USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 36:sc= 0.238 USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 0.474 (180deg=0.465) USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0.178 (180deg=0.138) USER MOD Single : A 13 TYR OH : rot -175:sc= 1.28 USER MOD Single : A 22 GLN : amide:sc= -0.857 X(o=-0.86,f=-0.86) USER MOD Single : A 24 SER OG : rot 180:sc= 0.55 USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.84) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.047) USER MOD Single : A 33 GLN : amide:sc= 0.921 K(o=0.92,f=-0.062) USER MOD Single : A 34 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0533) USER MOD Single : A 62 SER OG : rot -81:sc= 1.51 USER MOD Single : A 67 GLN : amide:sc= 0.0188 X(o=0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 2.075 -1.044 -1.888 1.00 0.00 N ATOM 26 CA SER A 2 2.038 -2.214 -2.749 1.00 0.00 C ATOM 27 C SER A 2 1.568 -1.919 -4.177 1.00 0.00 C ATOM 28 O SER A 2 2.239 -2.366 -5.101 1.00 0.00 O ATOM 29 CB SER A 2 1.253 -3.352 -2.094 1.00 0.00 C ATOM 30 OG SER A 2 1.753 -3.567 -0.785 1.00 0.00 O ATOM 0 HA SER A 2 3.070 -2.544 -2.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.192 -3.104 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.346 -4.262 -2.686 1.00 0.00 H new ATOM 0 HG SER A 2 2.016 -2.709 -0.390 1.00 0.00 H new ATOM 36 N PRO A 3 0.469 -1.176 -4.403 1.00 0.00 N ATOM 37 CA PRO A 3 0.041 -0.825 -5.749 1.00 0.00 C ATOM 38 C PRO A 3 1.178 -0.235 -6.587 1.00 0.00 C ATOM 39 O PRO A 3 1.458 -0.711 -7.685 1.00 0.00 O ATOM 40 CB PRO A 3 -1.111 0.168 -5.565 1.00 0.00 C ATOM 41 CG PRO A 3 -1.705 -0.250 -4.222 1.00 0.00 C ATOM 42 CD PRO A 3 -0.449 -0.601 -3.428 1.00 0.00 C ATOM 0 HA PRO A 3 -0.277 -1.708 -6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.758 1.199 -5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.841 0.095 -6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.273 0.556 -3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.380 -1.101 -4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.020 0.284 -2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.672 -1.310 -2.631 1.00 0.00 H new ATOM 50 N GLU A 4 1.847 0.794 -6.060 1.00 0.00 N ATOM 51 CA GLU A 4 2.881 1.511 -6.788 1.00 0.00 C ATOM 52 C GLU A 4 4.150 0.670 -6.886 1.00 0.00 C ATOM 53 O GLU A 4 4.805 0.647 -7.928 1.00 0.00 O ATOM 54 CB GLU A 4 3.154 2.865 -6.116 1.00 0.00 C ATOM 55 CG GLU A 4 1.877 3.702 -5.936 1.00 0.00 C ATOM 56 CD GLU A 4 1.092 3.849 -7.238 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.642 4.485 -8.163 1.00 0.00 O ATOM 58 OE2 GLU A 4 -0.034 3.309 -7.288 1.00 0.00 O ATOM 0 H GLU A 4 1.683 1.148 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 4 2.534 1.700 -7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.615 2.697 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.871 3.426 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.243 3.235 -5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.143 4.690 -5.561 1.00 0.00 H new ATOM 65 N GLU A 5 4.490 -0.040 -5.806 1.00 0.00 N ATOM 66 CA GLU A 5 5.633 -0.939 -5.806 1.00 0.00 C ATOM 67 C GLU A 5 5.464 -1.940 -6.950 1.00 0.00 C ATOM 68 O GLU A 5 6.330 -2.083 -7.814 1.00 0.00 O ATOM 69 CB GLU A 5 5.710 -1.632 -4.440 1.00 0.00 C ATOM 70 CG GLU A 5 6.950 -2.523 -4.288 1.00 0.00 C ATOM 71 CD GLU A 5 6.893 -3.311 -2.983 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.944 -4.115 -2.849 1.00 0.00 O ATOM 73 OE2 GLU A 5 7.786 -3.084 -2.139 1.00 0.00 O ATOM 0 H GLU A 5 3.984 -0.005 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 5 6.567 -0.400 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.715 -0.876 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.815 -2.237 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.015 -3.211 -5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.850 -1.908 -4.308 1.00 0.00 H new ATOM 80 N LEU A 6 4.319 -2.623 -6.960 1.00 0.00 N ATOM 81 CA LEU A 6 4.052 -3.668 -7.925 1.00 0.00 C ATOM 82 C LEU A 6 3.821 -3.081 -9.309 1.00 0.00 C ATOM 83 O LEU A 6 4.128 -3.751 -10.288 1.00 0.00 O ATOM 84 CB LEU A 6 2.931 -4.600 -7.467 1.00 0.00 C ATOM 85 CG LEU A 6 3.458 -5.675 -6.499 1.00 0.00 C ATOM 86 CD1 LEU A 6 4.230 -5.151 -5.283 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.270 -6.480 -5.993 1.00 0.00 C ATOM 0 H LEU A 6 3.559 -2.462 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 6 4.939 -4.298 -7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.149 -4.019 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.477 -5.080 -8.334 1.00 0.00 H new ATOM 0 HG LEU A 6 4.173 -6.265 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.555 -5.991 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.101 -4.589 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.584 -4.500 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.619 -7.249 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.575 -5.818 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.764 -6.950 -6.836 1.00 0.00 H new ATOM 99 N LYS A 7 3.329 -1.843 -9.424 1.00 0.00 N ATOM 100 CA LYS A 7 3.328 -1.150 -10.704 1.00 0.00 C ATOM 101 C LYS A 7 4.766 -1.063 -11.218 1.00 0.00 C ATOM 102 O LYS A 7 5.038 -1.458 -12.348 1.00 0.00 O ATOM 103 CB LYS A 7 2.685 0.237 -10.571 1.00 0.00 C ATOM 104 CG LYS A 7 2.519 0.924 -11.933 1.00 0.00 C ATOM 105 CD LYS A 7 1.756 2.242 -11.756 1.00 0.00 C ATOM 106 CE LYS A 7 1.565 2.966 -13.093 1.00 0.00 C ATOM 107 NZ LYS A 7 2.839 3.476 -13.633 1.00 0.00 N ATOM 0 H LYS A 7 2.931 -1.310 -8.651 1.00 0.00 H new ATOM 0 HA LYS A 7 2.730 -1.706 -11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.711 0.141 -10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.299 0.861 -9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.496 1.115 -12.377 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.980 0.270 -12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.783 2.043 -11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.299 2.888 -11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.113 2.284 -13.813 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.870 3.795 -12.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.660 3.988 -14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.275 4.121 -12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.482 2.679 -13.817 1.00 0.00 H new ATOM 121 N GLY A 8 5.690 -0.581 -10.385 1.00 0.00 N ATOM 122 CA GLY A 8 7.101 -0.509 -10.735 1.00 0.00 C ATOM 123 C GLY A 8 7.633 -1.865 -11.199 1.00 0.00 C ATOM 124 O GLY A 8 8.194 -1.971 -12.293 1.00 0.00 O ATOM 0 H GLY A 8 5.477 -0.231 -9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.244 0.229 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.674 -0.168 -9.873 1.00 0.00 H new ATOM 128 N ILE A 9 7.462 -2.900 -10.369 1.00 0.00 N ATOM 129 CA ILE A 9 7.840 -4.278 -10.694 1.00 0.00 C ATOM 130 C ILE A 9 7.271 -4.663 -12.067 1.00 0.00 C ATOM 131 O ILE A 9 8.010 -4.995 -12.994 1.00 0.00 O ATOM 132 CB ILE A 9 7.342 -5.224 -9.580 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.086 -5.000 -8.251 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.478 -6.698 -9.951 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.631 -5.989 -7.168 1.00 0.00 C ATOM 0 H ILE A 9 7.052 -2.802 -9.440 1.00 0.00 H new ATOM 0 HA ILE A 9 8.925 -4.366 -10.750 1.00 0.00 H new ATOM 0 HB ILE A 9 6.287 -4.979 -9.461 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.159 -5.106 -8.413 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.915 -3.980 -7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.112 -7.315 -9.130 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.893 -6.903 -10.848 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.526 -6.930 -10.141 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.180 -5.797 -6.246 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.563 -5.865 -6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.826 -7.008 -7.501 1.00 0.00 H new ATOM 147 N PHE A 10 5.944 -4.634 -12.173 1.00 0.00 N ATOM 148 CA PHE A 10 5.192 -4.961 -13.371 1.00 0.00 C ATOM 149 C PHE A 10 5.817 -4.280 -14.591 1.00 0.00 C ATOM 150 O PHE A 10 6.167 -4.951 -15.561 1.00 0.00 O ATOM 151 CB PHE A 10 3.721 -4.574 -13.148 1.00 0.00 C ATOM 152 CG PHE A 10 2.871 -4.582 -14.395 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.840 -3.439 -15.207 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.201 -5.745 -14.807 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.274 -3.505 -16.484 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.593 -5.792 -16.072 1.00 0.00 C ATOM 157 CZ PHE A 10 1.699 -4.698 -16.940 1.00 0.00 C ATOM 0 H PHE A 10 5.344 -4.371 -11.391 1.00 0.00 H new ATOM 0 HA PHE A 10 5.227 -6.032 -13.572 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.285 -5.261 -12.423 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.684 -3.578 -12.706 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.253 -2.509 -14.846 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.153 -6.602 -14.152 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.280 -2.633 -17.121 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.044 -6.671 -16.375 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.339 -4.774 -17.956 1.00 0.00 H new ATOM 167 N GLU A 11 5.989 -2.955 -14.536 1.00 0.00 N ATOM 168 CA GLU A 11 6.536 -2.198 -15.646 1.00 0.00 C ATOM 169 C GLU A 11 7.967 -2.625 -15.992 1.00 0.00 C ATOM 170 O GLU A 11 8.282 -2.768 -17.172 1.00 0.00 O ATOM 171 CB GLU A 11 6.410 -0.687 -15.413 1.00 0.00 C ATOM 172 CG GLU A 11 4.933 -0.262 -15.448 1.00 0.00 C ATOM 173 CD GLU A 11 4.761 1.249 -15.506 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.172 1.907 -14.526 1.00 0.00 O ATOM 175 OE2 GLU A 11 4.182 1.715 -16.513 1.00 0.00 O ATOM 0 H GLU A 11 5.752 -2.388 -13.722 1.00 0.00 H new ATOM 0 HA GLU A 11 5.934 -2.432 -16.524 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.849 -0.423 -14.451 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.969 -0.147 -16.177 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.449 -0.713 -16.315 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.426 -0.648 -14.563 1.00 0.00 H new ATOM 182 N LYS A 12 8.852 -2.833 -15.008 1.00 0.00 N ATOM 183 CA LYS A 12 10.209 -3.260 -15.352 1.00 0.00 C ATOM 184 C LYS A 12 10.217 -4.649 -16.003 1.00 0.00 C ATOM 185 O LYS A 12 10.909 -4.839 -17.002 1.00 0.00 O ATOM 186 CB LYS A 12 11.210 -3.097 -14.198 1.00 0.00 C ATOM 187 CG LYS A 12 10.908 -3.964 -12.975 1.00 0.00 C ATOM 188 CD LYS A 12 11.984 -3.854 -11.885 1.00 0.00 C ATOM 189 CE LYS A 12 12.160 -2.432 -11.334 1.00 0.00 C ATOM 190 NZ LYS A 12 10.894 -1.871 -10.830 1.00 0.00 N ATOM 0 H LYS A 12 8.664 -2.719 -14.012 1.00 0.00 H new ATOM 0 HA LYS A 12 10.576 -2.572 -16.114 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.209 -3.338 -14.562 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.226 -2.051 -13.892 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.944 -3.672 -12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.819 -5.005 -13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.727 -4.523 -11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.936 -4.198 -12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.896 -2.444 -10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.555 -1.786 -12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.075 -0.946 -10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.227 -1.756 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.486 -2.515 -10.123 1.00 0.00 H new ATOM 204 N TYR A 13 9.449 -5.618 -15.489 1.00 0.00 N ATOM 205 CA TYR A 13 9.281 -6.894 -16.176 1.00 0.00 C ATOM 206 C TYR A 13 8.768 -6.689 -17.596 1.00 0.00 C ATOM 207 O TYR A 13 9.404 -7.116 -18.556 1.00 0.00 O ATOM 208 CB TYR A 13 8.341 -7.794 -15.377 1.00 0.00 C ATOM 209 CG TYR A 13 9.068 -8.541 -14.290 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.873 -9.637 -14.631 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.939 -8.162 -12.947 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.548 -10.348 -13.630 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.632 -8.861 -11.948 1.00 0.00 C ATOM 214 CZ TYR A 13 10.440 -9.956 -12.287 1.00 0.00 C ATOM 215 OH TYR A 13 11.052 -10.685 -11.313 1.00 0.00 O ATOM 0 H TYR A 13 8.941 -5.540 -14.608 1.00 0.00 H new ATOM 0 HA TYR A 13 10.253 -7.382 -16.248 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.549 -7.190 -14.935 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.862 -8.506 -16.049 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.973 -9.933 -15.665 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.304 -7.330 -12.681 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.154 -11.202 -13.893 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.543 -8.556 -10.916 1.00 0.00 H new ATOM 0 HH TYR A 13 10.817 -10.319 -10.435 1.00 0.00 H new ATOM 225 N ALA A 14 7.620 -6.029 -17.724 1.00 0.00 N ATOM 226 CA ALA A 14 7.014 -5.680 -18.996 1.00 0.00 C ATOM 227 C ALA A 14 8.045 -5.140 -19.990 1.00 0.00 C ATOM 228 O ALA A 14 8.157 -5.642 -21.104 1.00 0.00 O ATOM 229 CB ALA A 14 5.907 -4.663 -18.750 1.00 0.00 C ATOM 0 H ALA A 14 7.074 -5.716 -16.921 1.00 0.00 H new ATOM 0 HA ALA A 14 6.594 -6.580 -19.444 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.444 -4.393 -19.699 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.156 -5.096 -18.090 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.328 -3.772 -18.285 1.00 0.00 H new ATOM 235 N ALA A 15 8.837 -4.153 -19.568 1.00 0.00 N ATOM 236 CA ALA A 15 9.884 -3.551 -20.382 1.00 0.00 C ATOM 237 C ALA A 15 10.859 -4.576 -20.981 1.00 0.00 C ATOM 238 O ALA A 15 11.387 -4.339 -22.066 1.00 0.00 O ATOM 239 CB ALA A 15 10.633 -2.492 -19.570 1.00 0.00 C ATOM 0 H ALA A 15 8.765 -3.746 -18.636 1.00 0.00 H new ATOM 0 HA ALA A 15 9.392 -3.079 -21.232 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.414 -2.047 -20.186 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.936 -1.717 -19.252 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.083 -2.957 -18.693 1.00 0.00 H new ATOM 329 N GLN A 22 2.970 -3.955 -20.387 1.00 0.00 N ATOM 330 CA GLN A 22 2.279 -5.178 -20.767 1.00 0.00 C ATOM 331 C GLN A 22 3.150 -6.416 -20.513 1.00 0.00 C ATOM 332 O GLN A 22 4.346 -6.380 -20.787 1.00 0.00 O ATOM 333 CB GLN A 22 1.864 -5.067 -22.235 1.00 0.00 C ATOM 334 CG GLN A 22 0.937 -6.213 -22.619 1.00 0.00 C ATOM 335 CD GLN A 22 0.433 -6.049 -24.051 1.00 0.00 C ATOM 336 OE1 GLN A 22 1.197 -6.164 -25.002 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.865 -5.808 -24.219 1.00 0.00 N ATOM 0 HA GLN A 22 1.388 -5.301 -20.151 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.363 -4.114 -22.406 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.749 -5.080 -22.871 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.465 -7.162 -22.521 