USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 71 LYS NZ :NH3+ -114:sc= 0.0213 (180deg=-0.303) USER MOD Set 1.2: A 75 GLN : amide:sc= 0.41 K(o=0.43,f=-0.36) USER MOD Set 2.1: A 21 ASN : amide:sc= 1.05 K(o=3.4,f=1.3) USER MOD Set 2.2: A 22 GLN : amide:sc= 2.33 K(o=3.4,f=1) USER MOD Single : A 1 LYS N :NH3+ -144:sc= 0.0627 (180deg=-0.238) USER MOD Single : A 1 LYS NZ :NH3+ 154:sc= 0.296 (180deg=-0.373) USER MOD Single : A 2 SER OG : rot -74:sc= 1.19 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0134) USER MOD Single : A 13 TYR OH : rot 27:sc= 1.21 USER MOD Single : A 16 LYS NZ :NH3+ -124:sc= 0.282 (180deg=0) USER MOD Single : A 24 SER OG : rot -152:sc= 1.48 USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.13) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.101) USER MOD Single : A 33 GLN : amide:sc=-0.00727 K(o=-0.0073,f=-2.4!) USER MOD Single : A 34 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= -0.156 (180deg=-0.303) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -82:sc= 1.15 USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= -0.016 (180deg=-0.121) USER MOD Single : A 56 ASN : amide:sc= 0.648 K(o=0.65,f=-0.56) USER MOD Single : A 62 SER OG : rot -86:sc= 1.14 USER MOD Single : A 67 GLN : amide:sc= -1.03 K(o=-1,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.517) USER MOD Single : A 74 SER OG : rot 89:sc= 0.899 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.028 -5.169 -4.212 1.00 0.00 N ATOM 2 CA LYS A 1 -13.248 -4.013 -3.814 1.00 0.00 C ATOM 3 C LYS A 1 -13.531 -2.884 -4.808 1.00 0.00 C ATOM 4 O LYS A 1 -14.167 -3.114 -5.836 1.00 0.00 O ATOM 5 CB LYS A 1 -11.753 -4.370 -3.797 1.00 0.00 C ATOM 6 CG LYS A 1 -11.424 -5.629 -2.979 1.00 0.00 C ATOM 7 CD LYS A 1 -11.903 -5.640 -1.517 1.00 0.00 C ATOM 8 CE LYS A 1 -11.157 -4.671 -0.590 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.637 -3.284 -0.711 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.358 -5.674 -3.365 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.848 -4.859 -4.771 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.438 -5.805 -4.786 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.523 -3.692 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.412 -4.515 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.193 -3.528 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.859 -6.490 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.343 -5.768 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.965 -5.397 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.799 -6.651 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.272 -5.002 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.092 -4.704 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.455 -2.775 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.137 -2.810 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.659 -3.286 -0.905 1.00 0.00 H new ATOM 25 N SER A 2 -13.064 -1.668 -4.519 1.00 0.00 N ATOM 26 CA SER A 2 -13.231 -0.513 -5.387 1.00 0.00 C ATOM 27 C SER A 2 -12.238 0.563 -4.934 1.00 0.00 C ATOM 28 O SER A 2 -11.778 0.502 -3.787 1.00 0.00 O ATOM 29 CB SER A 2 -14.685 -0.021 -5.348 1.00 0.00 C ATOM 30 OG SER A 2 -15.047 0.344 -4.034 1.00 0.00 O ATOM 0 H SER A 2 -12.552 -1.460 -3.661 1.00 0.00 H new ATOM 0 HA SER A 2 -13.023 -0.771 -6.425 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.804 0.833 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.350 -0.805 -5.711 1.00 0.00 H new ATOM 0 HG SER A 2 -15.175 -0.464 -3.494 1.00 0.00 H new ATOM 36 N PRO A 3 -11.893 1.533 -5.802 1.00 0.00 N ATOM 37 CA PRO A 3 -10.954 2.598 -5.484 1.00 0.00 C ATOM 38 C PRO A 3 -11.224 3.243 -4.128 1.00 0.00 C ATOM 39 O PRO A 3 -10.305 3.399 -3.338 1.00 0.00 O ATOM 40 CB PRO A 3 -11.054 3.605 -6.633 1.00 0.00 C ATOM 41 CG PRO A 3 -11.422 2.712 -7.814 1.00 0.00 C ATOM 42 CD PRO A 3 -12.357 1.685 -7.176 1.00 0.00 C ATOM 0 HA PRO A 3 -9.943 2.201 -5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.813 4.364 -6.444 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.113 4.130 -6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.916 3.272 -8.608 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.544 2.241 -8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.392 2.026 -7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.319 0.735 -7.710 1.00 0.00 H new ATOM 50 N GLU A 4 -12.477 3.610 -3.845 1.00 0.00 N ATOM 51 CA GLU A 4 -12.894 4.234 -2.615 1.00 0.00 C ATOM 52 C GLU A 4 -12.480 3.408 -1.393 1.00 0.00 C ATOM 53 O GLU A 4 -11.894 3.928 -0.447 1.00 0.00 O ATOM 54 CB GLU A 4 -14.411 4.382 -2.716 1.00 0.00 C ATOM 55 CG GLU A 4 -14.831 5.390 -3.795 1.00 0.00 C ATOM 56 CD GLU A 4 -16.347 5.549 -3.831 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.987 4.712 -4.504 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.835 6.497 -3.178 1.00 0.00 O ATOM 0 H GLU A 4 -13.247 3.470 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.414 5.203 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.854 3.411 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.807 4.700 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.365 6.355 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.473 5.056 -4.769 1.00 0.00 H new ATOM 65 N GLU A 5 -12.776 2.108 -1.409 1.00 0.00 N ATOM 66 CA GLU A 5 -12.438 1.222 -0.303 1.00 0.00 C ATOM 67 C GLU A 5 -10.926 1.174 -0.137 1.00 0.00 C ATOM 68 O GLU A 5 -10.400 1.272 0.967 1.00 0.00 O ATOM 69 CB GLU A 5 -12.928 -0.202 -0.580 1.00 0.00 C ATOM 70 CG GLU A 5 -14.435 -0.264 -0.797 1.00 0.00 C ATOM 71 CD GLU A 5 -14.861 -1.661 -1.235 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.535 -2.613 -0.492 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.457 -1.755 -2.330 1.00 0.00 O ATOM 0 H GLU A 5 -13.253 1.646 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.917 1.605 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.420 -0.593 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.657 -0.846 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.951 0.007 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.729 0.465 -1.553 1.00 0.00 H new ATOM 80 N LEU A 6 -10.235 1.017 -1.263 1.00 0.00 N ATOM 81 CA LEU A 6 -8.783 0.901 -1.281 1.00 0.00 C ATOM 82 C LEU A 6 -8.164 2.192 -0.741 1.00 0.00 C ATOM 83 O LEU A 6 -7.181 2.160 -0.005 1.00 0.00 O ATOM 84 CB LEU A 6 -8.314 0.514 -2.690 1.00 0.00 C ATOM 85 CG LEU A 6 -8.779 -0.910 -3.062 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.748 -1.098 -4.581 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.905 -1.988 -2.409 1.00 0.00 C ATOM 0 H LEU A 6 -10.667 0.967 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.442 0.102 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.705 1.228 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.227 0.570 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.798 -1.021 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.078 -2.107 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.412 -0.373 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.732 -0.949 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.268 -2.975 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.873 -1.870 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.952 -1.887 -1.325 1.00 0.00 H new ATOM 99 N LYS A 7 -8.759 3.332 -1.084 1.00 0.00 N ATOM 100 CA LYS A 7 -8.361 4.642 -0.608 1.00 0.00 C ATOM 101 C LYS A 7 -8.580 4.714 0.899 1.00 0.00 C ATOM 102 O LYS A 7 -7.703 5.168 1.628 1.00 0.00 O ATOM 103 CB LYS A 7 -9.161 5.708 -1.364 1.00 0.00 C ATOM 104 CG LYS A 7 -8.518 7.094 -1.232 1.00 0.00 C ATOM 105 CD LYS A 7 -9.250 8.105 -2.119 1.00 0.00 C ATOM 106 CE LYS A 7 -8.567 9.474 -2.031 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.245 10.467 -2.881 1.00 0.00 N ATOM 0 H LYS A 7 -9.555 3.364 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.303 4.823 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.227 5.436 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.180 5.741 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.551 7.421 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.467 7.044 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.254 7.758 -3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.291 8.188 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.568 9.817 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.524 9.383 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.759 11.383 -2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.222 10.150 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.233 10.571 -2.573 1.00 0.00 H new ATOM 121 N GLY A 8 -9.742 4.253 1.368 1.00 0.00 N ATOM 122 CA GLY A 8 -10.070 4.238 2.781 1.00 0.00 C ATOM 123 C GLY A 8 -9.001 3.446 3.528 1.00 0.00 C ATOM 124 O GLY A 8 -8.403 3.941 4.475 1.00 0.00 O ATOM 0 H GLY A 8 -10.479 3.880 0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.123 5.256 3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.050 3.787 2.936 1.00 0.00 H new ATOM 128 N ILE A 9 -8.757 2.216 3.079 1.00 0.00 N ATOM 129 CA ILE A 9 -7.764 1.304 3.632 1.00 0.00 C ATOM 130 C ILE A 9 -6.391 1.990 3.661 1.00 0.00 C ATOM 131 O ILE