USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot -82:sc= 0.12 USER MOD Set 1.2: A 34 THR OG1 : rot 8:sc= 0.902 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -7.44! C(o=-7.4!,f=-5.5!) USER MOD Single : A 24 SER OG : rot 47:sc= 0.109 USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= -3.3! (180deg=-5.74!) USER MOD Single : A 29 LYS NZ :NH3+ -109:sc= -0.0162 (180deg=-1.23) USER MOD Single : A 33 GLN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 103:sc= 0.785 USER MOD Single : A 45 THR OG1 : rot -123:sc= -5.54! USER MOD Single : A 55 LYS NZ :NH3+ -154:sc= -2.69 (180deg=-3.94!) USER MOD Single : A 56 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.0089) USER MOD Single : A 62 SER OG : rot 180:sc= 0.159 USER MOD Single : A 67 GLN : amide:sc= -15.9! C(o=-16!,f=-13!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc=-0.00111 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 4 -16.736 1.312 -0.591 1.00 0.00 N ATOM 66 CA GLU A 4 -15.455 2.082 -0.667 1.00 0.00 C ATOM 67 C GLU A 4 -14.636 1.851 0.596 1.00 0.00 C ATOM 68 O GLU A 4 -13.759 2.619 0.913 1.00 0.00 O ATOM 69 CB GLU A 4 -15.770 3.570 -0.812 1.00 0.00 C ATOM 70 CG GLU A 4 -16.539 3.799 -2.113 1.00 0.00 C ATOM 71 CD GLU A 4 -17.476 4.996 -1.949 1.00 0.00 C ATOM 72 OE1 GLU A 4 -18.251 4.991 -1.007 1.00 0.00 O ATOM 73 OE2 GLU A 4 -17.401 5.898 -2.766 1.00 0.00 O ATOM 0 HA GLU A 4 -14.879 1.744 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.360 3.913 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.847 4.150 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.843 3.978 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.112 2.908 -2.371 1.00 0.00 H new ATOM 80 N GLU A 5 -14.896 0.792 1.311 1.00 0.00 N ATOM 81 CA GLU A 5 -14.126 0.507 2.542 1.00 0.00 C ATOM 82 C GLU A 5 -12.611 0.504 2.239 1.00 0.00 C ATOM 83 O GLU A 5 -11.795 0.477 3.139 1.00 0.00 O ATOM 84 CB GLU A 5 -14.608 -0.853 3.082 1.00 0.00 C ATOM 85 CG GLU A 5 -13.525 -1.931 2.961 1.00 0.00 C ATOM 86 CD GLU A 5 -12.546 -1.804 4.127 1.00 0.00 C ATOM 87 OE1 GLU A 5 -12.734 -0.913 4.937 1.00 0.00 O ATOM 88 OE2 GLU A 5 -11.625 -2.601 4.189 1.00 0.00 O ATOM 0 H GLU A 5 -15.618 0.107 1.088 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.290 1.277 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.899 -0.746 4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.496 -1.167 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.981 -2.921 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.995 -1.824 2.014 1.00 0.00 H new ATOM 95 N LEU A 6 -12.231 0.542 0.985 1.00 0.00 N ATOM 96 CA LEU A 6 -10.781 0.550 0.642 1.00 0.00 C ATOM 97 C LEU A 6 -10.191 1.886 1.020 1.00 0.00 C ATOM 98 O LEU A 6 -9.112 1.972 1.569 1.00 0.00 O ATOM 99 CB LEU A 6 -10.597 0.301 -0.854 1.00 0.00 C ATOM 100 CG LEU A 6 -10.686 -1.198 -1.133 1.00 0.00 C ATOM 101 CD1 LEU A 6 -9.498 -1.911 -0.484 1.00 0.00 C ATOM 102 CD2 LEU A 6 -11.987 -1.747 -0.546 1.00 0.00 C ATOM 0 H LEU A 6 -12.865 0.568 0.186 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.272 -0.241 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -11.362 0.833 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.632 0.687 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.669 -1.368 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.562 -2.981 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.569 -1.520 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.516 -1.741 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.053 -2.817 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.001 -1.576 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.836 -1.240 -1.005 1.00 0.00 H new ATOM 114 N LYS A 7 -10.884 2.931 0.754 1.00 0.00 N ATOM 115 CA LYS A 7 -10.362 4.246 1.131 1.00 0.00 C ATOM 116 C LYS A 7 -10.159 4.294 2.652 1.00 0.00 C ATOM 117 O LYS A 7 -9.351 5.045 3.162 1.00 0.00 O ATOM 118 CB LYS A 7 -11.396 5.264 0.655 1.00 0.00 C ATOM 119 CG LYS A 7 -11.651 6.351 1.714 1.00 0.00 C ATOM 120 CD LYS A 7 -12.501 5.786 2.880 1.00 0.00 C ATOM 121 CE LYS A 7 -13.467 4.695 2.397 1.00 0.00 C ATOM 122 NZ LYS A 7 -14.595 4.570 3.362 1.00 0.00 N ATOM 0 H LYS A 7 -11.793 2.933 0.290 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.394 4.461 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.051 5.729 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.331 4.753 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.701 6.724 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.165 7.197 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.843 5.377 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.066 6.594 3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.847 4.943 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.943 3.743 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.250 3.831 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.223 4.314 4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.100 5.477 3.425 1.00 0.00 H new ATOM 136 N GLY A 8 -10.920 3.522 3.374 1.00 0.00 N ATOM 137 CA GLY A 8 -10.824 3.537 4.865 1.00 0.00 C ATOM 138 C GLY A 8 -9.563 2.822 5.352 1.00 0.00 C ATOM 139 O GLY A 8 -8.807 3.357 6.131 1.00 0.00 O ATOM 0 H GLY A 8 -11.611 2.875 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.819 4.568 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.704 3.056 5.292 1.00 0.00 H new ATOM 143 N ILE A 9 -9.335 1.615 4.921 1.00 0.00 N ATOM 144 CA ILE A 9 -8.131 0.880 5.392 1.00 0.00 C ATOM 145 C ILE A 9 -6.882 1.680 5.055 1.00 0.00 C ATOM 146 O ILE A 9 -6.249 2.267 5.907 1.00 0.00 O ATOM 147 CB ILE A 9 -8.086 -0.497 4.713 1.00 0.00 C ATOM 148 CG1 ILE A 9 -6.672 -1.094 4.781 1.00 0.00 C ATOM 149 CG2 ILE A 9 -8.550 -0.416 3.258 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.708 -2.353 5.648 1.00 0.00 C ATOM 0 H ILE A 9 -9.928 1.107 4.265 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.176 0.744 6.473 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.770 -1.150 5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.316 -1.336 3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.976 -0.367 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.506 -1.407 2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.575 -0.046 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.900 0.263 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.709 -2.785 5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.047 -2.094 6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.393 -3.078 5.209 1.00 0.00 H new ATOM 162 N PHE A 10 -6.535 1.691 3.817 1.00 0.00 N ATOM 163 CA PHE A 10 -5.324 2.437 3.366 1.00 0.00 C ATOM 164 C PHE A 10 -5.205 3.768 4.111 1.00 0.00 C ATOM 165 O PHE A 10 -4.366 3.957 4.969 1.00 0.00 O ATOM 166 CB PHE A 10 -5.477 2.745 1.892 1.00 0.00 C ATOM 167 CG PHE A 10 -4.335 3.623 1.438 1.00 0.00 C ATOM 168 CD1 PHE A 10 -3.149 3.046 0.965 1.00 0.00 C ATOM 169 CD2 PHE A 10 -4.458 5.015 1.494 1.00 0.00 C ATOM 170 CE1 PHE A 10 -2.091 3.865 0.550 1.00 0.00 C ATOM 171 CE2 PHE A 10 -3.401 5.832 1.082 1.00 0.00 C ATOM 172 CZ PHE A 10 -2.218 5.259 0.609 1.00 0.00 C ATOM 0 H PHE A 10 -7.041 1.209 3.074 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.440 1.830 3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.489 1.820 1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.428 3.246 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.051 1.971 0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.373 5.460 1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.177 3.421 0.184 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.499 6.906 1.129 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.402 5.890 0.289 1.00 0.00 H new ATOM 182 N GLU A 11 -6.034 4.695 3.738 1.00 0.00 N ATOM 183 CA GLU A 11 -6.008 6.063 4.346 1.00 0.00 C ATOM 184 C GLU A 11 -5.815 6.013 5.868 1.00 0.00 C ATOM 185 O GLU A 11 -5.063 6.788 6.422 1.00 0.00 O ATOM 186 CB GLU A 11 -7.320 6.782 4.028 1.00 0.00 C ATOM 187 CG GLU A 11 -7.306 8.174 4.662 1.00 0.00 C ATOM 188 CD GLU A 11 -7.410 9.237 3.567 1.00 0.00 C ATOM 189 OE1 GLU A 11 -7.794 8.885 2.463 1.00 0.00 O ATOM 190 OE2 GLU A 11 -7.103 10.384 3.850 1.00 0.00 O ATOM 0 H GLU A 11 -6.748 4.566 3.021 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.161 