOM 105 O PHE A 54 -2.054 -9.332 -3.176 1.00 0.00 O ATOM 106 CB PHE A 54 0.655 -10.935 -2.465 1.00 0.00 C ATOM 107 CG PHE A 54 1.580 -12.144 -2.604 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.765 -12.724 -3.819 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.220 -12.641 -1.510 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.625 -13.848 -3.948 1.00 0.00 C ATOM 111 CE2 PHE A 54 3.078 -13.763 -1.638 1.00 0.00 C ATOM 112 CZ PHE A 54 3.263 -14.343 -2.854 1.00 0.00 C ATOM 0 H PHE A 54 -0.692 -11.315 -4.585 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.095 -12.014 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.869 -10.232 -3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.880 -10.424 -1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.258 -12.330 -4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.074 -12.181 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.772 -14.308 -4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.585 -14.157 -0.769 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.917 -15.197 -2.951 1.00 0.00 H new ATOM 122 N ASP A 55 -1.866 -9.738 -0.959 1.00 0.00 N ATOM 123 CA ASP A 55 -2.591 -8.542 -0.565 1.00 0.00 C ATOM 124 C ASP A 55 -1.625 -7.560 0.097 1.00 0.00 C ATOM 125 O ASP A 55 -0.837 -7.945 0.961 1.00 0.00 O ATOM 126 CB ASP A 55 -3.694 -8.874 0.443 1.00 0.00 C ATOM 127 CG ASP A 55 -4.630 -10.011 0.026 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.564 -10.394 -1.161 1.00 0.00 O ATOM 129 OD2 ASP A 55 -5.389 -10.470 0.906 1.00 0.00 O ATOM 0 H ASP A 55 -1.552 -10.321 -0.183 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.038 -8.109 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.230 -9.136 1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.290 -7.978 0.615 1.00 0.00 H new ATOM 134 N VAL A 56 -1.716 -6.309 -0.332 1.00 0.00 N ATOM 135 CA VAL A 56 -0.834 -5.275 0.185 1.00 0.00 C ATOM 136 C VAL A 56 -1.644 -4.303 1.046 1.00 0.00 C ATOM 137 O VAL A 56 -2.486 -3.567 0.534 1.00 0.00 O ATOM 138 CB VAL A 56 -0.105 -4.586 -0.970 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.727 -3.404 -0.465 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.765 -5.579 -1.740 1.00 0.00 C ATOM 0 H VAL A 56 -2.386 -5.988 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.066 -5.711 0.823 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.857 -4.198 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.235 -2.931 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.073 -2.678 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.466 -3.760 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.272 -5.063 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.506 -6.011 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.138 -6.373 -2.147 1.00 0.00 H new ATOM 150 N ILE A 57 -1.362 -4.333 2.341 1.00 0.00 N ATOM 151 CA ILE A 57 -2.036 -3.448 3.274 1.00 0.00 C ATOM 152 C ILE A 57 -1.071 -2.342 3.709 1.00 0.00 C ATOM 153 O ILE A 57 0.129 -2.577 3.838 1.00 0.00 O ATOM 154 CB ILE A 57 -2.624 -4.245 4.439 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.992 -4.823 4.074 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.682 -3.394 5.710 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.846 -6.032 3.148 1.00 0.00 C ATOM 0 H ILE A 57 -0.676 -4.957 2.765 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.884 -2.961 2.792 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.964 -5.088 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.521 -5.117 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.596 -4.058 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.104 -3.984 6.524 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.676 -3.072 5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.308 -2.519 5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.833 -6.424 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.339 -5.730 2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.262 -6.805 3.648 1.00 0.00 H new ATOM 169 N LEU A 58 -1.631 -1.161 3.921 1.00 0.00 N ATOM 170 CA LEU A 58 -0.853 -0.043 4.426 1.00 0.00 C ATOM 171 C LEU A 58 -1.041 0.061 5.942 1.00 0.00 C ATOM 172 O LEU A 58 -2.132 0.375 6.414 1.00 0.00 O ATOM 173 CB LEU A 58 -1.207 1.241 3.673 1.00 0.00 C ATOM 174 CG LEU A 58 -0.623 2.535 4.242 1.00 0.00 C ATOM 175 CD1 LEU A 58 -0.427 3.579 3.139 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.483 3.068 5.389 1.00 0.00 C ATOM 0 H LEU A 58 -2.615 -0.954 3.752 1.00 0.00 H new ATOM 0 HA LEU A 58 0.210 -0.207 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.872 1.138 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.293 1.336 3.648 1.00 0.00 H new ATOM 0 HG LEU A 58 0.361 2.313 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.011 4.490 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.257 3.188 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.388 3.803 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.045 3.988 5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.490 3.270 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.528 2.326 6.186 1.00 0.00 H new ATOM 188 N LYS A 59 0.039 -0.207 6.660 1.00 0.00 N ATOM 189 CA LYS A 59 -0.014 -0.225 8.112 1.00 0.00 C ATOM 190 C LYS A 59 0.214 1.192 8.642 1.00 0.00 C ATOM 191 O LYS A 59 -0.663 1.764 9.289 1.00 0.00 O ATOM 192 CB LYS A 59 0.969 -1.256 8.671 1.00 0.00 C ATOM 193 CG LYS A 59 0.351 -2.655 8.678 1.00 0.00 C ATOM 194 CD LYS A 59 -0.627 -2.818 9.844 1.00 0.00 C ATOM 195 CE LYS A 59 -0.017 -3.676 10.953 1.00 0.00 C ATOM 196 NZ LYS A 59 0.031 -5.097 10.543 1.00 0.00 N ATOM 0 H LYS A 59 0.956 -0.413 6.264 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.000 -0.540 8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.879 -1.259 8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.257 -0.977 9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.168 -2.832 7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.139 -3.404 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.892 -1.838 10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.549 -3.278 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.989 -3.323 11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.606 -3.574 11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.396 -5.687 11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.498 -5.220 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.020 -5.384 10.399 1.00 0.00 H new ATOM 210 N ALA A 60 1.394 1.717 8.349 1.00 0.00 N ATOM 211 CA ALA A 60 1.765 3.039 8.829 1.00 0.00 C ATOM 212 C ALA A 60 2.536 3.776 7.732 1.00 0.00 C ATOM 213 O ALA A 60 3.514 3.253 7.199 1.00 0.00 O ATOM 214 CB ALA A 60 2.572 2.906 10.121 1.00 0.00 C ATOM 0 H ALA A 60 2.106 1.252 7.786 1.00 0.00 H new ATOM 0 HA ALA A 60 0.877 3.627 9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.850 3.897 10.480 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.969 2.402 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.473 2.324 9.929 1.00 0.00 H new ATOM 220 N ALA A 61 2.067 4.977 7.428 1.00 0.00 N ATOM 221 CA ALA A 61 2.723 5.806 6.430 1.00 0.00 C ATOM 222 C ALA A 61 4.123 6.177 6.921 1.00 0.00 C ATOM 223 O ALA A 61 5.009 6.467 6.120 1.00 0.00 O ATOM 224 CB ALA A 61 1.860 7.035 6.142 1.00 0.00 C ATOM 0 H ALA A 61 1.241 5.396 7.855 1.00 0.00 H new ATOM 0 HA ALA A 