A 9 -5.768 2.093 4.717 1.00 0.00 O ATOM 132 CB ILE A 9 -7.787 0.012 2.794 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.102 -0.762 3.007 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.562 -0.873 3.039 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.103 -1.672 4.241 1.00 0.00 C ATOM 0 H ILE A 9 -9.266 1.815 2.291 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.990 1.037 4.664 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.739 0.312 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.921 -0.048 3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.301 -1.367 2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.631 -1.769 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.658 -0.323 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.523 -1.158 4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.064 -2.180 4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.308 -2.412 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.937 -1.072 5.136 1.00 0.00 H new ATOM 147 N PHE A 10 -5.924 2.465 2.502 1.00 0.00 N ATOM 148 CA PHE A 10 -4.655 3.169 2.377 1.00 0.00 C ATOM 149 C PHE A 10 -4.561 4.267 3.439 1.00 0.00 C ATOM 150 O PHE A 10 -3.607 4.301 4.207 1.00 0.00 O ATOM 151 CB PHE A 10 -4.546 3.784 0.972 1.00 0.00 C ATOM 152 CG PHE A 10 -3.391 4.752 0.794 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.529 6.071 1.271 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.108 4.272 0.482 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.422 6.707 1.848 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.986 5.052 0.807 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.140 6.197 1.606 1.00 0.00 C ATOM 0 H PHE A 10 -6.425 2.368 1.619 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.836 2.466 2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.444 2.979 0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.477 4.303 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.476 6.585 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.986 3.314 -0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.555 7.579 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.008 4.772 0.444 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.274 6.682 2.032 1.00 0.00 H new ATOM 167 N GLU A 11 -5.549 5.165 3.471 1.00 0.00 N ATOM 168 CA GLU A 11 -5.574 6.302 4.376 1.00 0.00 C ATOM 169 C GLU A 11 -5.558 5.850 5.837 1.00 0.00 C ATOM 170 O GLU A 11 -4.785 6.369 6.638 1.00 0.00 O ATOM 171 CB GLU A 11 -6.790 7.186 4.057 1.00 0.00 C ATOM 172 CG GLU A 11 -6.602 8.630 4.553 1.00 0.00 C ATOM 173 CD GLU A 11 -5.592 9.442 3.733 1.00 0.00 C ATOM 174 OE1 GLU A 11 -5.161 8.942 2.671 1.00 0.00 O ATOM 175 OE2 GLU A 11 -5.298 10.573 4.176 1.00 0.00 O ATOM 0 H GLU A 11 -6.363 5.116 2.858 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.672 6.896 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.961 7.192 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.680 6.758 4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.565 9.139 4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.276 8.607 5.593 1.00 0.00 H new ATOM 182 N LYS A 12 -6.405 4.880 6.189 1.00 0.00 N ATOM 183 CA LYS A 12 -6.514 4.344 7.519 1.00 0.00 C ATOM 184 C LYS A 12 -5.144 3.875 7.997 1.00 0.00 C ATOM 185 O LYS A 12 -4.719 4.268 9.078 1.00 0.00 O ATOM 186 CB LYS A 12 -7.530 3.203 7.476 1.00 0.00 C ATOM 187 CG LYS A 12 -8.972 3.719 7.563 1.00 0.00 C ATOM 188 CD LYS A 12 -9.995 2.614 7.256 1.00 0.00 C ATOM 189 CE LYS A 12 -9.861 1.377 8.154 1.00 0.00 C ATOM 190 NZ LYS A 12 -9.957 1.719 9.584 1.00 0.00 N ATOM 0 H LYS A 12 -7.046 4.443 5.527 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.857 5.098 8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.402 2.637 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.340 2.516 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.156 4.117 8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.106 4.543 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.000 3.022 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.885 2.309 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.641 0.659 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.905 0.891 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.929 0.848 10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.159 2.331 9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.851 2.220 9.762 1.00 0.00 H new ATOM 204 N TYR A 13 -4.444 3.053 7.209 1.00 0.00 N ATOM 205 CA TYR A 13 -3.127 2.604 7.630 1.00 0.00 C ATOM 206 C TYR A 13 -2.143 3.771 7.608 1.00 0.00 C ATOM 207 O TYR A 13 -1.427 3.969 8.586 1.00 0.00 O ATOM 208 CB TYR A 13 -2.673 1.379 6.840 1.00 0.00 C ATOM 209 CG TYR A 13 -3.287 0.095 7.374 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.611 -0.232 7.033 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.527 -0.801 8.154 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.174 -1.445 7.456 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.125 -1.973 8.650 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.441 -2.305 8.290 1.00 0.00 C ATOM 215 OH TYR A 13 -4.974 -3.486 8.708 1.00 0.00 O ATOM 0 H TYR A 13 -4.759 2.698 6.306 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.172 2.263 8.664 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.946 1.502 5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.586 1.305 6.880 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.198 0.455 6.442 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.490 -0.588 8.369 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.170 -1.717 7.141 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.569 -2.621 9.311 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.637 -3.795 8.056 1.00 0.00 H new ATOM 225 N ALA A 14 -2.096 4.571 6.536 1.00 0.00 N ATOM 226 CA ALA A 14 -1.181 5.708 6.483 1.00 0.00 C ATOM 227 C ALA A 14 -1.277 6.578 7.742 1.00 0.00 C ATOM 228 O ALA A 14 -0.265 7.013 8.284 1.00 0.00 O ATOM 229 CB ALA A 14 -1.468 6.523 5.224 1.00 0.00 C ATOM 0 H ALA A 14 -2.675 4.451 5.705 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.159 5.332 6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.788 7.374 5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.324 5.896 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.497 6.882 5.250 1.00 0.00 H new ATOM 235 N ALA A 15 -2.499 6.818 8.223 1.00 0.00 N ATOM 236 CA ALA A 15 -2.777 7.641 9.390 1.00 0.00 C ATOM 237 C ALA A 15 -2.148 7.140 10.693 1.00 0.00 C ATOM 238 O ALA A 15 -2.098 7.904 11.653 1.00 0.00 O ATOM 239 CB ALA A 15 -4.291 7.809 9.546 1.00 0.00 C ATOM 0 H ALA A 15 -3.341 6.432 7.796 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.301 8.604 9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.501 8.425 10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.697 8.291 8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.755 6.831 9.673 1.00 0.00 H new ATOM 245 N LYS A 16 -1.673 5.893 10.772 1.00 0.00 N ATOM 246 CA LYS A 16 -1.060 5.409 12.000 1.00 0.00 C ATOM 247 C LYS A 16 0.259 6.141 12.257 1.00 0.00 C ATOM 248 O LYS A 16 0.571 6.468 13.399 1.00 0.00 O ATOM 249 CB LYS A 16 -0.834 3.892 11.924 1.00 0.00 C ATOM 250 CG LYS A 16 -1.599 3.117 13.002 1.00 0.00 C ATOM 251 CD LYS A 16 -3.129 3.167 12.867 1.00 0.00 C ATOM 252 CE LYS A 16 -3.588 2.530 11.554 1.00 0.00 C ATOM 253 NZ LYS A 16 -5.056 2.469 11.463 1.00 0.00 N ATOM 0 H LYS A 16 -1.703 5.215 10.011 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.734 5.612 12.832 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.140 3.534 10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.231 3.684 12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.280 2.075 12.976 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.321 3.511 13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.588 2.646 13.707 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.467 4.202 12.910 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.195 3.103 10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.176 1.524 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.353 1.486 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.474 2.815 12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.380 3.063 10.673 1.00 0.00 H new ATOM 267 N GLU A 17 1.032 6.383 11.196 1.00 0.00 N ATOM 268 CA GLU A 17 2.323 7.053 11.271 1.00 0.00 C ATOM 269 C GLU A 17 2.210 8.501 10.780 1.00 0.00 C ATOM 270 O GLU A 17 1.148 8.965 10.372 1.00 0.00 O ATOM 271 CB GLU A 17 3.371 6.226 10.510 1.00 0.00 C ATOM 272 CG GLU A 17 3.662 4.926 11.281 1.00 0.00 C ATOM 273 CD GLU A 17 4.709 4.051 10.599 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.661 4.631 10.033 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.555 2.813 10.653 1.00 0.00 O ATOM 0 H GLU A 17 0.770 6.113 10.248 1.00 0.00 H new ATOM 0 HA GLU A 17 2.655 7.117 12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.008 5.993 9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.288 6.803 10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.003 5.175 12.286 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.737 4.359 11.389 1.00 0.00 H new ATOM 282 N GLY