6.601 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.450 6.864 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.164 6.206 4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.136 8.275 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.389 8.315 5.234 1.00 0.00 H new ATOM 197 N LYS A 12 -6.494 5.136 6.557 1.00 0.00 N ATOM 198 CA LYS A 12 -6.333 5.091 8.043 1.00 0.00 C ATOM 199 C LYS A 12 -4.893 4.708 8.388 1.00 0.00 C ATOM 200 O LYS A 12 -4.307 5.239 9.308 1.00 0.00 O ATOM 201 CB LYS A 12 -7.325 4.083 8.662 1.00 0.00 C ATOM 202 CG LYS A 12 -6.659 2.715 8.887 1.00 0.00 C ATOM 203 CD LYS A 12 -5.776 2.771 10.145 1.00 0.00 C ATOM 204 CE LYS A 12 -6.304 1.790 11.197 1.00 0.00 C ATOM 205 NZ LYS A 12 -6.580 2.521 12.466 1.00 0.00 N ATOM 0 H LYS A 12 -7.145 4.456 6.164 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.549 6.076 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.697 4.470 9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.187 3.967 8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.420 1.943 8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.057 2.446 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.746 2.523 9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.769 3.783 10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.214 1.309 10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.574 1.000 11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.938 1.855 13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.703 2.960 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.292 3.259 12.294 1.00 0.00 H new ATOM 219 N TYR A 13 -4.324 3.782 7.661 1.00 0.00 N ATOM 220 CA TYR A 13 -2.926 3.362 7.950 1.00 0.00 C ATOM 221 C TYR A 13 -1.975 4.519 7.673 1.00 0.00 C ATOM 222 O TYR A 13 -0.801 4.467 7.982 1.00 0.00 O ATOM 223 CB TYR A 13 -2.583 2.138 7.111 1.00 0.00 C ATOM 224 CG TYR A 13 -3.143 0.952 7.840 1.00 0.00 C ATOM 225 CD1 TYR A 13 -2.485 0.480 8.974 1.00 0.00 C ATOM 226 CD2 TYR A 13 -4.333 0.351 7.414 1.00 0.00 C ATOM 227 CE1 TYR A 13 -3.007 -0.595 9.692 1.00 0.00 C ATOM 228 CE2 TYR A 13 -4.857 -0.730 8.129 1.00 0.00 C ATOM 229 CZ TYR A 13 -4.195 -1.204 9.270 1.00 0.00 C ATOM 230 OH TYR A 13 -4.713 -2.270 9.977 1.00 0.00 O ATOM 0 H TYR A 13 -4.769 3.300 6.880 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.824 3.092 9.001 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.014 2.219 6.113 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.504 2.043 6.986 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.567 0.949 9.298 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.844 0.721 6.537 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.496 -0.957 10.572 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.773 -1.200 7.802 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.262 -3.095 9.702 1.00 0.00 H new ATOM 240 N ASP A 15 -2.495 5.582 7.137 1.00 0.00 N ATOM 241 CA ASP A 15 -1.689 6.781 6.887 1.00 0.00 C ATOM 242 C ASP A 15 -1.731 7.589 8.183 1.00 0.00 C ATOM 243 O ASP A 15 -2.078 8.755 8.193 1.00 0.00 O ATOM 244 CB ASP A 15 -2.353 7.570 5.761 1.00 0.00 C ATOM 245 CG ASP A 15 -1.288 8.125 4.814 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.489 8.932 5.260 1.00 0.00 O ATOM 247 OD2 ASP A 15 -1.289 7.735 3.658 1.00 0.00 O ATOM 0 H ASP A 15 -3.473 5.662 6.858 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.663 6.550 6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.041 6.927 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.943 8.387 6.177 1.00 0.00 H new ATOM 252 N LYS A 16 -1.422 6.957 9.292 1.00 0.00 N ATOM 253 CA LYS A 16 -1.484 7.656 10.608 1.00 0.00 C ATOM 254 C LYS A 16 -0.244 8.539 10.812 1.00 0.00 C ATOM 255 O LYS A 16 0.228 8.705 11.919 1.00 0.00 O ATOM 256 CB LYS A 16 -1.562 6.625 11.756 1.00 0.00 C ATOM 257 CG LYS A 16 -2.152 5.282 11.275 1.00 0.00 C ATOM 258 CD LYS A 16 -1.087 4.191 11.394 1.00 0.00 C ATOM 259 CE LYS A 16 -0.758 3.961 12.872 1.00 0.00 C ATOM 260 NZ LYS A 16 0.720 3.883 13.047 1.00 0.00 N ATOM 0 H LYS A 16 -1.128 5.981 9.338 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.376 8.283 10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.565 6.459 12.165 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.176 7.024 12.563 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.025 5.020 11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.487 5.368 10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.446 3.266 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.188 4.484 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.164 4.772 13.476 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.225 3.040 13.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.943 3.727 14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.095 3.095 12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.155 4.773 12.730 1.00 0.00 H new ATOM 274 N GLU A 17 0.277 9.123 9.766 1.00 0.00 N ATOM 275 CA GLU A 17 1.465 10.008 9.918 1.00 0.00 C ATOM 276 C GLU A 17 1.118 11.390 9.360 1.00 0.00 C ATOM 277 O GLU A 17 1.560 12.403 9.862 1.00 0.00 O ATOM 278 CB GLU A 17 2.653 9.425 9.155 1.00 0.00 C ATOM 279 CG GLU A 17 3.952 10.007 9.719 1.00 0.00 C ATOM 280 CD GLU A 17 4.660 8.952 10.572 1.00 0.00 C ATOM 281 OE1 GLU A 17 4.657 7.798 10.176 1.00 0.00 O ATOM 282 OE2 GLU A 17 5.192 9.315 11.609 1.00 0.00 O ATOM 0 H GLU A 17 -0.070 9.024 8.812 1.00 0.00 H new ATOM 0 HA GLU A 17 1.734 10.087 10.971 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.659 8.339 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.568 9.658 8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.602 10.327 8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.736 10.890 10.320 1.00 0.00 H new ATOM 289 N GLY A 18 0.309 11.434 8.334 1.00 0.00 N ATOM 290 CA GLY A 18 -0.093 12.738 7.752 1.00 0.00 C ATOM 291 C GLY A 18 0.720 13.044 6.492 1.00 0.00 C ATOM 292 O GLY A 18 1.215 14.140 6.321 1.00 0.00 O ATOM 0 H GLY A 18 -0.090 10.615 7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.156 12.721 7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.054 13.530 8.486 1.00 0.00 H new ATOM 296 N ASP A 19 0.856 12.101 5.597 1.00 0.00 N ATOM 297 CA ASP A 19 1.631 12.381 4.353 1.00 0.00 C ATOM 298 C ASP A 19 0.740 12.171 3.120 1.00 0.00 C ATOM 299 O ASP A 19 1.154 12.410 2.002 1.00 0.00 O ATOM 300 CB ASP A 19 2.854 11.460 4.276 1.00 0.00 C ATOM 301 CG ASP A 19 4.125 12.281 4.507 1.00 0.00 C ATOM 302 OD1 ASP A 19 4.468 13.063 3.635 1.00 0.00 O ATOM 303 OD2 ASP A 19 4.733 12.114 5.552 1.00 0.00 O ATOM 0 H ASP A 19 0.469 11.160 5.672 1.00 0.00 H new ATOM 0 HA ASP A 19 1.969 13.417 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.777 10.671 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.895 10.972 3.302 1.00 0.00 H new ATOM 308 N GLY A 20 -0.482 11.732 3.308 1.00 0.00 N ATOM 309 CA GLY A 20 -1.389 11.517 2.144 1.00 0.00 C ATOM 310 C GLY A 20 -1.177 10.111 1.580 1.00 0.00 C ATOM 311 O GLY A 20 -2.096 9.471 1.112 1.00 0.00 O ATOM 0 H GLY A 20 -0.887 11.514 4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.427 11.644 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.191 12.262 1.374 1.00 0.00 H new ATOM 315 N GLN A 22 0.033 9.636 1.611 1.00 0.00 N ATOM 316 CA GLN A 22 0.330 8.293 1.072 1.00 0.00 C ATOM 317 C GLN A 22 1.224 7.535 2.045 1.00 0.00 C ATOM 318 O GLN A 22 1.577 8.033 3.097 1.00 0.00 O ATOM 319 CB GLN A 22 1.033 8.462 -0.275 1.00 0.00 C ATOM 320 CG GLN A 22 2.141 9.510 -0.133 1.00 0.00 C ATOM 321 CD GLN A 22 2.806 9.741 -1.491 1.00 0.00 C ATOM 322 OE1 GLN A 22 3.418 10.767 -1.714 1.00 0.00 O ATOM 323 NE2 GLN A 22 2.714 8.822 -2.414 1.00 0.00 N ATOM 0 H GLN A 22 0.838 10.132 1.994 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.591 7.725 0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.454 7.511 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.317 8.772 -1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.725 10.445 0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.881 9.175 0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.200 7.961 -2.227 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.156 8.965 -3.322 1.00 0.00 H new ATOM 332 N LEU A 23 1.570 6.318 