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.091 -6.247 -21.933 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.476 -5.717 -23.407 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.249 -5.714 -25.159 1.00 0.00 H new ATOM 346 N LEU A 23 2.551 -7.505 -20.008 1.00 0.00 N ATOM 347 CA LEU A 23 3.215 -8.784 -19.761 1.00 0.00 C ATOM 348 C LEU A 23 2.551 -9.890 -20.587 1.00 0.00 C ATOM 349 O LEU A 23 1.329 -10.026 -20.543 1.00 0.00 O ATOM 350 CB LEU A 23 3.049 -9.187 -18.286 1.00 0.00 C ATOM 351 CG LEU A 23 3.585 -8.216 -17.229 1.00 0.00 C ATOM 352 CD1 LEU A 23 3.104 -8.715 -15.873 1.00 0.00 C ATOM 353 CD2 LEU A 23 5.099 -8.176 -17.095 1.00 0.00 C ATOM 0 H LEU A 23 1.563 -7.515 -19.755 1.00 0.00 H new ATOM 0 HA LEU A 23 4.266 -8.669 -20.026 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.987 -9.341 -18.096 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.541 -10.149 -18.141 1.00 0.00 H new ATOM 0 HG LEU A 23 3.237 -7.229 -17.534 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.466 -8.048 -15.091 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.014 -8.734 -15.858 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.487 -9.721 -15.699 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.377 -7.459 -16.322 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.466 -9.165 -16.822 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.541 -7.875 -18.045 1.00 0.00 H new ATOM 365 N SER A 24 3.331 -10.713 -21.290 1.00 0.00 N ATOM 366 CA SER A 24 2.833 -11.949 -21.890 1.00 0.00 C ATOM 367 C SER A 24 2.593 -12.974 -20.783 1.00 0.00 C ATOM 368 O SER A 24 2.997 -12.749 -19.650 1.00 0.00 O ATOM 369 CB SER A 24 3.888 -12.493 -22.858 1.00 0.00 C ATOM 370 OG SER A 24 5.121 -12.658 -22.170 1.00 0.00 O ATOM 0 H SER A 24 4.322 -10.541 -21.458 1.00 0.00 H new ATOM 0 HA SER A 24 1.904 -11.757 -22.426 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.560 -13.446 -23.272 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.016 -11.808 -23.696 1.00 0.00 H new ATOM 0 HG SER A 24 5.796 -13.008 -22.788 1.00 0.00 H new ATOM 376 N LYS A 25 1.995 -14.130 -21.085 1.00 0.00 N ATOM 377 CA LYS A 25 1.956 -15.238 -20.138 1.00 0.00 C ATOM 378 C LYS A 25 3.352 -15.668 -19.693 1.00 0.00 C ATOM 379 O LYS A 25 3.528 -16.053 -18.542 1.00 0.00 O ATOM 380 CB LYS A 25 1.099 -16.397 -20.660 1.00 0.00 C ATOM 381 CG LYS A 25 1.610 -17.050 -21.950 1.00 0.00 C ATOM 382 CD LYS A 25 0.562 -18.060 -22.439 1.00 0.00 C ATOM 383 CE LYS A 25 0.960 -18.723 -23.763 1.00 0.00 C ATOM 384 NZ LYS A 25 2.158 -19.568 -23.622 1.00 0.00 N ATOM 0 H LYS A 25 1.534 -14.319 -21.975 1.00 0.00 H new ATOM 0 HA LYS A 25 1.462 -14.879 -19.235 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.036 -17.160 -19.884 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.086 -16.032 -20.832 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.788 -16.292 -22.712 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.561 -17.550 -21.769 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.421 -18.829 -21.679 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.396 -17.554 -22.563 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.131 -19.329 -24.128 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.146 -17.953 -24.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.209 -20.234 -24.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.007 -18.968 -23.