A 18 3.326 9.230 10.839 1.00 0.00 N ATOM 283 CA GLY A 18 3.387 10.622 10.430 1.00 0.00 C ATOM 284 C GLY A 18 2.990 10.793 8.963 1.00 0.00 C ATOM 285 O GLY A 18 3.477 10.063 8.106 1.00 0.00 O ATOM 0 H GLY A 18 4.216 8.862 11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.724 11.216 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.397 11.003 10.582 1.00 0.00 H new ATOM 289 N ASP A 19 2.120 11.771 8.698 1.00 0.00 N ATOM 290 CA ASP A 19 1.603 12.141 7.386 1.00 0.00 C ATOM 291 C ASP A 19 0.612 11.094 6.849 1.00 0.00 C ATOM 292 O ASP A 19 1.034 10.115 6.235 1.00 0.00 O ATOM 293 CB ASP A 19 2.735 12.431 6.388 1.00 0.00 C ATOM 294 CG ASP A 19 2.223 13.143 5.140 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.006 13.033 4.864 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.065 13.797 4.486 1.00 0.00 O ATOM 0 H ASP A 19 1.738 12.358 9.440 1.00 0.00 H new ATOM 0 HA ASP A 19 1.046 13.070 7.509 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.496 13.045 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.215 11.495 6.101 1.00 0.00 H new ATOM 301 N PRO A 20 -0.708 11.289 7.035 1.00 0.00 N ATOM 302 CA PRO A 20 -1.718 10.336 6.588 1.00 0.00 C ATOM 303 C PRO A 20 -1.752 10.117 5.072 1.00 0.00 C ATOM 304 O PRO A 20 -2.493 9.256 4.608 1.00 0.00 O ATOM 305 CB PRO A 20 -3.056 10.852 7.131 1.00 0.00 C ATOM 306 CG PRO A 20 -2.820 12.349 7.289 1.00 0.00 C ATOM 307 CD PRO A 20 -1.348 12.422 7.688 1.00 0.00 C ATOM 0 HA PRO A 20 -1.481 9.344 6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.875 10.645 6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.312 10.383 8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.015 12.889 6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.467 12.782 8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.901 13.363 7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.232 12.367 8.770 1.00 0.00 H new ATOM 315 N ASN A 21 -0.972 10.855 4.279 1.00 0.00 N ATOM 316 CA ASN A 21 -0.919 10.648 2.848 1.00 0.00 C ATOM 317 C ASN A 21 0.109 9.570 2.497 1.00 0.00 C ATOM 318 O ASN A 21 0.053 9.053 1.383 1.00 0.00 O ATOM 319 CB ASN A 21 -0.572 11.976 2.175 1.00 0.00 C ATOM 320 CG ASN A 21 -0.370 11.818 0.675 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.312 11.663 -0.088 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.871 11.853 0.221 1.00 0.00 N ATOM 0 H ASN A 21 -0.368 11.604 4.616 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.888 10.302 2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.370 12.696 2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.335 12.383 2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.052 11.750 -0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.648 11.983 0.869 1.00 0.00 H new ATOM 329 N GLN A 22 1.040 9.219 3.402 1.00 0.00 N ATOM 330 CA GLN A 22 2.080 8.235 3.111 1.00 0.00 C ATOM 331 C GLN A 22 2.002 6.939 3.922 1.00 0.00 C ATOM 332 O GLN A 22 1.654 6.930 5.096 1.00 0.00 O ATOM 333 CB GLN A 22 3.486 8.809 3.340 1.00 0.00 C ATOM 334 CG GLN A 22 4.068 9.692 2.229 1.00 0.00 C ATOM 335 CD GLN A 22 3.858 11.150 2.584 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.074 11.857 1.965 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.560 11.614 3.603 1.00 0.00 N ATOM 0 H GLN A 22 1.087 9.608 4.344 1.00 0.00 H new ATOM 0 HA GLN A 22 1.898 7.996 2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.468 9.392 4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.169 7.976 3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.131 9.486 2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.586 9.465 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.206 11.000 4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.456 12.586 3.893 1.00 0.00 H new ATOM 346 N LEU A 23 2.388 5.841 3.267 1.00 0.00 N ATOM 347 CA LEU A 23 2.528 4.510 3.840 1.00 0.00 C ATOM 348 C LEU A 23 4.018 4.195 3.953 1.00 0.00 C ATOM 349 O LEU A 23 4.672 3.966 2.940 1.00 0.00 O ATOM 350 CB LEU A 23 1.907 3.473 2.901 1.00 0.00 C ATOM 351 CG LEU A 23 0.422 3.223 3.135 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.061 2.239 2.063 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.102 2.623 4.506 1.00 0.00 C ATOM 0 H LEU A 23 2.622 5.863 2.274 1.00 0.00 H new ATOM 0 HA LEU A 23 2.035 4.478 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.050 3.801 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.444 2.531 3.013 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.079 4.190 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.123 2.040 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.099 2.670 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.497 1.307 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.974 2.475 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.610 1.665 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.441 3.302 5.288 1.00 0.00 H new ATOM 365 N SER A 24 4.580 4.164 5.157 1.00 0.00 N ATOM 366 CA SER A 24 5.990 3.835 5.316 1.00 0.00 C ATOM 367 C SER A 24 6.196 2.342 5.042 1.00 0.00 C ATOM 368 O SER A 24 5.235 1.591 4.918 1.00 0.00 O ATOM 369 CB SER A 24 6.432 4.193 6.737 1.00 0.00 C ATOM 370 OG SER A 24 5.793 3.332 7.658 1.00 0.00 O ATOM 0 H SER A 24 4.086 4.361 6.028 1.00 0.00 H new ATOM 0 HA SER A 24 6.592 4.404 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.514 4.101 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.181 5.230 6.957 1.00 0.00 H new ATOM 0 HG SER A 24 5.697 3.788 8.520 1.00 0.00 H new ATOM 376 N LYS A 25 7.449 1.893 4.971 1.00 0.00 N ATOM 377 CA LYS A 25 7.787 0.483 4.804 1.00 0.00 C ATOM 378 C LYS A 25 7.139 -0.304 5.946 1.00 0.00 C ATOM 379 O LYS A 25 6.465 -1.313 5.736 1.00 0.00 O ATOM 380 CB LYS A 25 9.320 0.402 4.749 1.00 0.00 C ATOM 381 CG LYS A 25 9.999 -0.968 4.826 1.00 0.00 C ATOM 382 CD LYS A 25 9.405 -2.027 3.893 1.00 0.00 C ATOM 383 CE LYS A 25 10.456 -3.107 3.600 1.00 0.00 C ATOM 384 NZ LYS A 25 10.878 -3.808 4.826 1.00 0.00 N ATOM 0 H LYS A 25 8.264 2.504 5.028 1.00 0.00 H new ATOM 0 HA LYS A 25 7.405 0.038 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.640 0.875 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.710 1.008 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.057 -0.848 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.939 -1.332 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.525 -2.477 4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.077 -1.563 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.048 -3.828 2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.324 -2.650 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.469 -4.626 4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.425 -3.158 5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.038 -4.135 5.345 1.00 0.00 H new ATOM 398 N GLU A 26 7.327 0.198 7.166 1.00 0.00 N ATOM 399 CA GLU A 26 6.746 -0.376 8.368 1.00 0.00 C ATOM 400 C GLU A 26 5.219 -0.398 8.252 1.00 0.00 C ATOM 401 O GLU A 26 4.591 -1.423 8.494 1.00 0.00 O ATOM 402 CB GLU A 26 7.216 0.420 9.596 1.00 0.00 C ATOM 403 CG GLU A 26 6.711 -0.174 10.919 1.00 0.00 C ATOM 404 CD GLU A 26 7.184 -1.610 11.129 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.418 -1.792 11.204 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.308 -2.500 11.199 1.00 0.00 O ATOM 0 H GLU A 26 7.896 1.026 7.344 1.00 0.00 H new ATOM 0 HA GLU A 26 7.080 -1.407 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.306 0.450 9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.870 1.450 9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.057 0.444 11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.621 -0.147 10.934 1.00 0.00 H new ATOM 413 N GLU A 27 4.596 0.723 7.884 1.00 0.00 N ATOM 414 CA GLU A 27 3.146 0.768 7.776 1.00 0.00 C ATOM 415 C GLU A 27 2.632 -0.219 6.724 1.00 0.00 C ATOM 416 O GLU A 27 1.648 -0.927 6.943 1.00 0.00 O ATOM 417 CB GLU A 27 2.691 2.204 7.495 1.00 0.00 C ATOM 418 CG GLU A 27 1.194 2.398 7.762 1.00 0.00 C ATOM 419 CD GLU A 27 0.791 2.078 9.199 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.512 2.538 10.108 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.224 1.367 9.362 1.00 0.00 O ATOM 0 H GLU A 27 5.069 1.598 7.660 1.00 0.00 H new ATOM 0 HA GLU A 27 2.712 0.456 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.262 2.893 8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.909 2.456 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.922 3.429 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.625 1.763 7.082 1.00 0.00 H new ATOM 428 N LEU A 28 3.298 -0.275 5.570 1.00 0.00 N ATOM 429 CA LEU A 28 2.918 -1.174 4.500 1.00 0.00 C ATOM 430 C LEU A 28 2.943 -2.618 4.998 1.00 0.00 C ATOM 431 O LEU A 28 2.061 -3.391 4.637 1.00 0.00 O ATOM 432 CB LEU A 28 3.837 -0.978 3.290 1.00 0.00 C ATOM 433 CG LEU A 28 3.272 -1.642 2.024 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.053 -0.904 1.461 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.349 -1.729 0.943 1.00 0.00 C ATOM 0 H LEU A 28 4.112 0.303 5.359 1.00 0.00 H new ATOM 0 HA LEU A 28 1.901 -0.946 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.976 0.088 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.820 -1.395 3.510 1.00 0.00 H new ATOM 0 HG LEU A 28 2.949 -2.641 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.697 -1.418 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.261 -0.886 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.333 0.118 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.934 -2.201 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.696 -0.726 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.187 -2.321 1.311 1.00 0.00 H new ATOM 447 N LYS A 29 3.932 -2.983 5.825 1.00 0.00 N ATOM 448 CA LYS A 29 4.027 -4.336 6.371 1.00 0.00 C ATOM 449 C LYS A 29 2.687 -4.739 6.982 1.00 0.00 C ATOM 450 O LYS A 29 2.027 -5.642 6.472 1.00 0.00 O ATOM 451 CB LYS A 29 5.171 -4.460 7.396 1.00 0.00 C ATOM 452 CG LYS A 29 5.163 -5.768 8.205 1.00 0.00 C ATOM 453 CD LYS A 29 5.516 -7.000 7.361 1.00 0.00 C ATOM 454 CE LYS A 29 5.075 -8.296 8.049 1.00 0.00 C ATOM 455 NZ LYS A 29 5.630 -8.420 9.408 1.00 0.00 N ATOM 0 H LYS A 29 4.677 -2.356 6.129 1.00 0.00 H new ATOM 0 HA LYS A 29 4.263 -5.020 5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.123 -4.378 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.115 -3.619 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.873 -5.683 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.177 -5.909 8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.037 -6.923 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.592 -7.027 7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.987 -8.327 8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.391 -9.150 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.449 -9.378 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.655 -8.248 9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.178 -7.722 10.033 1.00 0.00 H new ATOM 469 N LEU A 30 2.286 -4.076 8.072 1.00 0.00 N ATOM 470 CA LEU A 30 1.032 -4.377 8.745 1.00 0.00 C ATOM 471 C LEU A 30 -0.134 -4.373 7.757 1.00 0.00 C ATOM 472 O LEU A 30 -0.952 -5.295 7.762 1.00 0.00 O ATOM 473 CB LEU A 30 0.740 -3.467 9.954 1.00 0.00 C ATOM 474 CG LEU A 30 1.599 -2.213 10.171 1.00 0.00 C ATOM 475 CD1 LEU A 30 0.832 -1.219 11.051 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.917 -2.547 10.879 1.00 0.00 C ATOM 0 H LEU A 30 2.821 -3.323 8.504 1.00 0.00 H new ATOM 0 HA LEU A 30 1.145 -5.382 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.299 -3.145 9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.820 -4.079 10.852 1.00 0.00 H new ATOM 0 HG LEU A 30 1.818 -1.790 9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.439 -0.327 11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.100 -0.942 10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.611 -1.680 12.013 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.498 -1.635 11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.705 -2.991 11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.486 -3.253 10.274 1.00 0.00 H new ATOM 488 N LEU A 31 -0.208 -3.341 6.913 1.00 0.00 N ATOM 489 CA LEU A 31 -1.262 -3.209 5.918 1.00 0.00 C ATOM 490 C LEU A 31 -1.416 -4.493 5.114 1.00 0.00 C ATOM 491 O LEU A 31 -2.478 -5.108 5.090 1.00 0.00 O ATOM 492 CB LEU A 31 -0.953 -2.046 4.968 1.00 0.00 C ATOM 493 CG LEU A 31 -2.204 -1.377 4.381 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.818 -0.511 3.186 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.303 -2.336 3.945 1.00 0.00 C ATOM 0 H LEU A 31 0.465 -2.575 6.905 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.196 -3.010 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.369 -1.297 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.331 -2.412 4.151 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.615 -0.785 5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.711 -0.040 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.116 0.259 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.351 -1.133 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.143 -1.769 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.918 -3.005 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.636 -2.922 4.802 1.00 0.00 H new ATOM 507 N LEU A 32 -0.342 -4.890 4.441 1.00 0.00 N ATOM 508 CA LEU A 32 -0.364 -6.057 3.587 1.00 0.00 C ATOM 509 C LEU A 32 -0.634 -7.306 4.397 1.00 0.00 C ATOM 510 O LEU A 32 -1.491 -8.102 4.032 1.00 0.00 O ATOM 511 CB LEU A 32 0.944 -6.205 2.815 1.00 0.00 C ATOM 512 CG LEU A 32 1.225 -5.022 1.883 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.665 -5.136 1.386 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.274 -4.966 0.682 1.00 0.00 C ATOM 0 H LEU A 32 0.558 -4.412 4.475 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.171 -5.923 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.767 -6.307 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.912 -7.123 2.228 1.00 0.00 H new ATOM 0 HG LEU A 32 1.068 -4.104 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.887 -4.302 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.346 -5.112 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.791 -6.075 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.524 -4.107 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.374 -5.880 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.753 -4.872 1.035 1.00 0.00 H new ATOM 526 N GLN A 33 0.091 -7.483 5.497 1.00 0.00 N ATOM 527 CA GLN A 33 -0.061 -8.667 6.318 1.00 0.00 C ATOM 528 C GLN A 33 -1.509 -8.872 6.769 1.00 0.00 C ATOM 529 O GLN A 33 -1.991 -10.001 6.805 1.00 0.00 O ATOM 530 CB GLN A 33 0.979 -8.652 7.447 1.00 0.00 C ATOM 531 CG GLN A 33 0.438 -8.424 8.861 1.00 0.00 C ATOM 532 CD GLN A 33 1.575 -8.448 9.879 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.263 -7.460 10.095 1.00 0.00 O ATOM 534 NE2 GLN A 33 1.810 -9.581 10.524 1.00 0.00 N ATOM 0 H GLN A 33 0.787 -6.819 5.836 1.00 0.00 H new ATOM 0 HA GLN A 33 0.149 -9.556 5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.513 -9.602 7.434 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.709 -7.873 7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.080 -7.466 8.908 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.293 -9.194 9.106 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.233 -10.402 10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.568 -9.633 11.205 1.00 0.00 H new ATOM 543 N THR A 34 -2.194 -7.783 7.117 1.00 0.00 N ATOM 544 CA THR A 34 -3.569 -7.835 7.590 1.00 0.00 C ATOM 545 C THR A 34 -4.592 -7.892 6.447 1.00 0.00 C ATOM 546 O THR A 34 -5.449 -8.771 6.430 1.00 0.00 O ATOM 547 CB THR A 34 -3.826 -6.635 8.515 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.767 -6.509 9.442 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.131 -6.795 9.300 1.00 0.00 C ATOM 0 H THR A 34 -1.807 -6.840 7.077 1.00 0.00 H new ATOM 0 HA THR A 34 -3.701 -8.763 8.147 1.00 0.00 H new ATOM 0 HB THR A 34 -3.898 -5.749 7.884 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.995 -6.096 9.002 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.278 -5.927 9.943 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.966 -6.877 8.604 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.079 -7.695 9.912 1.00 0.00 H new ATOM 557 N GLU A 35 -4.534 -6.942 5.509 1.00 0.00 N ATOM 558 CA GLU A 35 -5.515 -6.796 4.437 1.00 0.00 C ATOM 559 C GLU A 35 -5.187 -7.539 3.136 1.00 0.00 C ATOM 560 O GLU A 35 -6.109 -7.881 2.402 1.00 0.00 O ATOM 561 CB GLU A 35 -5.707 -5.303 4.127 1.00 0.00 C ATOM 562 CG GLU A 35 -5.936 -4.407 5.356 1.00 0.00 C ATOM 563 CD GLU A 35 -7.170 -4.765 6.174 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.158 -5.230 5.563 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.109 -4.528 7.400 1.00 0.00 O ATOM 0 H GLU A 35 -3.791 -6.243 5.475 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.426 -7.260 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.828 -4.943 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.557 -5.194 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.059 -4.464 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.022 -3.372 5.025 1.00 0.00 H new ATOM 572 N PHE A 36 -3.909 -7.774 2.822 1.00 0.00 N ATOM 573 CA PHE A 36 -3.499 -8.399 1.563 1.00 0.00 C ATOM 574 C PHE A 36 -2.485 -9.541 1.743 1.00 0.00 C ATOM 575 O PHE A 36 -1.438 -9.498 1.103 1.00 0.00 O ATOM 576 CB PHE A 36 -2.893 -7.318 0.649 1.00 0.00 C ATOM 577 CG PHE A 36 -3.778 -6.126 0.337 1.00 0.00 C ATOM 578 CD1 PHE A 36 -4.606 -6.136 -0.799 1.00 0.00 C ATOM 579 CD2 PHE A 36 -3.688 -4.960 1.116 1.00 0.00 C ATOM 580 CE1 PHE A 36 -5.349 -4.996 -1.144 1.00 0.00 C ATOM 581 CE2 PHE A 36 -4.421 -3.814 0.766 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.247 -3.828 -0.368 1.00 0.00 C ATOM 0 H PHE A 36 -3.130 -7.535 3.435 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.390 -8.844 1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.977 -6.952 1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.607 -7.787 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.671 -7.025 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.052 -4.945 1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.999 -5.016 -2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.349 -2.922 