61 2.838 5.261 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.351 7.657 5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.887 6.717 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.726 7.608 7.059 1.00 0.00 H new ATOM 230 N GLY A 62 4.278 6.156 8.237 1.00 0.00 N ATOM 231 CA GLY A 62 5.553 6.496 8.845 1.00 0.00 C ATOM 232 C GLY A 62 5.788 8.007 8.816 1.00 0.00 C ATOM 233 O GLY A 62 4.838 8.787 8.770 1.00 0.00 O ATOM 0 H GLY A 62 3.542 5.909 8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.575 6.141 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.359 5.989 8.315 1.00 0.00 H new ATOM 237 N ALA A 63 7.061 8.377 8.844 1.00 0.00 N ATOM 238 CA ALA A 63 7.432 9.780 8.891 1.00 0.00 C ATOM 239 C ALA A 63 7.612 10.304 7.464 1.00 0.00 C ATOM 240 O ALA A 63 8.513 11.098 7.199 1.00 0.00 O ATOM 241 CB ALA A 63 8.695 9.947 9.737 1.00 0.00 C ATOM 0 H ALA A 63 7.848 7.728 8.835 1.00 0.00 H new ATOM 0 HA ALA A 63 6.645 10.369 9.362 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.973 11.000 9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.505 9.588 10.749 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.508 9.372 9.294 1.00 0.00 H new ATOM 247 N ASN A 64 6.740 9.838 6.582 1.00 0.00 N ATOM 248 CA ASN A 64 6.799 10.237 5.188 1.00 0.00 C ATOM 249 C ASN A 64 5.406 10.117 4.566 1.00 0.00 C ATOM 250 O ASN A 64 5.225 9.418 3.571 1.00 0.00 O ATOM 251 CB ASN A 64 7.750 9.337 4.396 1.00 0.00 C ATOM 252 CG ASN A 64 8.509 10.137 3.336 1.00 0.00 C ATOM 253 OD1 ASN A 64 9.656 9.867 3.020 1.00 0.00 O ATOM 254 ND2 ASN A 64 7.806 11.133 2.805 1.00 0.00 N ATOM 0 H ASN A 64 5.988 9.187 6.807 1.00 0.00 H new ATOM 0 HA ASN A 64 7.159 11.265 5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.459 8.864 5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.185 8.537 3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.223 11.726 2.087 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.850 11.304 3.115 1.00 0.00 H new ATOM 261 N LYS A 65 4.457 10.808 5.181 1.00 0.00 N ATOM 262 CA LYS A 65 3.078 10.748 4.732 1.00 0.00 C ATOM 263 C LYS A 65 2.980 11.316 3.315 1.00 0.00 C ATOM 264 O LYS A 65 2.079 10.958 2.558 1.00 0.00 O ATOM 265 CB LYS A 65 2.156 11.441 5.737 1.00 0.00 C ATOM 266 CG LYS A 65 0.867 10.642 5.941 1.00 0.00 C ATOM 267 CD LYS A 65 -0.175 11.468 6.700 1.00 0.00 C ATOM 268 CE LYS A 65 -0.843 12.489 5.777 1.00 0.00 C ATOM 269 NZ LYS A 65 -2.159 12.894 6.321 1.00 0.00 N ATOM 0 H LYS A 65 4.617 11.412 5.987 1.00 0.00 H new ATOM 0 HA LYS A 65 2.739 9.713 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.672 11.555 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.915 12.443 5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.464 10.341 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.085 9.728 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.931 10.806 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.301 11.983 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.202 13.364 5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.970 12.061 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.600 13.587 5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.773 12.059 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.030 13.321 7.260 1.00 0.00 H new ATOM 283 N VAL A 66 3.922 12.193 2.997 1.00 0.00 N ATOM 284 CA VAL A 66 3.924 12.854 1.704 1.00 0.00 C ATOM 285 C VAL A 66 4.159 11.814 0.605 1.00 0.00 C ATOM 286 O VAL A 66 3.286 11.580 -0.229 1.00 0.00 O ATOM 287 CB VAL A 66 4.960 13.979 1.693 1.00 0.00 C ATOM 288 CG1 VAL A 66 5.079 14.601 0.300 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.627 15.042 2.741 1.00 0.00 C ATOM 0 H VAL A 66 4.689 12.461 3.614 1.00 0.00 H new ATOM 0 HA VAL A 66 2.957 13.319 1.511 1.00 0.00 H new ATOM 0 HB VAL A 66 5.927 13.546 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.822 15.398 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.385 13.837 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.114 15.011 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.379 15.830 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.647 15.468 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.617 14.586 3.731 1.00 0.00 H new ATOM 299 N ALA A 67 5.342 11.220 0.640 1.00 0.00 N ATOM 300 CA ALA A 67 5.715 10.236 -0.361 1.00 0.00 C ATOM 301 C ALA A 67 4.647 9.143 -0.419 1.00 0.00 C ATOM 302 O ALA A 67 4.275 8.689 -1.500 1.00 0.00 O ATOM 303 CB ALA A 67 7.103 9.679 -0.038 1.00 0.00 C ATOM 0 H ALA A 67 6.055 11.401 1.346 1.00 0.00 H new ATOM 0 HA ALA A 67 5.770 10.695 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.383 8.941 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.830 10.491 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.086 9.208 0.945 1.00 0.00 H new ATOM 309 N VAL A 68 4.183 8.750 0.759 1.00 0.00 N ATOM 310 CA VAL A 68 3.174 7.710 0.857 1.00 0.00 C ATOM 311 C VAL A 68 1.947 8.118 0.038 1.00 0.00 C ATOM 312 O VAL A 68 1.549 7.409 -0.886 1.00 0.00 O ATOM 313 CB VAL A 68 2.845 7.436 2.327 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.586 6.578 2.455 1.00 0.00 C ATOM 315 CG2 VAL A 68 4.030 6.780 3.038 1.00 0.00 C ATOM 0 H VAL A 68 4.488 9.134 1.653 1.00 0.00 H new ATOM 0 HA VAL A 68 3.548 6.775 0.441 1.00 0.00 H new ATOM 0 HB VAL A 68 2.649 8.392 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.374 6.398 3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.743 7.098 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.742 5.626 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.772 6.595 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.269 5.835 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.895 7.442 2.990 1.00 0.00 H new ATOM 325 N ILE A 69 1.383 9.260 0.405 1.00 0.00 N ATOM 326 CA ILE A 69 0.180 9.744 -0.251 1.00 0.00 C ATOM 327 C ILE A 69 0.383 9.716 -1.767 1.00 0.00 C ATOM 328 O ILE A 69 -0.550 9.431 -2.517 1.00 0.00 O ATOM 329 CB ILE A 69 -0.208 11.121 0.291 1.00 0.00 C ATOM 330 CG1 ILE A 69 -0.842 11.006 1.679 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.114 11.864 -0.693 1.00 0.00 C ATOM 332 CD1 ILE A 69 -2.318 10.612 1.576 1.00 0.00 C ATOM 0 H ILE A 69 1.737 9.863 1.147 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.663 9.090 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 69 0.701 11.712 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.304 10.264 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.751 11.957 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.374 12.840 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.591 11.997 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.023 11.286 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.745 10.537 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.858 11.369 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.403 9.649 1.072 1.00 0.00 H new ATOM 344 N LYS A 70 1.609 10.013 -2.173 1.00 0.00 N ATOM 345 CA LYS A 70 1.946 10.025 -3.586 1.00 0.00 C ATOM 346 C LYS A 70 1.843 8.603 -4.143 1.00 0.00 C ATOM 347 O LYS A 70 1.170 8.372 -5.146 1.00 0.00 O ATOM 348 CB LYS A 70 3.315 10.674 -3.806 1.00 0.00 C ATOM 349 CG LYS A 70 3.260 12.177 -3.527 1.00 0.00 C ATOM 350 CD LYS A 70 4.091 12.954 -4.551 1.00 0.00 C ATOM 351 CE LYS A 70 3.933 14.463 -4.353 1.00 0.00 C ATOM 352 NZ LYS A 70 4.573 15.201 -5.465 1.00 0.00 N ATOM 0 