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.105 -20.099 -22.730 1.00 0.00 H new ATOM 398 N GLU A 26 4.354 -15.573 -20.566 1.00 0.00 N ATOM 399 CA GLU A 26 5.728 -15.851 -20.188 1.00 0.00 C ATOM 400 C GLU A 26 6.210 -14.824 -19.165 1.00 0.00 C ATOM 401 O GLU A 26 6.687 -15.195 -18.093 1.00 0.00 O ATOM 402 CB GLU A 26 6.633 -15.875 -21.427 1.00 0.00 C ATOM 403 CG GLU A 26 6.327 -17.089 -22.318 1.00 0.00 C ATOM 404 CD GLU A 26 5.044 -16.979 -23.140 1.00 0.00 C ATOM 405 OE1 GLU A 26 4.539 -15.845 -23.299 1.00 0.00 O ATOM 406 OE2 GLU A 26 4.575 -18.047 -23.587 1.00 0.00 O ATOM 0 H GLU A 26 4.233 -15.304 -21.542 1.00 0.00 H new ATOM 0 HA GLU A 26 5.776 -16.837 -19.725 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.495 -14.957 -21.999 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.678 -15.903 -21.117 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.165 -17.242 -22.998 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.262 -17.976 -21.688 1.00 0.00 H new ATOM 413 N GLU A 27 6.079 -13.533 -19.482 1.00 0.00 N ATOM 414 CA GLU A 27 6.533 -12.495 -18.564 1.00 0.00 C ATOM 415 C GLU A 27 5.747 -12.594 -17.243 1.00 0.00 C ATOM 416 O GLU A 27 6.327 -12.475 -16.162 1.00 0.00 O ATOM 417 CB GLU A 27 6.450 -11.115 -19.240 1.00 0.00 C ATOM 418 CG GLU A 27 7.447 -10.097 -18.654 1.00 0.00 C ATOM 419 CD GLU A 27 8.890 -10.390 -19.056 1.00 0.00 C ATOM 420 OE1 GLU A 27 9.149 -10.411 -20.278 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.707 -10.594 -18.133 1.00 0.00 O ATOM 0 H GLU A 27 5.670 -13.190 -20.351 1.00 0.00 H new ATOM 0 HA GLU A 27 7.583 -12.640 -18.311 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.639 -11.227 -20.308 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.437 -10.725 -19.135 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.177 -9.095 -18.989 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.369 -10.102 -17.567 1.00 0.00 H new ATOM 428 N LEU A 28 4.437 -12.869 -17.326 1.00 0.00 N ATOM 429 CA LEU A 28 3.593 -13.094 -16.165 1.00 0.00 C ATOM 430 C LEU A 28 4.112 -14.285 -15.355 1.00 0.00 C ATOM 431 O LEU A 28 4.255 -14.189 -14.139 1.00 0.00 O ATOM 432 CB LEU A 28 2.116 -13.260 -16.553 1.00 0.00 C ATOM 433 CG LEU A 28 1.218 -13.031 -15.322 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.854 -11.554 -15.144 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.075 -13.842 -15.382 1.00 0.00 C ATOM 0 H LEU A 28 3.938 -12.940 -18.213 1.00 0.00 H new ATOM 0 HA LEU A 28 3.643 -12.208 -15.532 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.856 -12.551 -17.339 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.947 -14.259 -16.956 1.00 0.00 H new ATOM 0 HG LEU A 28 1.809 -13.367 -14.470 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.220 -11.439 -14.265 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.764 -10.968 -15.015 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.318 -11.202 -16.026 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.671 -13.644 -14.491 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.642 -13.557 -16.268 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.164 -14.904 -15.430 1.00 0.00 H new ATOM 447 N LYS A 29 4.417 -15.413 -16.003 1.00 0.00 N ATOM 448 CA LYS A 29 4.983 -16.546 -15.290 1.00 0.00 C ATOM 449 C LYS A 29 6.246 -16.110 -14.552 1.00 0.00 C ATOM 450 O LYS A 29 6.389 -16.406 -13.364 1.00 0.00 O ATOM 451 CB LYS A 29 5.263 -17.703 -16.259 1.00 0.00 C ATOM 452 CG LYS A 29 5.672 -18.977 -15.508 1.00 0.00 C ATOM 453 CD LYS A 29 6.011 -20.097 -16.501 1.00 0.00 C ATOM 454 CE LYS A 29 6.248 -21.432 -15.786 1.00 0.00 C ATOM 455 NZ LYS A 29 7.379 -21.363 -14.844 1.00 0.00 N ATOM 0 H LYS A 29 4.282 -15.559 -17.003 1.00 0.00 H new ATOM 0 HA LYS A 29 4.266 -16.906 -14.552 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.374 -17.901 -16.857 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.055 -17.417 -16.951 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.534 -18.772 -14.873 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.862 -19.296 -14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.197 -20.207 -17.218 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.901 -19.824 -17.068 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.345 -21.720 -15.247 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.439 -22.210 -16.