1.724 1.00 0.00 N ATOM 333 CA LEU A 23 2.403 5.531 2.653 1.00 0.00 C ATOM 334 C LEU A 23 3.812 5.338 2.145 1.00 0.00 C ATOM 335 O LEU A 23 4.027 4.800 1.077 1.00 0.00 O ATOM 336 CB LEU A 23 1.879 4.108 2.758 1.00 0.00 C ATOM 337 CG LEU A 23 0.381 4.046 2.921 1.00 0.00 C ATOM 338 CD1 LEU A 23 -0.038 2.637 2.502 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.029 4.267 4.393 1.00 0.00 C ATOM 0 H LEU A 23 1.309 5.843 0.860 1.00 0.00 H new ATOM 0 HA LEU A 23 2.378 6.086 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.166 3.554 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.353 3.613 3.606 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.123 4.805 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.119 2.534 2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.250 2.465 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.456 1.905 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.053 4.224 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.496 3.491 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.392 5.244 4.711 1.00 0.00 H new ATOM 351 N SER A 24 4.770 5.592 2.969 1.00 0.00 N ATOM 352 CA SER A 24 6.132 5.211 2.576 1.00 0.00 C ATOM 353 C SER A 24 6.089 3.722 2.897 1.00 0.00 C ATOM 354 O SER A 24 5.178 3.304 3.583 1.00 0.00 O ATOM 355 CB SER A 24 7.170 5.932 3.440 1.00 0.00 C ATOM 356 OG SER A 24 6.571 6.311 4.674 1.00 0.00 O ATOM 0 H SER A 24 4.672 6.039 3.881 1.00 0.00 H new ATOM 0 HA SER A 24 6.406 5.454 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.025 5.280 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.546 6.813 2.919 1.00 0.00 H new ATOM 0 HG SER A 24 6.076 5.551 5.045 1.00 0.00 H new ATOM 362 N LYS A 25 6.963 2.881 2.451 1.00 0.00 N ATOM 363 CA LYS A 25 6.749 1.462 2.848 1.00 0.00 C ATOM 364 C LYS A 25 6.715 1.306 4.368 1.00 0.00 C ATOM 365 O LYS A 25 6.348 0.266 4.873 1.00 0.00 O ATOM 366 CB LYS A 25 7.765 0.518 2.223 1.00 0.00 C ATOM 367 CG LYS A 25 7.041 -0.315 1.175 1.00 0.00 C ATOM 368 CD LYS A 25 7.063 -1.775 1.624 1.00 0.00 C ATOM 369 CE LYS A 25 8.462 -2.351 1.401 1.00 0.00 C ATOM 370 NZ LYS A 25 9.374 -1.899 2.491 1.00 0.00 N ATOM 0 H LYS A 25 7.772 3.086 1.864 1.00 0.00 H new ATOM 0 HA LYS A 25 5.773 1.177 2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.580 1.081 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.208 -0.125 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.014 0.031 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.526 -0.209 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.791 -1.848 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.326 -2.351 1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.418 -3.440 1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.848 -2.029 0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.124 -2.605 2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.801 -0.987 2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.833 -1.789 3.373 1.00 0.00 H new ATOM 384 N GLU A 26 7.040 2.321 5.116 1.00 0.00 N ATOM 385 CA GLU A 26 6.945 2.175 6.588 1.00 0.00 C ATOM 386 C GLU A 26 5.462 1.990 6.929 1.00 0.00 C ATOM 387 O GLU A 26 5.099 1.198 7.771 1.00 0.00 O ATOM 388 CB GLU A 26 7.488 3.430 7.275 1.00 0.00 C ATOM 389 CG GLU A 26 8.996 3.281 7.489 1.00 0.00 C ATOM 390 CD GLU A 26 9.714 4.516 6.940 1.00 0.00 C ATOM 391 OE1 GLU A 26 9.148 5.594 7.026 1.00 0.00 O ATOM 392 OE2 GLU A 26 10.818 4.362 6.444 1.00 0.00 O ATOM 0 H GLU A 26 7.361 3.228 4.778 1.00 0.00 H new ATOM 0 HA GLU A 26 7.531 1.323 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.281 4.310 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.987 3.580 8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.213 3.163 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.358 2.384 6.987 1.00 0.00 H new ATOM 399 N GLU A 27 4.609 2.723 6.258 1.00 0.00 N ATOM 400 CA GLU A 27 3.138 2.620 6.500 1.00 0.00 C ATOM 401 C GLU A 27 2.516 1.505 5.637 1.00 0.00 C ATOM 402 O GLU A 27 1.563 0.873 6.045 1.00 0.00 O ATOM 403 CB GLU A 27 2.489 3.964 6.169 1.00 0.00 C ATOM 404 CG GLU A 27 2.908 4.997 7.217 1.00 0.00 C ATOM 405 CD GLU A 27 3.641 6.152 6.531 1.00 0.00 C ATOM 406 OE1 GLU A 27 2.971 7.024 6.003 1.00 0.00 O ATOM 407 OE2 GLU A 27 4.861 6.147 6.549 1.00 0.00 O ATOM 0 H GLU A 27 4.875 3.399 5.542 1.00 0.00 H new ATOM 0 HA GLU A 27 2.964 2.370 7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.793 4.293 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.404 3.863 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.031 5.371 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.555 4.533 7.962 1.00 0.00 H new ATOM 414 N LEU A 28 3.039 1.235 4.463 1.00 0.00 N ATOM 415 CA LEU A 28 2.440 0.133 3.635 1.00 0.00 C ATOM 416 C LEU A 28 2.704 -1.176 4.350 1.00 0.00 C ATOM 417 O LEU A 28 1.782 -1.916 4.634 1.00 0.00 O ATOM 418 CB LEU A 28 3.037 0.112 2.232 1.00 0.00 C ATOM 419 CG LEU A 28 2.164 -0.756 1.329 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.220 0.133 0.520 1.00 0.00 C ATOM 421 CD2 LEU A 28 3.057 -1.543 0.377 1.00 0.00 C ATOM 0 H LEU A 28 3.837 1.716 4.048 1.00 0.00 H new ATOM 0 HA LEU A 28 1.368 0.294 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.098 1.125 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.053 -0.281 2.262 1.00 0.00 H new ATOM 0 HG LEU A 28 1.578 -1.444 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.598 -0.488 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.585 0.702 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.803 0.820 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.439 -2.165 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.639 -0.851 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.732 -2.177 0.952 1.00 0.00 H new ATOM 433 N LYS A 29 3.938 -1.458 4.692 1.00 0.00 N ATOM 434 CA LYS A 29 4.203 -2.699 5.472 1.00 0.00 C ATOM 435 C LYS A 29 3.299 -2.621 6.714 1.00 0.00 C ATOM 436 O LYS A 29 2.345 -1.893 6.715 1.00 0.00 O ATOM 437 CB LYS A 29 5.675 -2.756 5.894 1.00 0.00 C ATOM 438 CG LYS A 29 6.390 -3.862 5.111 1.00 0.00 C ATOM 439 CD LYS A 29 7.906 -3.676 5.220 1.00 0.00 C ATOM 440 CE LYS A 29 8.611 -4.633 4.257 1.00 0.00 C ATOM 441 NZ LYS A 29 8.955 -5.894 4.973 1.00 0.00 N ATOM 0 H LYS A 29 4.757 -0.892 4.468 1.00 0.00 H new ATOM 0 HA LYS A 29 3.997 -3.592 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.155 -1.795 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.750 -2.947 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.105 -4.839 5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.085 -3.835 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.174 -2.646 4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.233 -3.866 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.966 -4.850 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.514 -4.168 3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.984 -5.943 5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.478 -5.910 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.643 -6.710 4.408 1.00 0.00 H new ATOM 455 N LEU A 30 3.565 -3.335 7.771 1.00 0.00 N ATOM 456 CA LEU A 30 2.651 -3.248 8.965 1.00 0.00 C ATOM 457 C LEU A 30 1.207 -3.485 8.487 1.00 0.00 C ATOM 458 O LEU A 30 0.724 -4.596 8.524 1.00 0.00 O ATOM 459 CB LEU A 30 2.742 -1.878 9.672 1.00 0.00 C ATOM 460 CG LEU A 30 3.762 -0.946 9.003 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.820 0.361 9.794 1.00 0.00 C ATOM 462 CD2 LEU A 30 5.153 -1.587 8.999 1.00 0.00 C ATOM 0 H LEU A 30 4.359 -3.967 7.869 1.00 0.00 H new ATOM 0 HA LEU A 30 2.956 -4.005 9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.761 -1.403 9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.019 -2.027 10.716 1.00 0.00 H new ATOM 0 HG LEU A 30 3.457 -0.761 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.541 1.035 9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.836 0.829 9.796 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.125 0.152 10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.863 -0.912 8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.468 -1.778 10.025 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.119 -2.527 8.449 1.00 0.00 H new ATOM 474 N LEU A 31 0.520 -2.458 8.021 1.00 0.00 N