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.803 -2.944 -0.644 1.00 0.00 H new ATOM 592 N PRO A 37 -2.750 -10.565 2.569 1.00 0.00 N ATOM 593 CA PRO A 37 -1.804 -11.650 2.797 1.00 0.00 C ATOM 594 C PRO A 37 -1.486 -12.453 1.526 1.00 0.00 C ATOM 595 O PRO A 37 -0.346 -12.492 1.078 1.00 0.00 O ATOM 596 CB PRO A 37 -2.425 -12.506 3.908 1.00 0.00 C ATOM 597 CG PRO A 37 -3.921 -12.191 3.841 1.00 0.00 C ATOM 598 CD PRO A 37 -3.947 -10.736 3.373 1.00 0.00 C ATOM 0 HA PRO A 37 -0.830 -11.263 3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.235 -13.567 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.009 -12.253 4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.441 -12.848 3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.402 -12.311 4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.844 -10.527 2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.951 -10.051 4.221 1.00 0.00 H new ATOM 606 N SER A 38 -2.482 -13.103 0.925 1.00 0.00 N ATOM 607 CA SER A 38 -2.310 -13.922 -0.274 1.00 0.00 C ATOM 608 C SER A 38 -1.933 -13.047 -1.470 1.00 0.00 C ATOM 609 O SER A 38 -1.070 -13.367 -2.287 1.00 0.00 O ATOM 610 CB SER A 38 -3.628 -14.665 -0.506 1.00 0.00 C ATOM 611 OG SER A 38 -4.693 -13.728 -0.482 1.00 0.00 O ATOM 0 H SER A 38 -3.444 -13.075 1.262 1.00 0.00 H new ATOM 0 HA SER A 38 -1.499 -14.639 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.604 -15.185 -1.464 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.775 -15.422 0.264 1.00 0.00 H new ATOM 0 HG SER A 38 -5.542 -14.194 -0.631 1.00 0.00 H new ATOM 617 N LEU A 39 -2.605 -11.904 -1.534 1.00 0.00 N ATOM 618 CA LEU A 39 -2.499 -10.833 -2.493 1.00 0.00 C ATOM 619 C LEU A 39 -1.054 -10.348 -2.662 1.00 0.00 C ATOM 620 O LEU A 39 -0.736 -9.730 -3.675 1.00 0.00 O ATOM 621 CB LEU A 39 -3.455 -9.775 -1.963 1.00 0.00 C ATOM 622 CG LEU A 39 -4.917 -10.184 -2.245 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.835 -9.918 -1.048 1.00 0.00 C ATOM 624 CD2 LEU A 39 -5.446 -9.457 -3.483 1.00 0.00 C ATOM 0 H LEU A 39 -3.314 -11.691 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.768 -11.134 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.307 -9.646 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.242 -8.815 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.919 -11.259 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.852 -10.222 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.485 -10.488 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.822 -8.855 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.478 -9.757 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.405 -8.380 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.833 -9.715 -4.346 1.00 0.00 H new ATOM 636 N LEU A 40 -0.169 -10.657 -1.706 1.00 0.00 N ATOM 637 CA LEU A 40 1.257 -10.339 -1.786 1.00 0.00 C ATOM 638 C LEU A 40 1.883 -10.902 -3.063 1.00 0.00 C ATOM 639 O LEU A 40 2.925 -10.402 -3.486 1.00 0.00 O ATOM 640 CB LEU A 40 2.030 -10.966 -0.618 1.00 0.00 C ATOM 641 CG LEU A 40 1.898 -10.212 0.703 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.678 -10.966 1.786 1.00 0.00 C ATOM 643 CD2 LEU A 40 2.438 -8.785 0.590 1.00 0.00 C ATOM 0 H LEU A 40 -0.429 -11.140 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 40 1.324 -9.251 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.681 -11.989 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.085 -11.023 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 40 0.841 -10.153 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.590 -10.435 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.271 -11.971 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.728 -11.028 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.328 -8.277 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.492 -8.816 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.879 -8.244 -0.173 1.00 0.00 H new ATOM 655 N LYS A 41 1.265 -11.907 -3.699 1.00 0.00 N ATOM 656 CA LYS A 41 1.733 -12.397 -4.994 1.00 0.00 C ATOM 657 C LYS A 41 1.934 -11.183 -5.916 1.00 0.00 C ATOM 658 O LYS A 41 2.897 -11.119 -6.677 1.00 0.00 O ATOM 659 CB LYS A 41 0.719 -13.386 -5.584 1.00 0.00 C ATOM 660 CG LYS A 41 0.678 -14.718 -4.816 1.00 0.00 C ATOM 661 CD LYS A 41 1.859 -15.656 -5.125 1.00 0.00 C ATOM 662 CE LYS A 41 1.571 -16.646 -6.263 1.00 0.00 C ATOM 663 NZ LYS A 41 1.320 -15.973 -7.550 1.00 0.00 N ATOM 0 H LYS A 41 0.444 -12.392 -3.336 1.00 0.00 H new ATOM 0 HA LYS A 41 2.677 -12.930 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.273 -12.934 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.970 -13.579 -6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.664 -14.509 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.253 -15.233 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.731 -15.056 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.115 -16.214 -4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.417 -17.325 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.705 -17.254 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.299 -16.679 -8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.406 -15.479 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.078 -15.285 -7.736 1.00 0.00 H new ATOM 677 N GLY A 42 1.046 -10.189 -5.802 1.00 0.00 N ATOM 678 CA GLY A 42 1.118 -8.926 -6.511 1.00 0.00 C ATOM 679 C GLY A 42 2.192 -8.046 -5.869 1.00 0.00 C ATOM 680 O GLY A 42 1.892 -6.973 -5.354 1.00 0.00 O ATOM 0 H GLY A 42 0.233 -10.253 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.353 -9.098 -7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.152 -8.422 -6.479 1.00 0.00 H new ATOM 684 N GLY A 43 3.443 -8.506 -5.888 1.00 0.00 N ATOM 685 CA GLY A 43 4.572 -7.812 -5.284 1.00 0.00 C ATOM 686 C GLY A 43 5.726 -8.770 -4.996 1.00 0.00 C ATOM 687 O GLY A 43 6.890 -8.377 -5.039 1.00 0.00 O ATOM 0 H GLY A 43 3.701 -9.387 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.913 -7.020 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.254 -7.334 -4.357 1.00 0.00 H new ATOM 691 N SER A 44 5.410 -10.031 -4.694 1.00 0.00 N ATOM 692 CA SER A 44 6.353 -11.108 -4.415 1.00 0.00 C ATOM 693 C SER A 44 6.935 -10.961 -3.009 1.00 0.00 C ATOM 694 O SER A 44 6.758 -11.849 -2.179 1.00 0.00 O ATOM 695 CB SER A 44 7.430 -11.224 -5.506 1.00 0.00 C ATOM 696 OG SER A 44 8.125 -12.448 -5.378 1.00 0.00 O ATOM 0 H SER A 44 4.440 -10.341 -4.635 1.00 0.00 H new ATOM 0 HA SER A 44 5.812 -12.054 -4.438 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.968 -11.161 -6.491 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.129 -10.391 -5.428 1.00 0.00 H new ATOM 0 HG SER A 44 8.807 -12.512 -6.079 1.00 0.00 H new ATOM 702 N THR A 45 7.614 -9.847 -2.724 1.00 0.00 N ATOM 703 CA THR A 45 8.197 -9.589 -1.414 1.00 0.00 C ATOM 704 C THR A 45 7.933 -8.145 -1.006 1.00 0.00 C ATOM 705 O THR A 45 7.819 -7.260 -1.852 1.00 0.00 O ATOM 706 CB THR A 45 9.698 -9.902 -1.384 1.00 0.00 C ATOM 707 OG1 THR A 45 10.390 -9.000 -2.211 1.00 0.00 O ATOM 708 CG2 THR A 45 10.016 -11.339 -1.806 1.00 0.00 C ATOM 0 H THR A 45 7.773 -9.100 -3.400 1.00 0.00 H new ATOM 0 HA THR A 45 7.720 -10.255 -0.695 1.00 0.00 H new ATOM 0 HB THR A 45 10.024 -9.793 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.336 -9.302 -3.142 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.093 -11.500 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.519 -12.035 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.663 -11.506 -2.824 1.00 0.00 H new ATOM 716 N LEU A 46 7.841 -7.911 0.305 1.00 0.00 N ATOM 717 CA LEU A 46 7.598 -6.600 0.884 1.00 0.00 C ATOM 718 C LEU A 46 8.611 -5.576 0.381 1.00 0.00 C ATOM 719 O LEU A 46 8.249 -4.445 0.088 1.00 0.00 O ATOM 720 CB LEU A 46 7.692 -6.715 2.411 1.00 0.00 C ATOM 721 CG LEU A 46 7.397 -5.401 3.155 1.00 0.00 C ATOM 722 CD1 LEU A 46 5.929 -4.986 3.033 1.00 0.00 C ATOM 723 CD2 LEU A 46 7.755 -5.581 4.630 1.00 0.00 C ATOM 0 H LEU A 46 7.936 -8.648 1.004 1.00 0.00 H new ATOM 0 HA LEU A 46 6.606 -6.260 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.993 -7.479 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.692 -7.056 2.679 1.00 0.00 H new ATOM 0 HG LEU A 46 7.998 -4.612 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.768 -4.053 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.677 -4.844 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.294 -5.765 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.551 -4.656 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.157 -6.388 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.813 -5.827 4.720 1.00 0.00 H new ATOM 735 N ASP A 47 9.881 -5.973 0.298 1.00 0.00 N ATOM 736 CA ASP A 47 10.996 -5.138 -0.110 1.00 0.00 C ATOM 737 C ASP A 47 10.757 -4.736 -1.555 1.00 0.00 C ATOM 738 O ASP A 47 10.617 -3.556 -1.838 1.00 0.00 O ATOM 739 CB ASP A 47 12.362 -5.849 0.018 1.00 0.00 C ATOM 740 CG ASP A 47 12.330 -7.377 -0.010 1.00 0.00 C ATOM 741 OD1 ASP A 47 11.631 -7.958 0.850 1.00 0.00 O ATOM 742 OD2 ASP A 47 13.002 -7.935 -0.904 1.00 0.00 O ATOM 0 H ASP A 47 10.166 -6.926 0.524 1.00 0.00 H new ATOM 0 HA ASP A 47 11.043 -4.272 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.005 -5.504 -0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.827 -5.533 0.952 1.00 0.00 H new ATOM 747 N GLU A 48 10.699 -5.710 -2.466 1.00 0.00 N ATOM 748 CA GLU A 48 10.474 -5.443 -3.880 1.00 0.00 C ATOM 749 C GLU A 48 9.250 -4.548 -4.067 1.00 0.00 C ATOM 750 O GLU A 48 9.290 -3.553 -4.787 1.00 0.00 O ATOM 751 CB GLU A 48 10.282 -6.776 -4.612 1.00 0.00 C ATOM 752 CG GLU A 48 11.598 -7.564 -4.664 1.00 0.00 C ATOM 753 CD GLU A 48 11.407 -8.912 -5.355 1.00 0.00 C ATOM 754 OE1 GLU A 48 10.584 -9.697 -4.835 1.00 0.00 O ATOM 755 OE2 GLU A 48 12.074 -9.129 -6.387 1.00 0.00 O ATOM 0 H GLU A 48 10.807 -6.699 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 48 11.337 -4.921 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.519 -7.367 -4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.923 -6.592 -5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.352 -6.983 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.971 -7.721 -3.652 1.00 0.00 H new ATOM 762 N LEU A 49 8.157 -4.913 -3.403 1.00 0.00 N ATOM 763 CA LEU A 49 6.898 -4.211 -3.484 1.00 0.00 C ATOM 764 C LEU A 49 7.019 -2.767 -3.000 1.00 0.00 C ATOM 765 O LEU A 49 6.816 -1.841 -3.780 1.00 0.00 O ATOM 766 CB LEU A 49 5.853 -5.037 -2.730 1.00 0.00 C ATOM 767 CG LEU A 49 4.483 -4.367 -2.671 1.00 0.00 C ATOM 768 CD1 LEU A 49 3.958 -4.004 -4.067 1.00 0.00 C ATOM 769 CD2 LEU A 49 3.494 -5.313 -1.987 1.00 0.00 C ATOM 0 H LEU A 49 8.130 -5.723 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 49 6.576 -4.114 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.754 -6.010 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.206 -5.217 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 49 4.585 -3.441 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.981 -3.530 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.652 -3.316 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.868 -4.909 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.512 -4.842 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.425 -6.240 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.839 -5.532 -0.977 1.00 0.00 H new ATOM 781 N PHE A 50 7.355 -2.550 -1.729 1.00 0.00 N ATOM 782 CA PHE A 50 7.525 -1.235 -1.162 1.00 0.00 C ATOM 783 C PHE A 50 8.546 -0.455 -1.978 1.00 0.00 C ATOM 784 O PHE A 50 8.382 0.744 -2.133 1.00 0.00 O ATOM 785 CB PHE A 50 8.005 -1.393 0.282 1.00 0.00 C ATOM 786 CG PHE A 50 8.537 -0.117 0.877 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.667 0.860 1.375 1.00 0.00 C ATOM 788 CD2 PHE A 50 9.917 0.116 0.840 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.184 2.088 1.827 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.435 1.353 1.261 1.00 0.00 C ATOM 791 CZ PHE A 50 9.569 2.334 1.773 1.00 0.00 C ATOM 0 H PHE A 50 7.517 -3.304 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 50 6.582 -0.688 -1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.179 -1.754 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.784 -2.154 0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.604 0.672 1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.585 -0.656 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.517 2.843 2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.495 1.549 1.191 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.965 3.275 2.125 1.00 0.00 H new ATOM 801 N GLU A 51 9.590 -1.097 -2.506 1.00 0.00 N ATOM 802 CA GLU A 51 10.568 -0.356 -3.299 1.00 0.00 C ATOM 803 C GLU A 51 9.973 0.074 -4.639 1.00 0.00 C ATOM 804 O GLU A 51 10.227 1.190 -5.078 1.00 0.00 O ATOM 805 CB GLU A 51 11.877 -1.136 -3.469 1.00 0.00 C ATOM 806 CG GLU A 51 12.693 -1.200 -2.166 1.00 0.00 C ATOM 807 CD GLU A 51 13.151 0.170 -1.669 1.00 0.00 C ATOM 808 OE1 GLU A 51 13.524 1.000 -2.526 1.00 0.00 O ATOM 809 OE2 GLU A 51 13.123 0.361 -0.435 1.00 0.00 O ATOM 0 H GLU A 51 9.776 -2.095 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 51 10.821 0.551 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.653 -2.149 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.478 -0.667 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.091 -1.676 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.567 -1.832 -2.324 1.00 0.00 H new ATOM 816 N GLU A 52 9.171 -0.776 -5.285 1.00 0.00 N ATOM 817 CA GLU A 52 8.512 -0.409 -6.534 1.00 0.00 C ATOM 818 C GLU A 52 7.611 0.793 -6.242 1.00 0.00 C ATOM 819 O GLU A 52 7.565 1.775 -6.976 1.00 0.00 O ATOM 820 CB GLU A 52 7.682 -1.606 -7.037 1.00 0.00 C ATOM 821 CG GLU A 52 6.630 -1.224 -8.090 1.00 0.00 C ATOM 822 CD GLU A 52 5.818 -2.439 -8.530 1.00 0.00 C ATOM 823 OE1 GLU A 52 4.926 -2.838 -7.748 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.098 -2.947 -9.637 1.00 0.00 O ATOM 0 H GLU A 52 8.965 -1.721 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 52 9.236 -0.149 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.355 -2.352 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.182 -2.073 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.962 -0.466 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.123 -0.781 -8.955 1.00 0.00 H new ATOM 831 N LEU A 53 6.872 0.662 -5.148 1.00 0.00 N ATOM 832 CA LEU A 53 5.903 1.613 -4.659 1.00 0.00 C ATOM 833 C LEU A 53 6.496 2.935 -4.165 1.00 0.00 C ATOM 834 O LEU A 53 5.913 3.988 -4.399 1.00 0.00 O ATOM 835 CB LEU A 53 5.157 0.916 -3.518 1.00 0.00 C ATOM 836 CG LEU A 53 4.039 -0.014 -3.997 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.575 -0.819 -2.782 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.858 0.770 -4.579 1.00 0.00 C ATOM 0 H LEU A 53 6.943 -0.161 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 53 5.254 1.898 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.869 0.340 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.732 1.672 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 53 4.414 -0.661 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.775 -1.498 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.411 -1.395 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.207 -0.139 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.086 0.074 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.449 1.432 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.198 1.362 -5.429 1.00 0.00 H new ATOM 850 N ASP A 54 7.622 2.919 -3.457 1.00 0.00 N ATOM 851 CA ASP A 54 8.197 4.123 -2.887 1.00 0.00 C ATOM 852 C ASP A 54 8.785 4.957 -4.015 1.00 0.00 C ATOM 853 O ASP A 54 9.859 4.642 -4.517 1.00 0.00 O ATOM 854 CB ASP A 54 9.232 3.773 -1.805 1.00 0.00 C ATOM 855 CG ASP A 54 9.867 5.005 -1.146 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.912 6.082 -1.784 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.366 4.850 -0.010 1.00 0.00 O ATOM 0 H ASP A 54 8.156 2.072 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 54 7.428 4.713 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.752 3.166 -1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.018 3.162 -2.249 1.00 0.00 H new ATOM 862 N LYS A 55 8.069 6.024 -4.374 1.00 0.00 N ATOM 863 CA LYS A 55 8.391 7.017 -5.393 1.00 0.00 C ATOM 864 C LYS A 55 9.889 7.256 -5.609 1.00 0.00 C ATOM 865 O LYS A 55 10.313 7.436 -6.747 1.00 0.00 O ATOM 866 CB LYS A 55 7.675 8.339 -5.072 1.00 0.00 C ATOM 867 CG LYS A 55 7.883 8.827 -3.625 1.00 0.00 C ATOM 868 CD LYS A 55 7.183 10.169 -3.359 1.00 0.00 C ATOM 869 CE LYS A 55 7.722 11.336 -4.198 1.00 0.00 C ATOM 870 NZ LYS A 55 9.181 11.494 -4.059 1.00 0.00 N ATOM 0 H LYS A 55 7.178 6.230 -3.922 1.00 0.00 H new ATOM 0 HA LYS A 55 8.033 6.604 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.028 9.108 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.607 8.216 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.502 8.077 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.950 8.930 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.117 10.056 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.287 10.417 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.474 11.172 -5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.228 12.259 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.482 12.370 -4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.431 11.541 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.661 10.682 -4.497 1.00 0.00 H new ATOM 884 N ASN A 56 10.687 7.273 -4.536 1.00 0.00 N ATOM 885 CA ASN A 56 12.126 7.496 -4.629 1.00 0.00 C ATOM 886 C ASN A 56 12.915 6.532 -3.735 1.00 0.00 C ATOM 887 O ASN A 56 14.072 6.803 -3.438 1.00 0.00 O ATOM 888 CB ASN A 56 12.421 8.967 -4.303 1.00 0.00 C ATOM 889 CG ASN A 56 13.861 9.368 -4.621 1.00 0.00 C ATOM 890 OD1 ASN A 56 14.367 9.120 -5.706 1.00 0.00 O ATOM 891 ND2 ASN A 56 14.549 10.011 -3.691 1.00 0.00 N ATOM 0 H ASN A 56 10.351 7.133 -3.583 1.00 0.00 H new ATOM 0 HA ASN A 56 12.457 7.287 -5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.739 9.603 -4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.224 9.147 -3.246 1.00 0.00 H new ATOM 0 HD21 ASN A 56 15.508 10.303 -3.877 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.120 10.214 -2.788 1.00 0.00 H new ATOM 898 N GLY A 57 12.308 5.415 -3.305 1.00 0.00 N ATOM 899 CA GLY A 57 12.935 4.405 -2.454 1.00 0.00 C ATOM 900 C GLY A 57 13.736 5.064 -1.338 1.00 0.00 C ATOM 901 O GLY A 57 14.927 4.795 -1.197 1.00 0.00 O ATOM 0 H GLY A 57 11.344 5.188 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.170 3.757 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.589 3.772 -3.054 1.00 0.00 H new ATOM 905 N ASP A 58 13.098 5.947 -0.561 1.00 0.00 N ATOM 906 CA ASP A 58 13.819 6.718 0.446 1.00 0.00 C ATOM 907 C ASP A 58 12.982 7.043 1.673 1.00 0.00 C ATOM 908 O ASP A 58 13.476 7.719 2.570 1.00 0.00 O ATOM 909 CB ASP A 58 14.344 8.014 -0.195 1.00 0.00 C ATOM 910 CG ASP A 58 13.245 8.974 -0.656 1.00 0.00 C ATOM 911 OD1 ASP A 58 12.057 8.584 -0.626 1.00 0.00 O ATOM 912 OD2 ASP A 58 13.620 10.095 -1.069 1.00 0.00 O ATOM 0 H ASP A 58 12.098 6.141 -0.612 1.00 0.00 H new ATOM 0 HA ASP A 58 14.644 6.099 0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.983 8.528 0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.968 7.756 -1.050 1.00 0.00 H new ATOM 917 N GLY A 59 11.731 6.588 1.743 1.00 0.00 N ATOM 918 CA GLY A 59 10.940 6.899 2.910 1.00 0.00 C ATOM 919 C GLY A 59 9.614 6.170 2.906 1.00 0.00 C ATOM 920 O GLY A 59 9.407 5.278 3.728 1.00 0.00 O ATOM 0 H GLY A 59 11.267 6.025 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.498 6.632 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.763 7.974 2.952 1.00 0.00 H new ATOM 924 N GLU A 60 8.699 6.561 2.012 1.00 0.00 N ATOM 925 CA GLU A 60 7.367 5.998 2.039 1.00 0.00 C ATOM 926 C GLU A 60 6.709 5.919 0.659 1.00 0.00 C ATOM 927 O GLU A 60 7.205 6.450 -0.331 1.00 0.00 O ATOM 928 CB GLU A 60 6.508 6.889 2.950 1.00 0.00 C ATOM 929 CG GLU A 60 7.168 7.423 4.236 1.00 0.00 C ATOM 930 CD GLU A 60 6.201 8.266 5.060 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.133 9.487 4.789 1.00 0.00 O ATOM 932 OE2 GLU A 60 5.534 7.663 5.928 1.00 0.00 O ATOM 0 H GLU A 60 8.862 7.252 1.279 1.00 0.00 H new ATOM 0 HA GLU A 60 7.443 4.974 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.168 7.743 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.620 6.325 3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.523 6.586 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.041 8.022 3.975 1.00 0.00 H new ATOM 939 N VAL A 61 5.554 5.262 0.659 1.00 0.00 N ATOM 940 CA VAL A 61 4.605 5.057 -0.421 1.00 0.00 C ATOM 941 C VAL A 61 3.485 6.072 -0.148 1.00 0.00 C ATOM 942 O VAL A 61 3.522 6.752 0.871 1.00 0.00 O ATOM 943 CB VAL A 61 4.097 3.595 -0.343 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.081 3.223 -1.432 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.290 2.635 -0.400 1.00 0.00 C ATOM 0 H VAL A 61 5.227 4.811 1.514 1.00 0.00 H new ATOM 0 HA VAL A 61 5.019 5.202 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 61 3.568 3.506 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.777 2.184 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.207 3.870 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.537 3.351 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.933 1.607 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.831 2.782 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.957 2.833 0.440 1.00 0.00 H new ATOM 955 N SER A 62 2.475 6.183 -1.005 1.00 0.00 N ATOM 956 CA SER A 62 1.321 7.058 -0.841 1.00 0.00 C ATOM 957 C SER A 62 0.207 6.493 -1.714 1.00 0.00 C ATOM 958 O SER A 62 0.471 5.585 -2.503 1.00 0.00 O ATOM 959 CB SER A 62 1.629 8.510 -1.219 1.00 0.00 C ATOM 960 OG SER A 62 1.882 8.616 -2.602 1.00 0.00 O ATOM 0 H SER A 62 2.438 5.642 -1.869 1.00 0.00 H new ATOM 0 HA SER A 62 1.026 7.084 0.208 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.789 9.149 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.494 8.863 -0.657 1.00 0.00 H new ATOM 0 HG SER A 62 2.829 8.434 -2.776 1.00 0.00 H new ATOM 966 N PHE A 63 -1.023 7.001 -1.597 1.00 0.00 N ATOM 967 CA PHE A 63 -2.125 6.510 -2.417 1.00 0.00 C ATOM 968 C PHE A 63 -1.763 6.566 -3.904 1.00 0.00 C ATOM 969 O PHE A 63 -2.113 5.659 -4.655 1.00 0.00 O ATOM 970 CB PHE A 63 -3.433 7.226 -2.089 1.00 0.00 C ATOM 971 CG PHE A 63 -4.604 6.785 -2.946 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.331 5.639 -2.576 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.844 7.380 -4.200 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.417 5.209 -3.359 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.844 6.862 -5.044 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.706 5.856 -4.572 1.00 0.00 C ATOM 0 H PHE A 63 -1.276 7.746 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.293 5.461 -2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.677 7.055 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.289 8.300 -2.211 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.055 5.088 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.261 8.233 -4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.028 4.382 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.949 7.236 -6.052 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.584 5.583 -5.138 1.00 0.00 H new ATOM 986 N GLU A 64 -1.049 7.620 -4.311 1.00 0.00 N ATOM 987 CA GLU A 64 -0.591 7.843 -5.675 1.00 0.00 C ATOM 988 C GLU A 64 0.037 6.559 -6.232 1.00 0.00 C ATOM 989 O GLU A 64 -0.501 5.900 -7.119 1.00 0.00 O ATOM 990 CB GLU A 64 0.416 9.013 -5.660 1.00 0.00 C ATOM 991 CG GLU A 64 0.716 9.521 -7.074 1.00 0.00 C ATOM 992 CD GLU A 64 1.665 10.716 -7.042 1.00 0.00 C ATOM 993 OE1 GLU A 64 2.829 10.507 -6.637 1.00 0.00 O ATOM 994 OE2 GLU A 64 1.204 11.818 -7.412 1.00 0.00 O ATOM 0 H GLU A 64 -0.767 8.364 -3.673 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.425 8.102 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.017 9.829 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.342 8.690 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.157 8.719 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.214 9.805 -7.566 1.00 0.00 H new ATOM 1001 N GLU A 65 1.192 6.207 -5.676 1.00 0.00 N ATOM 1002 CA GLU A 65 1.962 5.030 -6.047 1.00 0.00 C ATOM 1003 C GLU A 65 1.137 3.782 -5.757 1.00 0.00 C ATOM 1004 O GLU A 65 1.177 2.831 -6.526 1.00 0.00 O ATOM 1005 CB GLU A 65 3.282 4.926 -5.268 1.00 0.00 C ATOM 1006 CG GLU A 65 3.497 5.980 -4.179 1.00 0.00 C ATOM 1007 CD GLU A 65 4.013 7.327 -4.669 1.00 0.00 C ATOM 1008 OE1 GLU A 65 4.071 7.525 -5.901 1.00 0.00 O ATOM 1009 OE2 GLU A 65 4.303 8.150 -3.773 1.00 0.00 O ATOM 0 H GLU A 65 1.629 6.751 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 65 2.198 5.116 -7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.334 3.939 -4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.107 4.990 -5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.552 6.139 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.201 5.584 -3.447 1.00 0.00 H new ATOM 1016 N PHE A 66 0.400 3.772 -4.641 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.447 2.643 -4.264 1.00 0.00 C ATOM 1018 C PHE A 66 -1.354 2.182 -5.413 1.00 0.00 C ATOM 1019 O PHE A 66 -1.735 1.016 -5.448 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.246 2.965 -3.000 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.948 1.788 -2.362 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.276 0.988 -1.419 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.283 1.503 -2.698 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.959 -0.051 -0.767 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.934 0.406 -2.110 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.294 -0.334 -1.101 1.00 0.00 C ATOM 0 H PHE A 66 0.376 4.546 -3.977 1.00 0.00 H new ATOM 0 HA PHE A 66 0.210 1.802 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.571 3.406 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.991 3.723 -3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.235 1.173 -1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.807 2.127 -3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.458 -0.633 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.927 0.131 -2.433 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.827 -1.118 -0.584 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.706 3.037 -6.380 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.512 2.565 -7.505 1.00 0.00 C ATOM 1038 C GLN A 67 -1.793 1.441 -8.274 1.00 0.00 C ATOM 1039 O GLN A 67 -2.433 0.579 -8.872 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.078 3.722 -8.345 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.753 4.785 -7.473 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.726 4.153 -6.489 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.824 3.744 -6.842 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.336 4.059 -5.231 1.00 0.00 N ATOM 0 H GLN A 67 -1.455 4.025 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.413 2.086 -7.122 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.273 4.181 -8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.799 3.331 -9.063 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.995 5.347 -6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.283 5.496 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.417 4.405 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.953 3.640 -4.536 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.459 