H LYS A 70 2.381 10.247 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 70 1.236 10.638 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.052 10.206 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.642 10.503 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.225 12.519 -3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.633 12.378 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.141 12.679 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.780 12.681 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.875 14.720 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.382 14.760 -3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.457 16.224 -5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.586 14.969 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.126 14.930 -6.364 1.00 0.00 H new ATOM 366 N ALA A 71 2.520 7.687 -3.467 1.00 0.00 N ATOM 367 CA ALA A 71 2.509 6.293 -3.876 1.00 0.00 C ATOM 368 C ALA A 71 1.062 5.802 -3.958 1.00 0.00 C ATOM 369 O ALA A 71 0.697 5.090 -4.891 1.00 0.00 O ATOM 370 CB ALA A 71 3.352 5.468 -2.902 1.00 0.00 C ATOM 0 H ALA A 71 3.080 7.883 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 71 2.952 6.179 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.344 4.422 -3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.377 5.839 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.937 5.555 -1.898 1.00 0.00 H new ATOM 376 N VAL A 72 0.279 6.203 -2.968 1.00 0.00 N ATOM 377 CA VAL A 72 -1.107 5.770 -2.886 1.00 0.00 C ATOM 378 C VAL A 72 -1.854 6.230 -4.139 1.00 0.00 C ATOM 379 O VAL A 72 -2.168 5.423 -5.012 1.00 0.00 O ATOM 380 CB VAL A 72 -1.739 6.278 -1.589 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.243 5.996 -1.566 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.048 5.672 -0.368 1.00 0.00 C ATOM 0 H VAL A 72 0.577 6.823 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.167 4.682 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.600 7.358 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.668 6.367 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.720 6.498 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.413 4.922 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.517 6.050 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.140 4.586 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.007 5.947 -0.373 1.00 0.00 H new ATOM 392 N ARG A 73 -2.119 7.528 -4.186 1.00 0.00 N ATOM 393 CA ARG A 73 -2.858 8.101 -5.299 1.00 0.00 C ATOM 394 C ARG A 73 -2.255 7.643 -6.628 1.00 0.00 C ATOM 395 O ARG A 73 -2.967 7.505 -7.622 1.00 0.00 O ATOM 396 CB ARG A 73 -2.845 9.629 -5.240 1.00 0.00 C ATOM 397 CG ARG A 73 -1.456 10.179 -5.576 1.00 0.00 C ATOM 398 CD ARG A 73 -1.406 11.697 -5.388 1.00 0.00 C ATOM 399 NE ARG A 73 -2.140 12.365 -6.486 1.00 0.00 N ATOM 400 CZ ARG A 73 -2.285 13.695 -6.592 1.00 0.00 C ATOM 401 NH1 ARG A 73 -1.701 14.504 -5.699 1.00 0.00 N ATOM 402 NH2 ARG A 73 -3.012 14.211 -7.591 1.00 0.00 N ATOM 0 H ARG A 73 -1.835 8.199 -3.472 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.889 7.755 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.578 10.030 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.140 9.961 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.710 9.705 -4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.201 9.928 -6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.845 11.968 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.370 12.036 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.561 11.779 -7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.147 14.109 -4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.810 15.515 -5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.455 13.593 -8.271 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.123 15.222 -7.672 1.00 0.00 H new ATOM 416 N GLY A 74 -0.949 7.418 -6.603 1.00 0.00 N ATOM 417 CA GLY A 74 -0.235 7.021 -7.804 1.00 0.00 C ATOM 418 C GLY A 74 -0.569 5.579 -8.189 1.00 0.00 C ATOM 419 O GLY A 74 -0.616 5.241 -9.371 1.00 0.00 O ATOM 0 H GLY A 74 -0.367 7.503 -5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.496 7.690 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.838 7.119 -7.642 1.00 0.00 H new ATOM 423 N ALA A 75 -0.794 4.765 -7.169 1.00 0.00 N ATOM 424 CA ALA A 75 -1.063 3.353 -7.382 1.00 0.00 C ATOM 425 C ALA A 75 -2.559 3.154 -7.630 1.00 0.00 C ATOM 426 O ALA A 75 -2.968 2.156 -8.220 1.00 0.00 O ATOM 427 CB ALA A 75 -0.559 2.551 -6.181 1.00 0.00 C ATOM 0 H ALA A 75 -0.796 5.056 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.533 2.990 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.761 1.492 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.514 2.703 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.071 2.886 -5.279 1.00 0.00 H new ATOM 433 N THR A 76 -3.337 4.121 -7.164 1.00 0.00 N ATOM 434 CA THR A 76 -4.782 4.044 -7.287 1.00 0.00 C ATOM 435 C THR A 76 -5.304 5.180 -8.170 1.00 0.00 C ATOM 436 O THR A 76 -5.660 4.959 -9.326 1.00 0.00 O ATOM 437 CB THR A 76 -5.378 4.046 -5.878 1.00 0.00 C ATOM 438 OG1 THR A 76 -4.949 5.287 -5.323 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.740 2.991 -4.972 1.00 0.00 C ATOM 0 H THR A 76 -2.993 4.962 -6.701 1.00 0.00 H new ATOM 0 HA THR A 76 -5.088 3.123 -7.783 1.00 0.00 H new ATOM 0 HB THR A 76 -6.452 3.872 -5.937 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.996 5.233 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.199 3.034 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.895 2.001 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.671 3.185 -4.885 1.00 0.00 H new ATOM 447 N GLY A 77 -5.335 6.370 -7.590 1.00 0.00 N ATOM 448 CA GLY A 77 -5.845 7.533 -8.295 1.00 0.00 C ATOM 449 C GLY A 77 -7.055 8.128 -7.570 1.00 0.00 C ATOM 450 O GLY A 77 -7.834 8.871 -8.163 1.00 0.00 O ATOM 0 H GLY A 77 -5.015 6.554 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.060 8.285 -8.378 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.127 7.253 -9.310 1.00 0.00 H new ATOM 454 N LEU A 78 -7.174 7.776 -6.298 1.00 0.00 N ATOM 455 CA LEU A 78 -8.267 8.275 -5.482 1.00 0.00 C ATOM 456 C LEU A 78 -8.073 9.774 -5.239 1.00 0.00 C ATOM 457 O LEU A 78 -6.946 10.266 -5.243 1.00 0.00 O ATOM 458 CB LEU A 78 -8.395 7.455 -4.197 1.00 0.00 C ATOM 459 CG LEU A 78 -8.844 6.003 -4.370 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.651 5.211 -3.075 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.286 5.931 -4.876 1.00 0.00 C ATOM 0 H LEU A 78 -6.531 7.151 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.217 8.156 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.430 7.458 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.103 7.957 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.213 5.539 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.978 4.182 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.597 5.220 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.240 5.666 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.580 4.888 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.948 6.418 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.359 6.436 -5.839 1.00 0.00 H new ATOM 473 N GLY A 79 -9.190 10.456 -5.034 1.00 0.00 N ATOM 474 CA GLY A 79 -9.156 11.885 -4.768 1.00 0.00 C ATOM 475 C GLY A 79 -8.227 12.204 -3.597 1.00 0.00 C ATOM 476 O GLY A 79 -8.123 11.422 -2.652 1.00 0.00 O ATOM 0 H GLY A 79 -10.124 10.046 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.820 12.416 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.162 12.241 -4.546 1.00 0.00 H new ATOM 480 N LEU A 80 -7.574 13.352 -3.696 1.00 0.00 N ATOM 481 CA LEU A 80 -6.658 13.785 -2.654 1.00 0.00 C ATOM 482 C LEU A 80 -7.266 13.474 -1.285 1.00 0.00 C ATOM 483 O LEU A 80 -6.597 12.914 -0.418 1.00 0.00 O ATOM 484 CB LEU A 80 -6.290 15.258 -2.842 1.00 0.00 C ATOM 485 CG LEU A 80 -4.874 15.655 -2.416 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.674 15.441 -0.915 1.00 0.00 C ATOM 487 CD2 LEU A 80 -3.823 14.916 -3.246 1.00 0.00 C ATOM 0 H LEU A 80 -7.661 13.996 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.719 13.235 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.416 15.512 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.001 15.864 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.745 16.720 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.660 15.730 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.389 16.050 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.830 14.390 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.827 15.217 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.940 13.841 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.952 15.163 -4.300 1.00 0.00 H new ATOM 499 N LYS A 81 -8.528 13.850 -1.135 1.00 0.00 N ATOM 500 CA LYS A 81 -9.226 13.637 0.122 1.00 0.00 C ATOM 501 C LYS A 81 -9.243 12.142 0.445 1.00 0.00 C ATOM 502 O LYS A 81 -8.639 11.707 1.424 1.00 0.00 O ATOM 503 CB LYS A 81 -10.619 14.271 0.075 1.00 0.00 C ATOM 504 CG LYS A 81 -11.339 14.112 1.415 1.00 0.00 C ATOM 505 CD LYS A 81 -12.773 14.640 1.333 1.00 0.00 C ATOM 506 CE LYS A 81 -12.976 15.825 2.279 1.00 0.00 C ATOM 507 NZ LYS A 81 -12.316 17.035 1.741 1.00 0.00 N ATOM 0 H LYS A 81 -9.084 14.300 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.701 14.134 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.533 15.329 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.208 13.806 -0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.351 13.061 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.794 14.649 2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.994 14.945 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.473 13.844 1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.041 16.013 2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.569 15.588 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.463 17.830 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.297 16.857 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.724 17.269 0.813 1.00 0.00 H new ATOM 521 N GLU A 82 -9.941 11.395 -0.399 1.00 0.00 N ATOM 522 CA GLU A 82 -10.063 9.960 -0.202 1.00 0.00 C ATOM 523 C GLU A 82 -8.723 9.366 0.237 1.00 0.00 C ATOM 524 O GLU A 82 -8.665 8.587 1.185 1.00 0.00 O ATOM 525 CB GLU A 82 -10.577 9.275 -1.469 1.00 0.00 C ATOM 526 CG GLU A 82 -12.079 9.505 -1.647 1.00 0.00 C ATOM 527 CD GLU A 82 -12.883 8.711 -0.614 1.00 0.00 C ATOM 528 OE1 GLU A 82 -13.027 7.488 -0.826 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.333 9.346 0.364 1.00 0.00 O ATOM 0 H GLU A 82 -10.427 11.756 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.792 9.783 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.041 9.659 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.373 8.206 -1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.302 10.567 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.379 9.209 -2.652 1.00 0.00 H new ATOM 536 N ALA A 83 -7.677 9.761 -0.474 1.00 0.00 N ATOM 537 CA ALA A 83 -6.348 9.241 -0.202 1.00 0.00 C ATOM 538 C ALA A 83 -5.935 9.626 1.219 1.00 0.00 C ATOM 539 O ALA A 83 -5.445 8.789 1.975 1.00 0.00 O ATOM 540 CB ALA A 83 -5.370 9.764 -1.257 1.00 0.00 C ATOM 0 H ALA A 83 -7.723 10.435 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.341 8.153 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.373 9.374 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.692 9.437 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.348 10.853 -1.224 1.00 0.00 H new ATOM 546 N LYS A 84 -6.146 10.895 1.540 1.00 0.00 N ATOM 547 CA LYS A 84 -5.793 11.404 2.854 1.00 0.00 C ATOM 548 C LYS A 84 -6.500 10.571 3.926 1.00 0.00 C ATOM 549 O LYS A 84 -5.853 10.028 4.820 1.00 0.00 O ATOM 550 CB LYS A 84 -6.089 12.903 2.945 1.00 0.00 C ATOM 551 CG LYS A 84 -5.923 13.408 4.379 1.00 0.00 C ATOM 552 CD LYS A 84 -6.098 14.926 4.451 1.00 0.00 C ATOM 553 CE LYS A 84 -7.564 15.318 4.254 1.00 0.00 C ATOM 554 NZ LYS A 84 -8.284 15.301 5.547 1.00 0.00 N ATOM 0 H LYS A 84 -6.557 11.585 0.912 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.722 11.303 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.418 13.451 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.105 13.098 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.654 12.923 5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.936 13.134 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.747 15.291 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.484 15.403 3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.624 16.312 3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.040 14.629 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.277 15.569 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.242 14.345 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.839 15.976 6.201 1.00 0.00 H new ATOM 568 N ASP A 85 -7.816 10.496 3.798 1.00 0.00 N ATOM 569 CA ASP A 85 -8.622 9.768 4.765 1.00 0.00 C ATOM 570 C ASP A 85 -8.105 8.332 4.872 1.00 0.00 C ATOM 571 O ASP A 85 -7.910 7.818 5.973 1.00 0.00 O ATOM 572 CB ASP A 85 -10.086 9.713 4.331 1.00 0.00 C ATOM 573 CG ASP A 85 -10.770 11.075 4.186 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.048 12.087 4.306 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.999 11.071 3.959 1.00 0.00 O ATOM 0 H ASP A 85 -8.345 10.927 3.040 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.550 10.284 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.147 9.189 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.642 9.119 5.057 1.00 0.00 H new ATOM 580 N LEU A 86 -7.900 7.722 3.714 1.00 0.00 N ATOM 581 CA LEU A 86 -7.444 6.344 3.664 1.00 0.00 C ATOM 582 C LEU A 86 -6.239 6.174 4.590 1.00 0.00 C ATOM 583 O LEU A 86 -6.278 5.378 5.528 1.00 0.00 O ATOM 584 CB LEU A 86 -7.173 5.921 2.218 1.00 0.00 C ATOM 585 CG LEU A 86 -6.664 4.491 2.022 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.115 3.929 0.672 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.146 4.422 2.194 1.00 0.00 C ATOM 0 H LEU A 86 -8.042 8.157 2.803 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.222 5.673 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.094 6.039 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.442 6.608 1.790 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.104 3.862 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.740 2.912 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.204 3.922 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.723 4.553 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.810 3.395 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.667 5.068 