ATOM 475 CA LEU A 31 -0.871 -2.643 7.506 1.00 0.00 C ATOM 476 C LEU A 31 -0.933 -3.970 6.741 1.00 0.00 C ATOM 477 O LEU A 31 -1.787 -4.786 6.988 1.00 0.00 O ATOM 478 CB LEU A 31 -1.204 -1.474 6.565 1.00 0.00 C ATOM 479 CG LEU A 31 -2.229 -1.899 5.507 1.00 0.00 C ATOM 480 CD1 LEU A 31 -3.548 -2.262 6.183 1.00 0.00 C ATOM 481 CD2 LEU A 31 -2.460 -0.742 4.533 1.00 0.00 C ATOM 0 H LEU A 31 0.870 -1.501 7.978 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.590 -2.663 8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.597 -0.637 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.294 -1.125 6.076 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.851 -2.766 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.273 -2.563 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.386 -3.085 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.928 -1.397 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.188 -1.041 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.837 0.123 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.520 -0.483 4.046 1.00 0.00 H new ATOM 493 N LEU A 32 -0.026 -4.189 5.821 1.00 0.00 N ATOM 494 CA LEU A 32 -0.027 -5.484 5.063 1.00 0.00 C ATOM 495 C LEU A 32 -0.275 -6.648 6.044 1.00 0.00 C ATOM 496 O LEU A 32 -1.127 -7.487 5.829 1.00 0.00 O ATOM 497 CB LEU A 32 1.348 -5.636 4.368 1.00 0.00 C ATOM 498 CG LEU A 32 1.823 -7.107 4.281 1.00 0.00 C ATOM 499 CD1 LEU A 32 2.446 -7.550 5.601 1.00 0.00 C ATOM 500 CD2 LEU A 32 0.664 -8.043 3.929 1.00 0.00 C ATOM 0 H LEU A 32 0.711 -3.534 5.562 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.817 -5.495 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.289 -5.219 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.090 -5.052 4.912 1.00 0.00 H new ATOM 0 HG LEU A 32 2.572 -7.162 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.773 -8.586 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.303 -6.916 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.708 -7.465 6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.028 -9.069 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.107 -7.972 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.244 -7.756 2.965 1.00 0.00 H new ATOM 512 N GLN A 33 0.498 -6.721 7.088 1.00 0.00 N ATOM 513 CA GLN A 33 0.383 -7.841 8.085 1.00 0.00 C ATOM 514 C GLN A 33 -1.011 -7.962 8.735 1.00 0.00 C ATOM 515 O GLN A 33 -1.186 -8.735 9.658 1.00 0.00 O ATOM 516 CB GLN A 33 1.399 -7.589 9.196 1.00 0.00 C ATOM 517 CG GLN A 33 2.769 -8.119 8.773 1.00 0.00 C ATOM 518 CD GLN A 33 3.747 -8.016 9.947 1.00 0.00 C ATOM 519 OE1 GLN A 33 4.578 -8.881 10.137 1.00 0.00 O ATOM 520 NE2 GLN A 33 3.684 -6.986 10.747 1.00 0.00 N ATOM 0 H GLN A 33 1.225 -6.039 7.305 1.00 0.00 H new ATOM 0 HA GLN A 33 0.563 -8.769 7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.461 -6.522 9.409 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.077 -8.079 10.115 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.684 -9.156 8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.144 -7.548 7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.986 -6.259 10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.332 -6.908 11.531 1.00 0.00 H new ATOM 529 N THR A 34 -1.996 -7.223 8.312 1.00 0.00 N ATOM 530 CA THR A 34 -3.330 -7.341 8.975 1.00 0.00 C ATOM 531 C THR A 34 -4.485 -7.437 7.960 1.00 0.00 C ATOM 532 O THR A 34 -5.408 -8.203 8.155 1.00 0.00 O ATOM 533 CB THR A 34 -3.559 -6.117 9.865 1.00 0.00 C ATOM 534 OG1 THR A 34 -3.175 -4.944 9.163 1.00 0.00 O ATOM 535 CG2 THR A 34 -2.727 -6.251 11.140 1.00 0.00 C ATOM 0 H THR A 34 -1.941 -6.550 7.547 1.00 0.00 H new ATOM 0 HA THR A 34 -3.323 -8.260 9.561 1.00 0.00 H new ATOM 0 HB THR A 34 -4.614 -6.050 10.129 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.974 -5.172 8.231 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.890 -5.379 11.774 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.026 -7.151 11.677 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.671 -6.318 10.880 1.00 0.00 H new ATOM 543 N GLU A 35 -4.486 -6.655 6.909 1.00 0.00 N ATOM 544 CA GLU A 35 -5.645 -6.727 5.958 1.00 0.00 C ATOM 545 C GLU A 35 -5.185 -6.864 4.503 1.00 0.00 C ATOM 546 O GLU A 35 -5.990 -6.837 3.593 1.00 0.00 O ATOM 547 CB GLU A 35 -6.478 -5.449 6.086 1.00 0.00 C ATOM 548 CG GLU A 35 -6.394 -4.910 7.516 1.00 0.00 C ATOM 549 CD GLU A 35 -7.768 -4.392 7.944 1.00 0.00 C ATOM 550 OE1 GLU A 35 -8.713 -5.162 7.887 1.00 0.00 O ATOM 551 OE2 GLU A 35 -7.852 -3.235 8.319 1.00 0.00 O ATOM 0 H GLU A 35 -3.756 -5.985 6.669 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.232 -7.608 6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.117 -4.698 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.517 -5.655 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.062 -5.696 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.657 -4.109 7.572 1.00 0.00 H new ATOM 558 N PHE A 36 -3.916 -7.000 4.262 1.00 0.00 N ATOM 559 CA PHE A 36 -3.444 -7.126 2.856 1.00 0.00 C ATOM 560 C PHE A 36 -2.352 -8.192 2.778 1.00 0.00 C ATOM 561 O PHE A 36 -1.283 -7.936 2.275 1.00 0.00 O ATOM 562 CB PHE A 36 -2.900 -5.773 2.384 1.00 0.00 C ATOM 563 CG PHE A 36 -4.060 -4.871 2.025 1.00 0.00 C ATOM 564 CD1 PHE A 36 -4.898 -4.379 3.031 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.304 -4.533 0.690 1.00 0.00 C ATOM 566 CE1 PHE A 36 -5.978 -3.552 2.702 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.384 -3.708 0.359 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.222 -3.217 1.366 1.00 0.00 C ATOM 0 H PHE A 36 -3.185 -7.030 4.973 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.272 -7.423 2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.297 -5.316 3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.249 -5.910 1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.711 -4.638 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.657 -4.910 -0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.623 -3.172 3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.571 -3.450 -0.673 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.056 -2.580 1.112 1.00 0.00 H new ATOM 578 N PRO A 37 -2.661 -9.368 3.267 1.00 0.00 N ATOM 579 CA PRO A 37 -1.713 -10.499 3.261 1.00 0.00 C ATOM 580 C PRO A 37 -1.503 -10.949 1.831 1.00 0.00 C ATOM 581 O PRO A 37 -0.420 -10.866 1.287 1.00 0.00 O ATOM 582 CB PRO A 37 -2.437 -11.605 4.025 1.00 0.00 C ATOM 583 CG PRO A 37 -3.927 -11.221 4.005 1.00 0.00 C ATOM 584 CD PRO A 37 -3.980 -9.690 3.842 1.00 0.00 C ATOM 0 HA PRO A 37 -0.746 -10.247 3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.277 -12.575 3.554 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.066 -11.681 5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.445 -11.717 3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.420 -11.531 4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.792 -9.383 3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.137 -9.188 4.797 1.00 0.00 H new ATOM 592 N SER A 38 -2.553 -11.434 1.220 1.00 0.00 N ATOM 593 CA SER A 38 -2.457 -11.899 -0.170 1.00 0.00 C ATOM 594 C SER A 38 -1.615 -10.889 -0.952 1.00 0.00 C ATOM 595 O SER A 38 -0.906 -11.225 -1.879 1.00 0.00 O ATOM 596 CB SER A 38 -3.854 -12.005 -0.782 1.00 0.00 C ATOM 597 OG SER A 38 -4.527 -13.125 -0.220 1.00 0.00 O ATOM 0 H SER A 38 -3.478 -11.523 1.641 1.00 0.00 H new ATOM 0 HA SER A 38 -1.992 -12.884 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.418 -11.093 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.783 -12.114 -1.864 1.00 0.00 H new ATOM 0 HG SER A 38 -5.424 -13.196 -0.608 1.00 0.00 H new ATOM 603 N LEU A 39 -1.680 -9.649 -0.541 1.00 0.00 N ATOM 604 CA LEU A 39 -0.878 -8.579 -1.195 1.00 0.00 C ATOM 605 C LEU A 39 0.583 -9.017 -1.191 1.00 0.00 C ATOM 606 O LEU A 39 1.209 -9.168 -2.223 1.00 0.00 O ATOM 607 CB LEU A 39 -1.011 -7.298 -0.359 1.00 0.00 C ATOM 608 CG LEU A 39 -0.520 -6.055 -1.117 1.00 0.00 C ATOM 609 CD1 LEU A 39 0.528 -6.425 -2.168 1.00 0.00 C ATOM 610 CD2 LEU A 39 -1.702 -5.375 -1.797 1.00 0.00 C ATOM 0 H LEU A 39 -2.264 -9.331 0.232 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.222 -8.402 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.054 -7.159 