1.400 -8.219 1.00 0.00 N ATOM 1054 CA VAL A 68 0.316 0.308 -8.787 1.00 0.00 C ATOM 1055 C VAL A 68 -0.057 -0.956 -8.004 1.00 0.00 C ATOM 1056 O VAL A 68 -0.317 -1.991 -8.607 1.00 0.00 O ATOM 1057 CB VAL A 68 1.825 0.611 -8.732 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.643 -0.558 -9.297 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.157 1.874 -9.538 1.00 0.00 C ATOM 0 H VAL A 68 0.108 2.125 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 68 0.086 0.169 -9.843 1.00 0.00 H new ATOM 0 HB VAL A 68 2.085 0.764 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.705 -0.317 -9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.446 -1.456 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.360 -0.732 -10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.228 2.068 -9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.866 1.729 -10.578 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.613 2.723 -9.124 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.121 -0.882 -6.667 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.529 -2.009 -5.828 1.00 0.00 C ATOM 1071 C LEU A 69 -1.929 -2.420 -6.278 1.00 0.00 C ATOM 1072 O LEU A 69 -2.146 -3.598 -6.557 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.424 -1.662 -4.328 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.939 -2.697 -3.312 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -2.470 -2.799 -3.261 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -0.302 -4.077 -3.493 1.00 0.00 C ATOM 0 H LEU A 69 0.109 -0.039 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 69 0.140 -2.861 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.624 -1.465 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.966 -0.731 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.619 -2.313 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.760 -3.547 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.890 -1.833 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.848 -3.090 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.704 -4.764 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.525 -4.453 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.778 -3.998 -3.368 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.866 -1.463 -6.376 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.226 -1.721 -6.861 1.00 0.00 C ATOM 1090 C VAL A 70 -4.170 -2.511 -8.178 1.00 0.00 C ATOM 1091 O VAL A 70 -4.952 -3.438 -8.396 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.049 -0.428 -6.995 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.449 -0.727 -7.551 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.179 0.266 -5.632 1.00 0.00 C ATOM 0 H VAL A 70 -2.699 -0.490 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.744 -2.328 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.527 0.231 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.012 0.202 -7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.359 -1.189 -8.534 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.971 -1.407 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.764 1.179 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.678 -0.402 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.187 0.514 -5.254 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.234 -2.167 -9.065 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.062 -2.926 -10.282 1.00 0.00 C ATOM 1106 C LYS A 71 -2.579 -4.342 -9.943 1.00 0.00 C ATOM 1107 O LYS A 71 -3.233 -5.304 -10.334 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.111 -2.201 -11.238 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.219 -2.790 -12.647 1.00 0.00 C ATOM 1110 CD LYS A 71 -1.277 -2.059 -13.611 1.00 0.00 C ATOM 1111 CE LYS A 71 0.199 -2.452 -13.452 1.00 0.00 C ATOM 1112 NZ LYS A 71 0.423 -3.885 -13.715 1.00 0.00 N ATOM 0 H LYS A 71 -2.597 -1.378 -8.957 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.019 -3.015 -10.796 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.350 -1.138 -11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.086 -2.289 -10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.972 -3.851 -12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.246 -2.710 -13.003 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.590 -2.264 -14.635 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.376 -0.985 -13.456 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.807 -1.859 -14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.530 -2.213 -12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.723 -4.356 -12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.459 -4.317 -14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.163 -3.994 -14.437 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.451 -4.508 -9.237 1.00 0.00 N ATOM 1127 CA LYS A 72 -0.900 -5.812 -8.962 1.00 0.00 C ATOM 1128 C LYS A 72 -1.824 -6.778 -8.222 1.00 0.00 C ATOM 1129 O LYS A 72 -1.789 -7.979 -8.487 1.00 0.00 O ATOM 1130 CB LYS A 72 0.484 -5.787 -8.342 1.00 0.00 C ATOM 1131 CG LYS A 72 1.483 -4.687 -8.736 1.00 0.00 C ATOM 1132 CD LYS A 72 1.651 -4.434 -10.246 1.00 0.00 C ATOM 1133 CE LYS A 72 2.740 -5.300 -10.893 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.432 -6.739 -10.833 1.00 0.00 N ATOM 0 H LYS A 72 -0.909 -3.736 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.794 -6.224 -9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.354 -5.735 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.954 -6.746 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.171 -3.755 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.457 -4.944 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.701 -4.624 -10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.891 -3.383 -10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.864 -5.002 -11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.691 -5.115 -10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.015 -7.248 -11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.637 -7.098 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.426 -6.888 -11.050 1.00 0.00 H new ATOM 1148 N ILE A 73 -2.662 -6.295 -7.303 1.00 0.00 N ATOM 1149 CA ILE A 73 -3.607 -7.185 -6.627 1.00 0.00 C ATOM 1150 C ILE A 73 -4.568 -7.774 -7.665 1.00 0.00 C ATOM 1151 O ILE A 73 -5.047 -8.892 -7.515 1.00 0.00 O ATOM 1152 CB ILE A 73 -4.383 -6.467 -5.519 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.101 -5.235 -6.064 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -3.444 -6.112 -4.358 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -6.112 -4.641 -5.102 1.00 0.00 C ATOM 0 H ILE A 73 -2.707 -5.318 -7.015 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.043 -7.985 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.150 -7.141 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.361 -4.475 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.609 -5.502 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.008 -5.602 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.006 -7.024 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.651 -5.458 -4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.581 -3.770 -5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.875 -5.384 -4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.608 -4.341 -4.183 1.00 0.00 H new ATOM 1167 N SER A 74 -4.809 -7.026 -8.745 1.00 0.00 N ATOM 1168 CA SER A 74 -5.630 -7.418 -9.872 1.00 0.00 C ATOM 1169 C SER A 74 -4.698 -8.035 -10.924 1.00 0.00 C ATOM 1170 O SER A 74 -4.997 -8.022 -12.115 1.00 0.00 O ATOM 1171 CB SER A 74 -6.334 -6.169 -10.428 1.00 0.00 C ATOM 1172 OG SER A 74 -6.830 -5.343 -9.387 1.00 0.00 O ATOM 0 H SER A 74 -4.416 -6.091 -8.853 1.00 0.00 H new ATOM 0 HA SER A 74 -6.392 -8.143 -9.586 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.636 -5.601 -11.043 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.156 -6.472 -11.076 1.00 0.00 H new ATOM 0 HG SER A 74 -6.134 -4.710 -9.112 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.539 -8.542 -10.495 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.496 -9.121 -11.329 1.00 0.00 C ATOM 1180 C GLN A 75 -1.933 -10.368 -10.652 1.00 0.00 C ATOM 1181 O GLN A 75 -0.915 -10.904 -11.086 1.00 0.00 O ATOM 1182 CB GLN A 75 -1.405 -8.054 -11.536 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.881 -8.006 -12.976 1.00 0.00 C ATOM 1184 CD GLN A 75 -1.649 -7.003 -13.842 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -1.071 -6.354 -14.703 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.947 -6.817 -13.638 1.00 0.00 N ATOM 0 H GLN A 75 -3.296 -8.558 -9.505 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.893 -9.422 -12.299 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.805 -7.076 -11.268 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.575 -8.255 -10.859 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.176 -7.740 -12.967 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.956 -8.998 -13.421 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.433 -7.356 -12.921 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.459 -6.135 -14.198 1.00 0.00 H new TER 1195 GLN A 75