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.878 4.754 3.197 1.00 0.00 H new ATOM 599 N VAL A 87 -5.196 6.937 4.297 1.00 0.00 N ATOM 600 CA VAL A 87 -3.960 6.839 5.054 1.00 0.00 C ATOM 601 C VAL A 87 -4.244 7.148 6.525 1.00 0.00 C ATOM 602 O VAL A 87 -3.695 6.501 7.416 1.00 0.00 O ATOM 603 CB VAL A 87 -2.899 7.757 4.444 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.685 7.882 5.369 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.481 7.266 3.057 1.00 0.00 C ATOM 0 H VAL A 87 -5.182 7.626 3.545 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.560 5.826 5.005 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.339 8.748 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.946 8.540 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.998 8.298 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.246 6.897 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.726 7.936 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.069 6.260 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.350 7.251 2.399 1.00 0.00 H new ATOM 615 N GLU A 88 -5.101 8.136 6.736 1.00 0.00 N ATOM 616 CA GLU A 88 -5.400 8.595 8.081 1.00 0.00 C ATOM 617 C GLU A 88 -6.256 7.562 8.817 1.00 0.00 C ATOM 618 O GLU A 88 -6.399 7.624 10.036 1.00 0.00 O ATOM 619 CB GLU A 88 -6.089 9.960 8.054 1.00 0.00 C ATOM 620 CG GLU A 88 -5.125 11.053 7.586 1.00 0.00 C ATOM 621 CD GLU A 88 -4.601 11.865 8.772 1.00 0.00 C ATOM 622 OE1 GLU A 88 -3.968 11.242 9.652 1.00 0.00 O ATOM 623 OE2 GLU A 88 -4.846 13.092 8.773 1.00 0.00 O ATOM 0 H GLU A 88 -5.598 8.632 5.996 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.461 8.710 8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.952 9.922 7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.463 10.202 9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.289 10.601 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.632 11.714 6.883 1.00 0.00 H new ATOM 630 N SER A 89 -6.803 6.635 8.043 1.00 0.00 N ATOM 631 CA SER A 89 -7.678 5.618 8.600 1.00 0.00 C ATOM 632 C SER A 89 -6.961 4.266 8.624 1.00 0.00 C ATOM 633 O SER A 89 -7.603 3.220 8.703 1.00 0.00 O ATOM 634 CB SER A 89 -8.979 5.513 7.801 1.00 0.00 C ATOM 635 OG SER A 89 -8.778 4.904 6.529 1.00 0.00 O ATOM 0 H SER A 89 -6.657 6.568 7.036 1.00 0.00 H new ATOM 0 HA SER A 89 -7.931 5.907 9.620 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.707 4.934 8.369 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.401 6.509 7.663 1.00 0.00 H new ATOM 0 HG SER A 89 -7.841 5.006 6.262 1.00 0.00 H new ATOM 641 N ALA A 90 -5.640 4.333 8.553 1.00 0.00 N ATOM 642 CA ALA A 90 -4.827 3.129 8.589 1.00 0.00 C ATOM 643 C ALA A 90 -5.212 2.295 9.812 1.00 0.00 C ATOM 644 O ALA A 90 -5.654 2.837 10.824 1.00 0.00 O ATOM 645 CB ALA A 90 -3.345 3.512 8.587 1.00 0.00 C ATOM 0 H ALA A 90 -5.112 5.202 8.471 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.007 2.519 7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.736 2.609 8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.116 4.077 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.126 4.124 9.462 1.00 0.00 H new ATOM 651 N PRO A 91 -5.027 0.954 9.675 1.00 0.00 N ATOM 652 CA PRO A 91 -4.502 0.393 8.443 1.00 0.00 C ATOM 653 C PRO A 91 -5.566 0.393 7.343 1.00 0.00 C ATOM 654 O PRO A 91 -6.762 0.456 7.632 1.00 0.00 O ATOM 655 CB PRO A 91 -4.031 -1.003 8.814 1.00 0.00 C ATOM 656 CG PRO A 91 -4.729 -1.343 10.121 1.00 0.00 C ATOM 657 CD PRO A 91 -5.309 -0.060 10.688 1.00 0.00 C ATOM 0 HA PRO A 91 -3.680 0.979 8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.287 -1.722 8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.948 -1.032 8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.518 -2.076 9.953 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.025 -1.787 10.825 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.380 -0.155 10.866 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.848 0.195 11.642 1.00 0.00 H new ATOM 665 N ALA A 92 -5.096 0.319 6.107 1.00 0.00 N ATOM 666 CA ALA A 92 -5.991 0.352 4.962 1.00 0.00 C ATOM 667 C ALA A 92 -5.506 -0.650 3.913 1.00 0.00 C ATOM 668 O ALA A 92 -4.354 -1.080 3.945 1.00 0.00 O ATOM 669 CB ALA A 92 -6.066 1.779 4.414 1.00 0.00 C ATOM 0 H ALA A 92 -4.107 0.236 5.873 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.000 0.061 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.737 1.804 3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.443 2.447 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.072 2.104 4.107 1.00 0.00 H new ATOM 675 N ALA A 93 -6.411 -0.995 3.007 1.00 0.00 N ATOM 676 CA ALA A 93 -6.078 -1.906 1.927 1.00 0.00 C ATOM 677 C ALA A 93 -5.629 -1.101 0.705 1.00 0.00 C ATOM 678 O ALA A 93 -6.427 -0.382 0.105 1.00 0.00 O ATOM 679 CB ALA A 93 -7.281 -2.801 1.626 1.00 0.00 C ATOM 0 H ALA A 93 -7.374 -0.659 3.000 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.251 -2.556 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.032 -3.485 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.541 -3.373 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.129 -2.183 1.331 1.00 0.00 H new ATOM 685 N LEU A 94 -4.355 -1.249 0.373 1.00 0.00 N ATOM 686 CA LEU A 94 -3.802 -0.578 -0.790 1.00 0.00 C ATOM 687 C LEU A 94 -4.116 -1.399 -2.043 1.00 0.00 C ATOM 688 O LEU A 94 -4.551 -0.852 -3.056 1.00 0.00 O ATOM 689 CB LEU A 94 -2.311 -0.303 -0.593 1.00 0.00 C ATOM 690 CG LEU A 94 -1.948 1.091 -0.081 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.431 1.251 0.047 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.566 2.178 -0.963 1.00 0.00 C ATOM 0 H LEU A 94 -3.690 -1.824 0.890 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.267 0.399 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.915 -1.040 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.804 -0.462 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.370 1.208 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.200 2.251 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.045 0.510 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.034 1.105 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.292 3.160 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.196 2.073 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.651 2.076 -0.959 1.00 0.00 H new ATOM 704 N LYS A 95 -3.884 -2.699 -1.934 1.00 0.00 N ATOM 705 CA LYS A 95 -4.148 -3.602 -3.040 1.00 0.00 C ATOM 706 C LYS A 95 -4.632 -4.946 -2.493 1.00 0.00 C ATOM 707 O LYS A 95 -4.229 -5.360 -1.408 1.00 0.00 O ATOM 708 CB LYS A 95 -2.917 -3.714 -3.945 1.00 0.00 C ATOM 709 CG LYS A 95 -2.003 -2.500 -3.780 1.00 0.00 C ATOM 710 CD LYS A 95 -0.737 -2.647 -4.627 1.00 0.00 C ATOM 711 CE LYS A 95 -1.071 -2.616 -6.121 1.00 0.00 C ATOM 712 NZ LYS A 95 0.091 -2.138 -6.903 1.00 0.00 N ATOM 0 H LYS A 95 -3.516 -3.148 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.946 -3.209 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.366 -4.623 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.232 -3.798 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.537 -1.596 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.731 -2.385 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.041 -1.843 -4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.237 -3.584 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.357 -3.613 