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.441 -7.408 0.563 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.060 -5.376 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.856 -5.525 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.382 -6.894 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.093 -7.120 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.354 -4.493 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.166 -6.068 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.432 -5.077 -1.045 1.00 0.00 H new ATOM 622 N LEU A 40 1.123 -9.218 -0.023 1.00 0.00 N ATOM 623 CA LEU A 40 2.539 -9.646 0.088 1.00 0.00 C ATOM 624 C LEU A 40 2.601 -11.173 0.102 1.00 0.00 C ATOM 625 O LEU A 40 3.443 -11.769 0.745 1.00 0.00 O ATOM 626 CB LEU A 40 3.126 -9.090 1.385 1.00 0.00 C ATOM 627 CG LEU A 40 3.462 -7.609 1.200 1.00 0.00 C ATOM 628 CD1 LEU A 40 2.183 -6.769 1.304 1.00 0.00 C ATOM 629 CD2 LEU A 40 4.452 -7.179 2.288 1.00 0.00 C ATOM 0 H LEU A 40 0.637 -9.102 0.866 1.00 0.00 H new ATOM 0 HA LEU A 40 3.113 -9.271 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.414 -9.213 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.023 -9.646 1.658 1.00 0.00 H new ATOM 0 HG LEU A 40 3.908 -7.456 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.428 -5.715 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.481 -7.078 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.730 -6.916 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.696 -6.124 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.004 -7.333 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.362 -7.774 2.208 1.00 0.00 H new ATOM 641 N LYS A 41 1.710 -11.808 -0.608 1.00 0.00 N ATOM 642 CA LYS A 41 1.700 -13.294 -0.650 1.00 0.00 C ATOM 643 C LYS A 41 1.729 -13.745 -2.114 1.00 0.00 C ATOM 644 O LYS A 41 0.874 -14.481 -2.565 1.00 0.00 O ATOM 645 CB LYS A 41 0.429 -13.815 0.033 1.00 0.00 C ATOM 646 CG LYS A 41 0.626 -15.281 0.428 1.00 0.00 C ATOM 647 CD LYS A 41 1.855 -15.408 1.332 1.00 0.00 C ATOM 648 CE LYS A 41 1.803 -16.743 2.080 1.00 0.00 C ATOM 649 NZ LYS A 41 2.922 -17.615 1.624 1.00 0.00 N ATOM 0 H LYS A 41 0.984 -11.356 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 41 2.571 -13.690 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.206 -13.216 0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.423 -13.720 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.259 -15.651 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.753 -15.895 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.766 -15.348 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.884 -14.582 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.876 -16.573 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.848 -17.236 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.885 -18.521 2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.833 -17.788 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.829 -17.145 1.818 1.00 0.00 H new ATOM 663 N GLY A 42 2.706 -13.301 -2.861 1.00 0.00 N ATOM 664 CA GLY A 42 2.790 -13.696 -4.298 1.00 0.00 C ATOM 665 C GLY A 42 4.100 -14.447 -4.550 1.00 0.00 C ATOM 666 O GLY A 42 4.122 -15.657 -4.647 1.00 0.00 O ATOM 0 H GLY A 42 3.449 -12.682 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.941 -14.327 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.739 -12.811 -4.932 1.00 0.00 H new ATOM 670 N MET A 43 5.191 -13.739 -4.659 1.00 0.00 N ATOM 671 CA MET A 43 6.498 -14.415 -4.905 1.00 0.00 C ATOM 672 C MET A 43 7.627 -13.596 -4.273 1.00 0.00 C ATOM 673 O MET A 43 8.247 -14.014 -3.315 1.00 0.00 O ATOM 674 CB MET A 43 6.739 -14.532 -6.413 1.00 0.00 C ATOM 675 CG MET A 43 6.234 -15.888 -6.911 1.00 0.00 C ATOM 676 SD MET A 43 7.596 -16.792 -7.689 1.00 0.00 S ATOM 677 CE MET A 43 6.592 -18.063 -8.498 1.00 0.00 C ATOM 0 H MET A 43 5.235 -12.722 -4.589 1.00 0.00 H new ATOM 0 HA MET A 43 6.478 -15.410 -4.461 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.225 -13.726 -6.937 1.00 0.00 H new ATOM 0 HB3 MET A 43 7.802 -14.426 -6.631 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.829 -16.465 -6.079 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.423 -15.746 -7.625 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.241 -18.744 -9.048 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.035 -18.621 -7.745 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.894 -17.590 -9.189 1.00 0.00 H new ATOM 687 N SER A 44 7.902 -12.434 -4.802 1.00 0.00 N ATOM 688 CA SER A 44 8.996 -11.594 -4.231 1.00 0.00 C ATOM 689 C SER A 44 8.429 -10.691 -3.134 1.00 0.00 C ATOM 690 O SER A 44 8.903 -10.679 -2.016 1.00 0.00 O ATOM 691 CB SER A 44 9.601 -10.724 -5.334 1.00 0.00 C ATOM 692 OG SER A 44 8.825 -10.856 -6.517 1.00 0.00 O ATOM 0 H SER A 44 7.418 -12.030 -5.604 1.00 0.00 H new ATOM 0 HA SER A 44 9.765 -12.242 -3.811 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.627 -9.681 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.631 -11.025 -5.526 1.00 0.00 H new ATOM 0 HG SER A 44 8.253 -10.067 -6.623 1.00 0.00 H new ATOM 698 N THR A 45 7.416 -9.932 -3.451 1.00 0.00 N ATOM 699 CA THR A 45 6.811 -9.023 -2.439 1.00 0.00 C ATOM 700 C THR A 45 7.908 -8.335 -1.637 1.00 0.00 C ATOM 701 O THR A 45 8.934 -7.983 -2.174 1.00 0.00 O ATOM 702 CB THR A 45 5.905 -9.825 -1.525 1.00 0.00 C ATOM 703 OG1 THR A 45 5.139 -8.945 -0.715 1.00 0.00 O ATOM 704 CG2 THR A 45 6.732 -10.769 -0.649 1.00 0.00 C ATOM 0 H THR A 45 6.980 -9.903 -4.373 1.00 0.00 H new ATOM 0 HA THR A 45 6.221 -8.256 -2.940 1.00 0.00 H new ATOM 0 HB THR A 45 5.229 -10.425 -2.134 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.295 -9.151 0.230 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.067 -11.338 0.001 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.294 -11.455 -1.283 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.425 -10.188 -0.041 1.00 0.00 H new ATOM 712 N LEU A 46 7.716 -8.131 -0.359 1.00 0.00 N ATOM 713 CA LEU A 46 8.771 -7.443 0.428 1.00 0.00 C ATOM 714 C LEU A 46 8.933 -6.007 -0.103 1.00 0.00 C ATOM 715 O LEU A 46 8.173 -5.130 0.243 1.00 0.00 O ATOM 716 CB LEU A 46 10.096 -8.205 0.299 1.00 0.00 C ATOM 717 CG LEU A 46 11.185 -7.467 1.075 1.00 0.00 C ATOM 718 CD1 LEU A 46 11.018 -7.739 2.571 1.00 0.00 C ATOM 719 CD2 LEU A 46 12.560 -7.961 0.620 1.00 0.00 C ATOM 0 H LEU A 46 6.885 -8.408 0.164 1.00 0.00 H new ATOM 0 HA LEU A 46 8.487 -7.413 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.984 -9.219 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.377 -8.292 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 46 11.102 -6.397 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.795 -7.213 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.039 -7.389 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.101 -8.810 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.337 -7.434 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.643 -9.032 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.681 -7.769 -0.446 1.00 0.00 H new ATOM 731 N ASP A 47 9.905 -5.761 -0.948 1.00 0.00 N ATOM 732 CA ASP A 47 10.095 -4.387 -1.510 1.00 0.00 C ATOM 733 C ASP A 47 9.232 -4.211 -2.752 1.00 0.00 C ATOM 734 O ASP A 47 9.096 -3.132 -3.258 1.00 0.00 O ATOM 735 CB ASP A 47 11.565 -4.194 -1.879 1.00 0.00 C ATOM 736 CG ASP A 47 12.267 -3.389 -0.784 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.221 -3.816 0.358 1.00 0.00 O ATOM 738 OD2 ASP A 47 12.837 -2.360 -1.105 1.00 0.00 O ATOM 0 H ASP A 47 10.577 -6.456 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 47 9.802 -3.648 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.050 -5.162 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.646 -3.675 -2.834 1.00 0.00 H new ATOM 743 N GLU A 48 8.694 -5.290 -3.232 1.00 0.00 N ATOM 744 CA GLU A 48 7.866 -5.334 -4.443 1.00 0.00 C ATOM 745 C GLU A 48 6.515 -4.688 -4.190 1.00 0.00 C ATOM 746 O GLU A 48 5.779 -4.428 -5.099 1.00 0.00 O ATOM 747 CB GLU A 48 7.692 -6.803 -4.796 1.00 0.00 C ATOM 748 CG GLU A 48 8.299 -7.075 -6.167 1.00 0.00 C ATOM 749 CD GLU A 48 7.202 -7.529 -7.132 1.00 0.00 C ATOM 750 OE1 GLU A 48 6.602 -6.675 -7.760 1.00 0.00 O ATOM 751 OE2 GLU A 48 6.982 -8.726 -7.223 1.00 0.00 O ATOM 0 H GLU A 48 8.810 -6.203 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 48 8.338 -4.786 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.173 -7.428 -4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.634 -7.064 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.782 -6.175 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.070 -7.842 -6.089 1.00 0.00 H new ATOM 758 N LEU A 49 6.214 -4.388 -2.968 1.00 0.00 N ATOM 759 CA LEU A 49 4.941 -3.680 -2.669 1.00 0.00 C ATOM 760 C LEU A 49 5.249 -2.220 -2.970 1.00 0.00 C ATOM 761 O LEU A 49 4.435 -1.456 -3.448 1.00 0.00 O ATOM 762 CB LEU A 49 4.526 -3.827 -1.195 1.00 0.00 C ATOM 763 CG LEU A 49 5.542 -4.646 -0.398 1.00 0.00 C ATOM 764 CD1 LEU A 49 5.096 -4.714 1.062 1.00 0.00 C ATOM 765 CD2 LEU A 49 5.630 -6.067 -0.963 1.00 0.00 C ATOM 0 H LEU A 49 6.794 -4.601 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 49 4.116 -4.085 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.423 -2.839 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.549 -4.306 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 49 6.520 -4.171 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.817 -5.297 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.037 -3.706 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.116 -5.188 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.356 -6.643 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.653 -6.546 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.943 -6.025 -2.006 1.00 0.00 H new ATOM 777 N PHE A 50 6.475 -1.867 -2.711 1.00 0.00 N ATOM 778 CA PHE A 50 6.979 -0.512 -2.988 1.00 0.00 C ATOM 779 C PHE A 50 7.326 -0.438 -4.469 1.00 0.00 C ATOM 780 O PHE A 50 7.021 0.516 -5.157 1.00 0.00 O ATOM 781 CB PHE A 50 8.254 -0.354 -2.178 1.00 0.00 C ATOM 782 CG PHE A 50 8.343 1.031 -1.577 1.00 0.00 C ATOM 783 CD1 PHE A 50 7.599 2.088 -2.118 1.00 0.00 C ATOM 784 CD2 PHE A 50 9.184 1.259 -0.480 1.00 0.00 C ATOM 785 CE1 PHE A 50 7.694 3.370 -1.560 1.00 0.00 C ATOM 786 CE2 PHE A 50 9.279 2.540 0.077 1.00 0.00 C ATOM 787 CZ PHE A 50 8.533 3.595 -0.463 1.00 0.00 C ATOM 0 H PHE A 50 7.168 -2.494 -2.303 1.00 0.00 H new ATOM 0 HA PHE A 50 6.251 0.259 -2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.281 -1.101 -1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.119 -0.535 -2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.952 1.915 -2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.760 0.446 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.120 4.184 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.927 2.714 0.923 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.605 4.583 -0.033 1.00 0.00 H new ATOM 797 N GLU A 51 7.936 -1.477 -4.958 1.00 0.00 N ATOM 798 CA GLU A 51 8.287 -1.533 -6.404 1.00 0.00 C ATOM 799 C GLU A 51 6.996 -1.836 -7.141 1.00 0.00 C ATOM 800 O GLU A 51 6.822 -1.514 -8.299 1.00 0.00 O ATOM 801 CB GLU A 51 9.297 -2.659 -6.710 1.00 0.00 C ATOM 802 CG GLU A 51 10.259 -2.904 -5.538 1.00 0.00 C ATOM 803 CD GLU A 51 11.657 -3.180 -6.091 1.00 0.00 C ATOM 804 OE1 GLU A 51 12.165 -2.336 -6.809 1.00 0.00 O ATOM 805 OE2 GLU A 51 12.197 -4.232 -5.788 1.00 0.00 O ATOM 0 H GLU A 51 8.209 -2.297 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 51 8.744 -0.591 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.757 -3.579 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.869 -2.400 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.279 -2.035 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.917 -3.749 -4.940 1.00 0.00 H new ATOM 812 N GLU A 52 6.090 -2.467 -6.445 1.00 0.00 N ATOM 813 CA GLU A 52 4.775 -2.828 -7.045 1.00 0.00 C ATOM 814 C GLU A 52 4.302 -1.686 -7.940 1.00 0.00 C ATOM 815 O GLU A 52 3.844 -1.911 -9.043 1.00 0.00 O ATOM 816 CB GLU A 52 3.744 -3.061 -5.934 1.00 0.00 C ATOM 817 CG GLU A 52 3.433 -4.556 -5.802 1.00 0.00 C ATOM 818 CD GLU A 52 2.105 -4.873 -6.490 1.00 0.00 C ATOM 819 OE1 GLU A 52 2.130 -5.174 -7.672 1.00 0.00 O ATOM 820 OE2 GLU A 52 1.085 -4.808 -5.824 1.00 0.00 O ATOM 0 H GLU A 52 6.208 -2.751 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 52 4.883 -3.740 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.126 -2.677 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.830 -2.511 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.234 -5.144 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.383 -4.835 -4.749 1.00 0.00 H new ATOM 827 N LEU A 53 4.415 -0.456 -7.499 1.00 0.00 N ATOM 828 CA LEU A 53 3.985 0.652 -8.345 1.00 0.00 C ATOM 829 C LEU A 53 5.234 1.344 -8.841 1.00 0.00 C ATOM 830 O LEU A 53 5.258 1.944 -9.897 1.00 0.00 O ATOM 831 CB LEU A 53 3.163 1.597 -7.493 1.00 0.00 C ATOM 832 CG LEU A 53 1.785 0.987 -7.272 1.00 0.00 C ATOM 833 CD1 LEU A 53 0.963 1.905 -6.376 1.00 0.00 C ATOM 834 CD2 LEU A 53 1.087 0.814 -8.619 1.00 0.00 C ATOM 0 H LEU A 53 4.789 -0.192 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 53 3.384 0.317 -9.191 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.657 1.769 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.072 2.566 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 53 1.886 0.014 -6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.024 1.470 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.467 2.023 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.857 2.879 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.100 0.377 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.982 1.786 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.680 0.155 -9.254 1.00 0.00 H new ATOM 846 N ASP A 54 6.295 1.238 -8.081 1.00 0.00 N ATOM 847 CA ASP A 54 7.565 1.853 -8.487 1.00 0.00 C ATOM 848 C ASP A 54 7.305 3.250 -9.013 1.00 0.00 C ATOM 849 O ASP A 54 8.085 3.828 -9.744 1.00 0.00 O ATOM 850 CB ASP A 54 8.057 0.981 -9.573 1.00 0.00 C ATOM 851 CG ASP A 54 9.248 1.619 -10.289 1.00 0.00 C ATOM 852 OD1 ASP A 54 10.258 1.836 -9.639 1.00 0.00 O ATOM 853 OD2 ASP A 54 9.130 1.885 -11.474 1.00 0.00 O ATOM 0 H ASP A 54 6.321 0.743 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 54 8.279 1.942 -7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.349 0.014 -9.164 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.255 0.796 -10.287 1.00 0.00 H new ATOM 858 N LYS A 55 6.207 3.781 -8.632 1.00 0.00 N ATOM 859 CA LYS A 55 5.820 5.122 -9.054 1.00 0.00 C ATOM 860 C LYS A 55 6.996 6.071 -8.825 1.00 0.00 C ATOM 861 O LYS A 55 7.600 6.043 -7.773 1.00 0.00 O ATOM 862 CB LYS A 55 4.663 5.530 -8.159 1.00 0.00 C ATOM 863 CG LYS A 55 5.092 5.421 -6.689 1.00 0.00 C ATOM 864 CD LYS A 55 5.228 6.820 -6.080 1.00 0.00 C ATOM 865 CE LYS A 55 6.606 6.976 -5.411 1.00 0.00 C ATOM 866 NZ LYS A 55 7.033 5.678 -4.811 1.00 0.00 N ATOM 0 H LYS A 55 5.534 3.321 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 55 5.541 5.153 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.357 6.551 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.801 4.890 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.358 4.841 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.041 4.890 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.104 7.576 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.439 6.984 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.341 7.305 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.560 7.745 -4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.688 5.858 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.199 5.168 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.510 5.102 -5.533 1.00 0.00 H new ATOM 880 N ASN A 56 7.330 6.939 -9.749 1.00 0.00 N ATOM 881 CA ASN A 56 8.443 7.859 -9.439 1.00 0.00 C ATOM 882 C ASN A 56 8.014 9.084 -8.709 1.00 0.00 C ATOM 883 O ASN A 56 8.606 10.134 -8.855 1.00 0.00 O ATOM 884 CB ASN A 56 9.365 8.215 -10.602 1.00 0.00 C ATOM 885 CG ASN A 56 10.754 7.725 -10.200 1.00 0.00 C ATOM 886 OD1 ASN A 56 11.398 6.960 -10.891 1.00 0.00 O ATOM 887 ND2 ASN A 56 11.223 8.186 -9.052 1.00 0.00 N ATOM 0 H ASN A 56 6.895 7.042 -10.666 1.00 0.00 H new ATOM 0 HA ASN A 56 9.053 7.255 -8.767 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.034 7.737 -11.524 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.367 9.290 -10.784 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.147 