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.927 -1.964 -6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.153 -2.123 -7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.346 -1.178 -6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.898 -2.776 -6.751 1.00 0.00 H new ATOM 726 N GLU A 96 -5.491 -5.590 -3.269 1.00 0.00 N ATOM 727 CA GLU A 96 -6.040 -6.875 -2.873 1.00 0.00 C ATOM 728 C GLU A 96 -5.774 -7.923 -3.956 1.00 0.00 C ATOM 729 O GLU A 96 -6.087 -7.704 -5.126 1.00 0.00 O ATOM 730 CB GLU A 96 -7.535 -6.765 -2.572 1.00 0.00 C ATOM 731 CG GLU A 96 -7.793 -5.794 -1.419 1.00 0.00 C ATOM 732 CD GLU A 96 -9.251 -5.866 -0.955 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.127 -5.568 -1.793 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.453 -6.219 0.227 1.00 0.00 O ATOM 0 H GLU A 96 -5.820 -5.245 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.542 -7.193 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.065 -6.426 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.932 -7.748 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.131 -6.029 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.558 -4.778 -1.736 1.00 0.00 H new ATOM 741 N GLY A 97 -5.200 -9.037 -3.529 1.00 0.00 N ATOM 742 CA GLY A 97 -4.890 -10.120 -4.447 1.00 0.00 C ATOM 743 C GLY A 97 -4.337 -9.578 -5.767 1.00 0.00 C ATOM 744 O GLY A 97 -5.059 -9.498 -6.760 1.00 0.00 O ATOM 0 H GLY A 97 -4.941 -9.214 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.161 -10.791 -3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.788 -10.708 -4.639 1.00 0.00 H new ATOM 748 N VAL A 98 -3.062 -9.220 -5.735 1.00 0.00 N ATOM 749 CA VAL A 98 -2.404 -8.693 -6.917 1.00 0.00 C ATOM 750 C VAL A 98 -1.124 -9.489 -7.181 1.00 0.00 C ATOM 751 O VAL A 98 -0.708 -10.295 -6.349 1.00 0.00 O ATOM 752 CB VAL A 98 -2.151 -7.193 -6.752 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.469 -6.427 -6.619 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.234 -6.920 -5.557 1.00 0.00 C ATOM 0 H VAL A 98 -2.467 -9.285 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.044 -8.806 -7.792 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.646 -6.837 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.261 -5.363 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.073 -6.584 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.013 -6.788 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.070 -5.847 -5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.700 -7.298 -4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.278 -7.421 -5.710 1.00 0.00 H new ATOM 764 N SER A 99 -0.535 -9.236 -8.340 1.00 0.00 N ATOM 765 CA SER A 99 0.688 -9.920 -8.724 1.00 0.00 C ATOM 766 C SER A 99 1.793 -9.623 -7.708 1.00 0.00 C ATOM 767 O SER A 99 1.913 -8.498 -7.225 1.00 0.00 O ATOM 768 CB SER A 99 1.133 -9.506 -10.128 1.00 0.00 C ATOM 769 OG SER A 99 1.422 -8.113 -10.208 1.00 0.00 O ATOM 0 H SER A 99 -0.882 -8.566 -9.026 1.00 0.00 H new ATOM 0 HA SER A 99 0.492 -10.992 -8.736 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.018 -10.076 -10.411 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.350 -9.756 -10.845 1.00 0.00 H new ATOM 0 HG SER A 99 0.584 -7.608 -10.270 1.00 0.00 H new ATOM 775 N LYS A 100 2.573 -10.653 -7.412 1.00 0.00 N ATOM 776 CA LYS A 100 3.660 -10.520 -6.457 1.00 0.00 C ATOM 777 C LYS A 100 4.557 -9.352 -6.873 1.00 0.00 C ATOM 778 O LYS A 100 4.950 -8.538 -6.038 1.00 0.00 O ATOM 779 CB LYS A 100 4.407 -11.846 -6.307 1.00 0.00 C ATOM 780 CG LYS A 100 5.365 -11.804 -5.114 1.00 0.00 C ATOM 781 CD LYS A 100 6.807 -12.059 -5.560 1.00 0.00 C ATOM 782 CE LYS A 100 7.756 -12.073 -4.361 1.00 0.00 C ATOM 783 NZ LYS A 100 9.154 -11.866 -4.804 1.00 0.00 N ATOM 0 H LYS A 100 2.473 -11.584 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 100 3.271 -10.287 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.692 -12.658 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.965 -12.058 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.298 -10.833 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.070 -12.553 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.866 -13.012 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.116 -11.286 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.472 -11.292 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.672 -13.024 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.779 -11.827 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.443 -12.653 -5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.222 -10.972 -5.331 1.00 0.00 H new ATOM 797 N ASP A 101 4.856 -9.307 -8.163 1.00 0.00 N ATOM 798 CA ASP A 101 5.750 -8.290 -8.689 1.00 0.00 C ATOM 799 C ASP A 101 5.230 -6.906 -8.294 1.00 0.00 C ATOM 800 O ASP A 101 6.004 -6.040 -7.888 1.00 0.00 O ATOM 801 CB ASP A 101 5.817 -8.352 -10.217 1.00 0.00 C ATOM 802 CG ASP A 101 6.551 -9.568 -10.783 1.00 0.00 C ATOM 803 OD1 ASP A 101 6.397 -10.654 -10.183 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.250 -9.386 -11.804 1.00 0.00 O ATOM 0 H ASP A 101 4.495 -9.959 -8.859 1.00 0.00 H new ATOM 0 HA ASP A 101 6.743 -8.468 -8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.801 -8.344 -10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.307 -7.449 -10.581 1.00 0.00 H new ATOM 809 N ASP A 102 3.921 -6.741 -8.425 1.00 0.00 N ATOM 810 CA ASP A 102 3.293 -5.468 -8.117 1.00 0.00 C ATOM 811 C ASP A 102 3.388 -5.208 -6.613 1.00 0.00 C ATOM 812 O ASP A 102 3.559 -4.068 -6.186 1.00 0.00 O ATOM 813 CB ASP A 102 1.812 -5.477 -8.503 1.00 0.00 C ATOM 814 CG ASP A 102 1.531 -5.259 -9.991 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.420 -4.691 -10.661 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.430 -5.665 -10.425 1.00 0.00 O ATOM 0 H ASP A 102 3.279 -7.468 -8.740 1.00 0.00 H new ATOM 0 HA ASP A 102 3.809 -4.692 -8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.379 -6.431 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.299 -4.702 -7.934 1.00 0.00 H new ATOM 821 N ALA A 103 3.272 -6.286 -5.851 1.00 0.00 N ATOM 822 CA ALA A 103 3.321 -6.186 -4.401 1.00 0.00 C ATOM 823 C ALA A 103 4.700 -5.680 -3.975 1.00 0.00 C ATOM 824 O ALA A 103 4.805 -4.754 -3.173 1.00 0.00 O ATOM 825 CB ALA A 103 2.982 -7.544 -3.786 1.00 0.00 C ATOM 0 H ALA A 103 3.144 -7.232 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 103 2.583 -5.470 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.018 -7.470 -2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.981 -7.844 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.705 -8.287 -4.124 1.00 0.00 H new ATOM 831 N GLU A 104 5.724 -6.310 -4.530 1.00 0.00 N ATOM 832 CA GLU A 104 7.093 -5.966 -4.183 1.00 0.00 C ATOM 833 C GLU A 104 7.442 -4.573 -4.710 1.00 0.00 C ATOM 834 O GLU A 104 8.281 -3.881 -4.138 1.00 0.00 O ATOM 835 CB GLU A 104 8.073 -7.015 -4.713 1.00 0.00 C ATOM 836 CG GLU A 104 7.905 -8.345 -3.974 1.00 0.00 C ATOM 837 CD GLU A 104 8.618 -8.314 -2.621 1.00 0.00 C ATOM 838 OE1 GLU A 104 9.818 -8.666 -2.604 1.00 0.00 O ATOM 839 OE2 GLU A 104 7.948 -7.939 -1.635 1.00 0.00 O ATOM 0 H GLU A 104 5.634 -7.057 -5.218 1.00 0.00 H new ATOM 0 HA GLU A 104 7.179 -5.953 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.909 -7.165 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.095 -6.656 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.845 -8.551 -3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.306 -9.156 -4.582 1.00 0.00 H new ATOM 846 N ALA A 105 6.779 -4.203 -5.797 1.00 0.00 N ATOM 847 CA ALA A 105 7.011 -2.908 -6.412 1.00 0.00 C ATOM 848 C ALA A 105 6.510 -1.807 -5.475 1.00 0.00 C ATOM 849 O ALA A 105 7.236 -0.860 -5.179 1.00 0.00 O ATOM 850 CB ALA A 105 6.332 -2.863 -7.781 1.00 0.00 C ATOM 0 H ALA A 105 6.081 -4.779 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 105 8.077 -2.745 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.507 -1.891 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.744 -3.646 -8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.260 -3.020 -7.661 1.00 0.00 H new ATOM 856 N LEU A 106 5.270 -1.968 -5.036 1.00 0.00 N ATOM 857 CA LEU A 106 4.656 -0.990 -4.154 1.00 0.00 C ATOM 858 C LEU A 106 5.401 -0.976 -2.818 1.00 0.00 C ATOM 859 O LEU A 106 5.738 0.089 -2.301 1.00 0.00 O ATOM 860 CB LEU A 106 3.156 -1.256 -4.019 1.00 0.00 C ATOM 861 CG LEU A 106 2.389 -0.318 -3.087 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.727 -0.601 -1.622 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.636 1.147 -3.458 1.00 0.00 C ATOM 0 H LEU A 106 4.674 -2.761 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 106 4.741 0.011 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.706 -1.198 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.019 -2.278 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 106 1.323 -0.509 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.167 0.081 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.460 -1.629 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.795 -0.456 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.079 1.793 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.700 1.368 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.305 1.324 -4.481 1.00 0.00 H new ATOM 875 N LYS A 107 5.635 -2.171 -2.295 1.00 0.00 N ATOM 876 CA LYS A 107 6.308 -2.309 -1.013 1.00 0.00 C ATOM 877 C LYS A 107 7.629 -1.537 -1.050 1.00 0.00 C ATOM 878 O LYS A 107 7.915 -0.746 -0.153 1.00 0.00 O ATOM 879 CB LYS A 107 6.469 -3.786 -0.649 1.00 0.00 C ATOM 880 CG LYS A 107 7.159 -3.944 0.706 1.00 0.00 C ATOM 881 CD LYS A 107 7.415 -5.419 1.023 1.00 0.00 C ATOM 882 CE LYS A 107 8.567 -5.575 2.017 1.00 0.00 C ATOM 883 NZ LYS A 107 8.565 -6.935 2.604 1.00 0.00 N ATOM 0 H LYS A 107 5.371 -3.052 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 107 5.705 -1.872 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.491 -4.266 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.051 -4.293 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.104 -3.400 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.540 -3.503 1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.511 -5.868 1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.648 -5.957 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.516 -5.391 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.476 -4.831 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.353 -7.024 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.666 -7.097 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.674 -7.640 1.847 1.00 0.00 H new ATOM 897 N LYS A 108 8.399 -1.794 -2.098 1.00 0.00 N ATOM 898 CA LYS A 108 9.700 -1.165 -2.243 1.00 0.00 C ATOM 899 C LYS A 108 9.542 0.354 -2.141 1.00 0.00 C ATOM 900 O LYS A 108 10.373 1.028 -1.534 1.00 0.00 O ATOM 901 CB LYS A 108 10.379 -1.628 -3.532 1.00 0.00 C ATOM 902 CG LYS A 108 10.970 -3.030 -3.368 1.00 0.00 C ATOM 903 CD LYS A 108 12.386 -2.964 -2.793 1.00 0.00 C ATOM 904 CE LYS A 108 12.917 -4.363 -2.476 1.00 0.00 C ATOM 905 NZ LYS A 108 13.817 -4.324 -1.303 1.00 0.00 N ATOM 0 H LYS A 108 8.146 -2.430 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 108 10.363 -1.472 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.657 -1.627 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.168 -0.927 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.334 -3.622 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.989 -3.536 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.049 -2.473 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.386 -2.358 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.084 -5.038 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.452 -4.759 -3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.168 -5.282 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.621 -3.696 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.296 -3.966 -0.477 1.00 0.00 H new ATOM 919 N ALA A 109 8.471 0.847 -2.745 1.00 0.00 N ATOM 920 CA ALA A 109 8.226 2.278 -2.782 1.00 0.00 C ATOM 921 C ALA A 109 7.975 2.785 -1.360 1.00 0.00 C ATOM 922 O ALA A 109 8.478 3.840 -0.976 1.00 0.00 O ATOM 923 CB ALA A 109 7.054 2.572 -3.720 1.00 0.00 C ATOM 0 H ALA A 109 7.763 0.281 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 109 9.096 2.806 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.870 3.646 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.293 2.219 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.162 2.061 -3.359 1.00 0.00 H new ATOM 929 N LEU A 110 7.199 2.009 -0.618 1.00 0.00 N ATOM 930 CA LEU A 110 6.884 2.360 0.757 1.00 0.00 C ATOM 931 C LEU A 110 8.172 2.376 1.582 1.00 0.00 C ATOM 932 O LEU A 110 8.402 3.299 2.362 1.00 0.00 O ATOM 933 CB LEU A 110 5.806 1.429 1.314 1.00 0.00 C ATOM 934 CG LEU A 110 4.359 1.811 0.996 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.775 2.707 2.090 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.253 2.454 -0.388 1.00 0.00 C ATOM 0 H LEU A 110 6.779 1.138 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 110 6.461 3.363 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.988 0.425 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.919 1.382 2.397 1.00 0.00 H new ATOM 0 HG LEU A 110 3.762 0.899 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.746 2.964 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.795 2.178 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.367 3.619 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.214 2.716 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.867 3.354 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.603 1.751 -1.144 1.00 0.00 H new ATOM 948 N GLU A 111 8.977 1.343 1.382 1.00 0.00 N ATOM 949 CA GLU A 111 10.207 1.194 2.143 1.00 0.00 C ATOM 950 C GLU A 111 11.175 2.331 1.811 1.00 0.00 C ATOM 951 O GLU A 111 11.846 2.859 2.697 1.00 0.00 O ATOM 952 CB GLU A 111 10.851 -0.168 1.882 1.00 0.00 C ATOM 953 CG GLU A 111 10.021 -1.295 2.502 1.00 0.00 C ATOM 954 CD GLU A 111 10.690 -2.653 2.284 1.00 0.00 C ATOM 955 OE1 GLU A 111 10.976 -2.962 1.106 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.901 -3.351 3.298 1.00 0.00 O ATOM 0 H GLU A 111 8.802 0.601 0.704 1.00 0.00 H new ATOM 0 HA GLU A 111 9.965 1.246 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.946 -0.330 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.859 -0.183 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.896 -1.114 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.024 -1.302 2.061 1.00 0.00 H new ATOM 963 N GLU A 112 11.219 2.675 0.532 1.00 0.00 N ATOM 964 CA GLU A 112 12.101 3.733 0.072 1.00 0.00 C ATOM 965 C GLU A 112 11.807 5.035 0.823 1.00 0.00 C ATOM 966 O GLU A 112 12.725 