7.900 -8.727 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.661 8.827 -8.492 1.00 0.00 H new ATOM 894 N GLY A 57 7.092 8.949 -7.805 1.00 0.00 N ATOM 895 CA GLY A 57 6.805 10.127 -6.958 1.00 0.00 C ATOM 896 C GLY A 57 8.173 10.390 -6.357 1.00 0.00 C ATOM 897 O GLY A 57 8.962 11.180 -6.840 1.00 0.00 O ATOM 0 H GLY A 57 6.544 8.109 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.440 10.974 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.054 9.915 -6.197 1.00 0.00 H new ATOM 901 N ASP A 58 8.491 9.595 -5.399 1.00 0.00 N ATOM 902 CA ASP A 58 9.850 9.594 -4.826 1.00 0.00 C ATOM 903 C ASP A 58 9.991 8.431 -3.835 1.00 0.00 C ATOM 904 O ASP A 58 11.073 7.918 -3.628 1.00 0.00 O ATOM 905 CB ASP A 58 10.225 10.933 -4.221 1.00 0.00 C ATOM 906 CG ASP A 58 9.360 11.219 -2.991 1.00 0.00 C ATOM 907 OD1 ASP A 58 9.201 10.319 -2.183 1.00 0.00 O ATOM 908 OD2 ASP A 58 8.874 12.331 -2.878 1.00 0.00 O ATOM 0 H ASP A 58 7.850 8.925 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 58 10.566 9.439 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.278 10.931 -3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.093 11.724 -4.959 1.00 0.00 H new ATOM 913 N GLY A 59 8.907 7.996 -3.220 1.00 0.00 N ATOM 914 CA GLY A 59 9.017 6.860 -2.260 1.00 0.00 C ATOM 915 C GLY A 59 7.731 6.732 -1.433 1.00 0.00 C ATOM 916 O GLY A 59 7.772 6.615 -0.225 1.00 0.00 O ATOM 0 H GLY A 59 7.969 8.377 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.201 5.933 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.869 7.016 -1.598 1.00 0.00 H new ATOM 920 N GLU A 60 6.590 6.748 -2.070 1.00 0.00 N ATOM 921 CA GLU A 60 5.315 6.623 -1.309 1.00 0.00 C ATOM 922 C GLU A 60 4.196 6.119 -2.229 1.00 0.00 C ATOM 923 O GLU A 60 4.324 6.105 -3.436 1.00 0.00 O ATOM 924 CB GLU A 60 4.927 7.990 -0.754 1.00 0.00 C ATOM 925 CG GLU A 60 5.981 8.455 0.249 1.00 0.00 C ATOM 926 CD GLU A 60 5.548 9.788 0.860 1.00 0.00 C ATOM 927 OE1 GLU A 60 5.872 10.813 0.284 1.00 0.00 O ATOM 928 OE2 GLU A 60 4.897 9.762 1.891 1.00 0.00 O ATOM 0 H GLU A 60 6.487 6.842 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 60 5.455 5.912 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.840 8.712 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.951 7.934 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.108 7.708 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.946 8.566 -0.246 1.00 0.00 H new ATOM 935 N VAL A 61 3.092 5.716 -1.656 1.00 0.00 N ATOM 936 CA VAL A 61 1.945 5.220 -2.470 1.00 0.00 C ATOM 937 C VAL A 61 0.659 5.723 -1.833 1.00 0.00 C ATOM 938 O VAL A 61 0.248 5.272 -0.785 1.00 0.00 O ATOM 939 CB VAL A 61 1.960 3.703 -2.480 1.00 0.00 C ATOM 940 CG1 VAL A 61 0.867 3.171 -3.411 1.00 0.00 C ATOM 941 CG2 VAL A 61 3.322 3.235 -2.980 1.00 0.00 C ATOM 0 H VAL A 61 2.936 5.710 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 61 2.016 5.581 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 61 1.776 3.329 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.887 2.081 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.107 3.516 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.041 3.536 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.350 2.145 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.490 3.615 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.102 3.610 -2.317 1.00 0.00 H new ATOM 951 N SER A 62 0.051 6.681 -2.448 1.00 0.00 N ATOM 952 CA SER A 62 -1.194 7.282 -1.878 1.00 0.00 C ATOM 953 C SER A 62 -2.407 6.359 -2.070 1.00 0.00 C ATOM 954 O SER A 62 -2.301 5.274 -2.598 1.00 0.00 O ATOM 955 CB SER A 62 -1.464 8.620 -2.569 1.00 0.00 C ATOM 956 OG SER A 62 -2.448 8.439 -3.579 1.00 0.00 O ATOM 0 H SER A 62 0.358 7.086 -3.332 1.00 0.00 H new ATOM 0 HA SER A 62 -1.045 7.425 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.805 9.356 -1.841 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.544 9.008 -3.007 1.00 0.00 H new ATOM 0 HG SER A 62 -2.624 9.295 -4.022 1.00 0.00 H new ATOM 962 N PHE A 63 -3.562 6.815 -1.642 1.00 0.00 N ATOM 963 CA PHE A 63 -4.823 6.016 -1.781 1.00 0.00 C ATOM 964 C PHE A 63 -5.359 6.125 -3.194 1.00 0.00 C ATOM 965 O PHE A 63 -6.056 5.255 -3.644 1.00 0.00 O ATOM 966 CB PHE A 63 -5.890 6.552 -0.837 1.00 0.00 C ATOM 967 CG PHE A 63 -7.031 5.624 -1.004 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.801 4.267 -0.824 1.00 0.00 C ATOM 969 CD2 PHE A 63 -8.265 6.084 -1.437 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.810 3.350 -1.055 1.00 0.00 C ATOM 971 CE2 PHE A 63 -9.287 5.168 -1.694 1.00 0.00 C ATOM 972 CZ PHE A 63 -9.062 3.784 -1.499 1.00 0.00 C ATOM 0 H PHE A 63 -3.685 7.723 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.591 4.978 -1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.537 6.566 0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.169 7.574 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.828 3.925 -0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.434 7.142 -1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.630 2.298 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.249 5.515 -2.041 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.850 3.071 -1.691 1.00 0.00 H new ATOM 982 N GLU A 64 -5.075 7.165 -3.909 1.00 0.00 N ATOM 983 CA GLU A 64 -5.624 7.213 -5.283 1.00 0.00 C ATOM 984 C GLU A 64 -4.784 6.290 -6.177 1.00 0.00 C ATOM 985 O GLU A 64 -5.320 5.466 -6.889 1.00 0.00 O ATOM 986 CB GLU A 64 -5.648 8.646 -5.790 1.00 0.00 C ATOM 987 CG GLU A 64 -6.880 9.334 -5.196 1.00 0.00 C ATOM 988 CD GLU A 64 -7.033 10.735 -5.794 1.00 0.00 C ATOM 989 OE1 GLU A 64 -6.466 10.972 -6.847 1.00 0.00 O ATOM 990 OE2 GLU A 64 -7.718 11.546 -5.190 1.00 0.00 O ATOM 0 H GLU A 64 -4.507 7.960 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.655 6.860 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.739 9.170 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.688 8.665 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.772 8.742 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.783 9.400 -4.112 1.00 0.00 H new ATOM 997 N GLU A 65 -3.474 6.357 -6.104 1.00 0.00 N ATOM 998 CA GLU A 65 -2.662 5.401 -6.914 1.00 0.00 C ATOM 999 C GLU A 65 -3.122 4.011 -6.482 1.00 0.00 C ATOM 1000 O GLU A 65 -3.482 3.181 -7.279 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.171 5.568 -6.596 1.00 0.00 C ATOM 1002 CG GLU A 65 -0.709 6.972 -6.985 1.00 0.00 C ATOM 1003 CD GLU A 65 -0.975 7.205 -8.472 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -1.048 6.228 -9.202 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -1.099 8.356 -8.858 1.00 0.00 O ATOM 0 H GLU A 65 -2.946 7.016 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.793 5.568 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.996 5.400 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.589 4.822 -7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.236 7.717 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.354 7.088 -6.773 1.00 0.00 H new ATOM 1012 N PHE A 66 -3.149 3.827 -5.188 1.00 0.00 N ATOM 1013 CA PHE A 66 -3.630 2.576 -4.523 1.00 0.00 C ATOM 1014 C PHE A 66 -4.681 1.829 -5.347 1.00 0.00 C ATOM 1015 O PHE A 66 -4.777 0.627 -5.272 1.00 0.00 O ATOM 1016 CB PHE A 66 -4.292 3.057 -3.261 1.00 0.00 C ATOM 1017 CG PHE A 66 -4.575 1.907 -2.397 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -3.534 1.177 -1.849 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -5.893 1.547 -2.186 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -3.821 0.056 -1.091 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -6.185 0.452 -1.415 1.00 0.00 C ATOM 1022 CZ PHE A 66 -5.146 -0.298 -0.876 1.00 0.00 C ATOM 0 H PHE A 66 -2.838 4.538 -4.526 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.799 1.887 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.645 3.765 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.216 3.584 -3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.510 1.479 -2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.690 2.127 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.023 -0.538 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.212 0.175 -1.228 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.373 -1.170 -0.281 1.00 0.00 H new ATOM 1032 