5.781 1.160 1.00 0.00 O ATOM 967 CB GLU A 112 11.975 3.934 -1.440 1.00 0.00 C ATOM 968 CG GLU A 112 12.879 2.962 -2.199 1.00 0.00 C ATOM 969 CD GLU A 112 12.692 3.106 -3.712 1.00 0.00 C ATOM 970 OE1 GLU A 112 11.567 3.473 -4.112 1.00 0.00 O ATOM 971 OE2 GLU A 112 13.679 2.846 -4.432 1.00 0.00 O ATOM 0 H GLU A 112 10.658 2.239 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 112 13.129 3.438 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.939 3.786 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.240 4.959 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.921 3.150 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.654 1.939 -1.897 1.00 0.00 H new ATOM 978 N ALA A 113 10.524 5.264 1.064 1.00 0.00 N ATOM 979 CA ALA A 113 10.095 6.480 1.733 1.00 0.00 C ATOM 980 C ALA A 113 10.244 6.304 3.247 1.00 0.00 C ATOM 981 O ALA A 113 10.441 7.277 3.971 1.00 0.00 O ATOM 982 CB ALA A 113 8.659 6.809 1.323 1.00 0.00 C ATOM 0 H ALA A 113 9.769 4.628 0.808 1.00 0.00 H new ATOM 0 HA ALA A 113 10.720 7.322 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.337 7.721 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.613 6.953 0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.002 5.987 1.608 1.00 0.00 H new ATOM 988 N GLY A 114 10.144 5.055 3.677 1.00 0.00 N ATOM 989 CA GLY A 114 10.265 4.739 5.090 1.00 0.00 C ATOM 990 C GLY A 114 8.889 4.545 5.730 1.00 0.00 C ATOM 991 O GLY A 114 8.530 5.256 6.667 1.00 0.00 O ATOM 0 H GLY A 114 9.981 4.250 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.858 3.833 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.798 5.541 5.601 1.00 0.00 H new ATOM 995 N ALA A 115 8.157 3.577 5.198 1.00 0.00 N ATOM 996 CA ALA A 115 6.817 3.300 5.688 1.00 0.00 C ATOM 997 C ALA A 115 6.693 1.806 6.000 1.00 0.00 C ATOM 998 O ALA A 115 7.524 1.008 5.574 1.00 0.00 O ATOM 999 CB ALA A 115 5.789 3.766 4.654 1.00 0.00 C ATOM 0 H ALA A 115 8.466 2.976 4.434 1.00 0.00 H new ATOM 0 HA ALA A 115 6.624 3.848 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.784 3.558 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.900 4.837 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.950 3.234 3.716 1.00 0.00 H new ATOM 1005 N GLU A 116 5.646 1.475 6.744 1.00 0.00 N ATOM 1006 CA GLU A 116 5.416 0.097 7.139 1.00 0.00 C ATOM 1007 C GLU A 116 4.311 -0.524 6.283 1.00 0.00 C ATOM 1008 O GLU A 116 3.186 -0.029 6.261 1.00 0.00 O ATOM 1009 CB GLU A 116 5.075 0.004 8.628 1.00 0.00 C ATOM 1010 CG GLU A 116 5.001 -1.455 9.083 1.00 0.00 C ATOM 1011 CD GLU A 116 6.383 -2.110 9.049 1.00 0.00 C ATOM 1012 OE1 GLU A 116 7.155 -1.856 9.998 1.00 0.00 O ATOM 1013 OE2 GLU A 116 6.636 -2.852 8.074 1.00 0.00 O ATOM 0 H GLU A 116 4.949 2.138 7.083 1.00 0.00 H new ATOM 0 HA GLU A 116 6.335 -0.466 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.829 0.533 9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.122 0.497 8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.596 -1.504 10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.317 -2.007 8.438 1.00 0.00 H new ATOM 1020 N VAL A 117 4.671 -1.601 5.598 1.00 0.00 N ATOM 1021 CA VAL A 117 3.727 -2.288 4.735 1.00 0.00 C ATOM 1022 C VAL A 117 3.388 -3.652 5.339 1.00 0.00 C ATOM 1023 O VAL A 117 4.106 -4.145 6.207 1.00 0.00 O ATOM 1024 CB VAL A 117 4.290 -2.386 3.316 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.270 -3.011 2.361 1.00 0.00 C ATOM 1026 CG2 VAL A 117 4.745 -1.015 2.810 1.00 0.00 C ATOM 0 H VAL A 117 5.604 -2.014 5.624 1.00 0.00 H new ATOM 0 HA VAL A 117 2.797 -1.725 4.663 1.00 0.00 H new ATOM 0 HB VAL A 117 5.162 -3.039 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.697 -3.068 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.016 -4.014 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.370 -2.397 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.141 -1.113 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 117 3.897 -0.330 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.522 -0.624 3.467 1.00 0.00 H new ATOM 1036 N GLU A 118 2.294 -4.223 4.857 1.00 0.00 N ATOM 1037 CA GLU A 118 1.886 -5.548 5.293 1.00 0.00 C ATOM 1038 C GLU A 118 1.581 -6.434 4.084 1.00 0.00 C ATOM 1039 O GLU A 118 0.851 -6.028 3.181 1.00 0.00 O ATOM 1040 CB GLU A 118 0.682 -5.469 6.234 1.00 0.00 C ATOM 1041 CG GLU A 118 0.093 -6.858 6.487 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.750 -6.871 7.764 1.00 0.00 C ATOM 1043 OE1 GLU A 118 -1.267 -5.788 8.114 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -0.857 -7.963 8.363 1.00 0.00 O ATOM 0 H GLU A 118 1.677 -3.792 4.168 1.00 0.00 H new ATOM 0 HA GLU A 118 2.710 -5.997 5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 118 0.984 -5.020 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.080 -4.820 5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.522 -7.157 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.898 -7.589 6.570 1.00 0.00 H new ATOM 1051 N VAL A 119 2.155 -7.628 4.106 1.00 0.00 N ATOM 1052 CA VAL A 119 1.929 -8.586 3.037 1.00 0.00 C ATOM 1053 C VAL A 119 1.257 -9.835 3.611 1.00 0.00 C ATOM 1054 O VAL A 119 1.863 -10.566 4.391 1.00 0.00 O ATOM 1055 CB VAL A 119 3.247 -8.891 2.321 1.00 0.00 C ATOM 1056 CG1 VAL A 119 3.008 -9.749 1.077 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.989 -7.602 1.966 1.00 0.00 C ATOM 0 H VAL A 119 2.776 -7.954 4.847 1.00 0.00 H new ATOM 0 HA VAL A 119 1.256 -8.171 2.287 1.00 0.00 H new ATOM 0 HB VAL A 119 3.877 -9.461 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.960 -9.952 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.542 -10.690 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.351 -9.217 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.922 -7.847 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.367 -6.993 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.207 -7.045 2.877 1.00 0.00 H new ATOM 1067 N LYS A 120 0.013 -10.039 3.203 1.00 0.00 N ATOM 1068 CA LYS A 120 -0.749 -11.186 3.667 1.00 0.00 C ATOM 1069 C LYS A 120 -1.505 -11.802 2.490 1.00 0.00 C ATOM 1070 O LYS A 120 -1.543 -11.227 1.402 1.00 0.00 O ATOM 1071 CB LYS A 120 -1.650 -10.791 4.839 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.739 -9.814 4.387 1.00 0.00 C ATOM 1073 CD LYS A 120 -3.997 -10.562 3.943 1.00 0.00 C ATOM 1074 CE LYS A 120 -5.202 -9.621 3.886 1.00 0.00 C ATOM 1075 NZ LYS A 120 -6.410 -10.352 3.443 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.074 -12.933 2.737 1.00 0.00 O ATOM 0 H LYS A 120 -0.486 -9.429 2.556 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.081 -11.956 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.110 -11.682 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -1.050 -10.334 5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.985 -9.135 5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.366 -9.203 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -3.832 -11.008 2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -4.202 -11.379 4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -5.375 -9.182 4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -4.996 -8.798 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -7.258 -9.798 3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -6.369 -10.500 2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.454 -11.273 3.923 1.00 0.00 H new