N GLN A 67 -5.476 2.510 -6.130 1.00 0.00 N ATOM 1033 CA GLN A 67 -6.528 1.764 -6.957 1.00 0.00 C ATOM 1034 C GLN A 67 -5.844 0.697 -7.790 1.00 0.00 C ATOM 1035 O GLN A 67 -6.469 -0.136 -8.412 1.00 0.00 O ATOM 1036 CB GLN A 67 -7.301 2.723 -7.895 1.00 0.00 C ATOM 1037 CG GLN A 67 -8.307 3.552 -7.087 1.00 0.00 C ATOM 1038 CD GLN A 67 -7.679 3.816 -5.746 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -7.168 4.881 -5.508 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -7.705 2.870 -4.853 1.00 0.00 N ATOM 0 H GLN A 67 -5.462 3.523 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.243 1.313 -6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.602 3.384 -8.408 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.822 2.152 -8.663 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.535 4.488 -7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.248 3.014 -6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.142 1.974 -5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.289 3.024 -3.935 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.563 0.696 -7.758 1.00 0.00 N ATOM 1050 CA VAL A 68 -3.786 -0.332 -8.480 1.00 0.00 C ATOM 1051 C VAL A 68 -2.840 -0.901 -7.459 1.00 0.00 C ATOM 1052 O VAL A 68 -1.647 -1.027 -7.643 1.00 0.00 O ATOM 1053 CB VAL A 68 -3.028 0.280 -9.658 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -2.854 -0.771 -10.756 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.822 1.466 -10.212 1.00 0.00 C ATOM 0 H VAL A 68 -4.000 1.379 -7.251 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.429 -1.102 -8.906 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.048 0.620 -9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.313 -0.334 -11.596 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.291 -1.618 -10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.833 -1.111 -11.093 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.283 1.904 -11.052 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.801 1.124 -10.548 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.948 2.216 -9.431 1.00 0.00 H new ATOM 1065 N LEU A 69 -3.427 -1.218 -6.364 1.00 0.00 N ATOM 1066 CA LEU A 69 -2.712 -1.771 -5.215 1.00 0.00 C ATOM 1067 C LEU A 69 -3.669 -2.717 -4.551 1.00 0.00 C ATOM 1068 O LEU A 69 -3.454 -3.908 -4.441 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.396 -0.644 -4.242 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.479 -1.209 -3.210 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -0.315 -1.966 -3.864 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.914 -0.108 -2.309 1.00 0.00 C ATOM 0 H LEU A 69 -4.430 -1.109 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.786 -2.263 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.927 0.193 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.308 -0.264 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.065 -1.900 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.338 -2.368 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.707 -2.784 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.251 -1.285 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.249 -0.550 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.357 0.607 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.733 0.404 -1.803 1.00 0.00 H new ATOM 1084 N VAL A 70 -4.750 -2.160 -4.151 1.00 0.00 N ATOM 1085 CA VAL A 70 -5.821 -2.956 -3.515 1.00 0.00 C ATOM 1086 C VAL A 70 -6.361 -3.920 -4.571 1.00 0.00 C ATOM 1087 O VAL A 70 -6.671 -5.060 -4.292 1.00 0.00 O ATOM 1088 CB VAL A 70 -6.916 -2.005 -3.009 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -7.054 -0.806 -3.946 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -8.257 -2.711 -2.945 1.00 0.00 C ATOM 0 H VAL A 70 -4.950 -1.163 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.452 -3.524 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.626 -1.673 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.834 -0.141 -3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.108 -0.267 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.319 -1.153 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.016 -2.017 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.531 -3.063 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.189 -3.560 -2.265 1.00 0.00 H new ATOM 1100 N LYS A 71 -6.450 -3.469 -5.793 1.00 0.00 N ATOM 1101 CA LYS A 71 -6.938 -4.356 -6.884 1.00 0.00 C ATOM 1102 C LYS A 71 -5.778 -5.230 -7.358 1.00 0.00 C ATOM 1103 O LYS A 71 -5.968 -6.350 -7.789 1.00 0.00 O ATOM 1104 CB LYS A 71 -7.453 -3.516 -8.057 1.00 0.00 C ATOM 1105 CG LYS A 71 -8.233 -2.311 -7.530 1.00 0.00 C ATOM 1106 CD LYS A 71 -9.733 -2.614 -7.573 1.00 0.00 C ATOM 1107 CE LYS A 71 -10.476 -1.660 -6.636 1.00 0.00 C ATOM 1108 NZ LYS A 71 -11.136 -2.442 -5.552 1.00 0.00 N ATOM 0 H LYS A 71 -6.205 -2.522 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.753 -4.977 -6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.617 -3.179 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.093 -4.123 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.926 -2.084 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.012 -1.430 -8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.107 -2.505 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.914 -3.647 -7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.780 -0.939 -6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.220 -1.092 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.641 -1.794 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.812 -3.113 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.416 -2.965 -5.014 1.00 0.00 H new ATOM 1122 N LYS A 72 -4.572 -4.727 -7.275 1.00 0.00 N ATOM 1123 CA LYS A 72 -3.401 -5.530 -7.715 1.00 0.00 C ATOM 1124 C LYS A 72 -3.288 -6.760 -6.817 1.00 0.00 C ATOM 1125 O LYS A 72 -2.584 -7.703 -7.118 1.00 0.00 O ATOM 1126 CB LYS A 72 -2.133 -4.685 -7.599 1.00 0.00 C ATOM 1127 CG LYS A 72 -1.285 -4.859 -8.860 1.00 0.00 C ATOM 1128 CD LYS A 72 -0.525 -6.184 -8.788 1.00 0.00 C ATOM 1129 CE LYS A 72 0.547 -6.217 -9.878 1.00 0.00 C ATOM 1130 NZ LYS A 72 -0.104 -6.127 -11.215 1.00 0.00 N ATOM 0 H LYS A 72 -4.352 -3.796 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.526 -5.841 -8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.394 -3.635 -7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.562 -4.985 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.922 -4.841 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.583 -4.030 -8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.065 -6.298 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.215 -7.018 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.243 -5.389 -9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.127 -7.137 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.577 -6.401 -11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.924 -6.767 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.421 -5.151 -11.382 1.00 0.00 H new ATOM 1144 N ILE A 73 -3.991 -6.755 -5.715 1.00 0.00 N ATOM 1145 CA ILE A 73 -3.947 -7.915 -4.786 1.00 0.00 C ATOM 1146 C ILE A 73 -4.437 -9.173 -5.497 1.00 0.00 C ATOM 1147 O ILE A 73 -4.288 -10.277 -5.013 1.00 0.00 O ATOM 1148 CB ILE A 73 -4.839 -7.613 -3.580 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.126 -6.621 -2.664 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.132 -8.900 -2.807 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.155 -5.842 -1.837 1.00 0.00 C ATOM 0 H ILE A 73 -4.597 -5.990 -5.419 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.922 -8.083 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.780 -7.186 -3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.441 -7.151 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.526 -5.931 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.767 -8.674 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.642 -9.609 -3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.196 -9.336 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.639 -5.136 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.822 -5.298 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.736 -6.537 -1.231 1.00 0.00 H new