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.568 -22.310 -14.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.224 -21.016 -15.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.144 -20.714 -14.066 1.00 0.00 H new ATOM 469 N LEU A 30 7.140 -15.408 -15.257 1.00 0.00 N ATOM 470 CA LEU A 30 8.394 -14.919 -14.706 1.00 0.00 C ATOM 471 C LEU A 30 8.139 -14.197 -13.379 1.00 0.00 C ATOM 472 O LEU A 30 8.570 -14.664 -12.321 1.00 0.00 O ATOM 473 CB LEU A 30 9.116 -14.012 -15.726 1.00 0.00 C ATOM 474 CG LEU A 30 10.649 -14.055 -15.618 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.272 -12.957 -16.486 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.176 -14.002 -14.179 1.00 0.00 C ATOM 0 H LEU A 30 7.005 -15.164 -16.238 1.00 0.00 H new ATOM 0 HA LEU A 30 9.051 -15.765 -14.503 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.824 -14.309 -16.733 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.780 -12.985 -15.586 1.00 0.00 H new ATOM 0 HG LEU A 30 10.958 -15.030 -15.995 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.358 -12.998 -16.401 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.984 -13.108 -17.526 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.918 -11.982 -16.149 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.265 -14.037 -14.189 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.847 -13.077 -13.705 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.791 -14.854 -13.619 1.00 0.00 H new ATOM 488 N LEU A 31 7.445 -13.054 -13.417 1.00 0.00 N ATOM 489 CA LEU A 31 7.304 -12.248 -12.211 1.00 0.00 C ATOM 490 C LEU A 31 6.400 -12.904 -11.170 1.00 0.00 C ATOM 491 O LEU A 31 6.628 -12.706 -9.984 1.00 0.00 O ATOM 492 CB LEU A 31 6.995 -10.767 -12.478 1.00 0.00 C ATOM 493 CG LEU A 31 5.531 -10.334 -12.591 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.427 -8.815 -12.749 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.914 -10.951 -13.826 1.00 0.00 C ATOM 0 H LEU A 31 6.986 -12.678 -14.247 1.00 0.00 H new ATOM 0 HA LEU A 31 8.294 -12.221 -11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.452 -10.184 -11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.496 -10.486 -13.404 1.00 0.00 H new ATOM 0 HG LEU A 31 5.017 -10.657 -11.686 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.378 -8.528 -12.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.872 -8.328 -11.882 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.956 -8.506 -13.650 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.872 -10.642 -13.905 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.459 -10.619 -14.710 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.966 -12.037 -13.755 1.00 0.00 H new ATOM 507 N LEU A 32 5.402 -13.707 -11.548 1.00 0.00 N ATOM 508 CA LEU A 32 4.600 -14.367 -10.522 1.00 0.00 C ATOM 509 C LEU A 32 5.439 -15.381 -9.757 1.00 0.00 C ATOM 510 O LEU A 32 5.392 -15.400 -8.530 1.00 0.00 O ATOM 511 CB LEU A 32 3.322 -14.974 -11.105 1.00 0.00 C ATOM 512 CG LEU A 32 2.165 -13.964 -11.158 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.578 -12.578 -11.654 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.060 -14.548 -12.037 1.00 0.00 C ATOM 0 H LEU A 32 5.140 -13.909 -12.513 1.00 0.00 H new ATOM 0 HA LEU A 32 4.273 -13.614 -9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.524 -15.344 -12.110 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.024 -15.833 -10.504 1.00 0.00 H new ATOM 0 HG LEU A 32 1.812 -13.807 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.708 -11.921 -11.664 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.337 -12.165 -10.990 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.983 -12.658 -12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.227 -13.847 -12.089 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.448 -14.725 -13.040 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.715 -15.490 -11.610 1.00 0.00 H new ATOM 526 N GLN A 33 6.240 -16.190 -10.450 1.00 0.00 N ATOM 527 CA GLN A 33 7.154 -17.094 -9.769 1.00 0.00 C ATOM 528 C GLN A 33 8.155 -16.301 -8.929 1.00 0.00 C ATOM 529 O GLN A 33 8.372 -16.614 -7.763 1.00 0.00 O ATOM 530 CB GLN A 33 7.875 -17.981 -10.790 1.00 0.00 C ATOM 531 CG GLN A 33 7.193 -19.345 -10.965 1.00 0.00 C ATOM 532 CD GLN A 33 5.671 -19.299 -11.104 1.00 0.00 C ATOM 533 OE1 GLN A 33 4.959 -19.964 -10.356 1.00 0.00 O ATOM 534 NE2 GLN A 33 5.148 -18.533 -12.055 1.00 0.00 N ATOM 0 H GLN A 33 6.272 -16.235 -11.468 1.00 0.00 H new ATOM 0 HA GLN A 33 6.584 -17.738 -9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.910 -17.469 -11.752 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.907 -18.132 -10.472 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.608 -19.830 -11.849 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.445 -19.972 -10.109 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.758 -17.989 -12.665 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.136 -18.489 -12.175 1.00 0.00 H new ATOM 543 N THR A 34 8.782 -15.291 -9.527 1.00 0.00 N ATOM 544 CA THR A 34 9.860 -14.577 -8.853 1.00 0.00 C ATOM 545 C THR A 34 9.338 -13.813 -7.628 1.00 0.00 C ATOM 546 O THR A 34 9.901 -13.923 -6.542 1.00 0.00 O ATOM 547 CB THR A 34 10.606 -13.669 -9.839 1.00 0.00 C ATOM 548 OG1 THR A 34 10.973 -14.419 -10.979 1.00 0.00 O ATOM 549 CG2 THR A 34 11.888 -13.109 -9.216 1.00 0.00 C ATOM 0 H THR A 34 8.565 -14.953 -10.465 1.00 0.00 H new ATOM 0 HA THR A 34 10.580 -15.305 -8.480 1.00 0.00 H new ATOM 0 HB THR A 34 9.942 -12.846 -10.103 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.186 -14.557 -11.547 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.395 -12.469 -9.939 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.637 -12.527 -8.329 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.546 -13.932 -8.936 1.00 0.00 H new ATOM 557 N GLU A 35 8.280 -13.020 -7.806 1.00 0.00 N ATOM 558 CA GLU A 35 7.750 -12.138 -6.783 1.00 0.00 C ATOM 559 C GLU A 35 6.790 -12.873 -5.846 1.00 0.00 C ATOM 560 O GLU A 35 6.838 -12.637 -4.641 1.00 0.00 O ATOM 561 CB GLU A 35 7.084 -10.917 -7.432 1.00 0.00 C ATOM 562 CG GLU A 35 7.963 -10.240 -8.498 1.00 0.00 C ATOM 563 CD GLU A 35 9.340 -9.819 -7.996 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.403 -9.268 -6.876 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.305 -10.039 -8.763 1.00 0.00 O ATOM 0 H GLU A 35 7.763 -12.977 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 35 8.580 -11.789 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.143 -11.225 -7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.840 -10.190 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.088 -10.924 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.442 -9.361 -8.878 1.00 0.00 H new ATOM 572 N PHE A 36 5.923 -13.759 -6.364 1.00 0.00 N ATOM 573 CA PHE A 36 4.931 -14.459 -5.549 1.00 0.00 C ATOM 574 C PHE A 36 5.101 -15.989 -5.638 1.00 0.00 C ATOM 575 O PHE A 36 4.154 -16.652 -6.063 1.00 0.00 O ATOM 576 CB PHE A 36 3.526 -14.016 -6.004 1.00 0.00 C ATOM 577 CG PHE A 36 3.364 -12.526 -6.265 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.827 -11.579 -5.331 1.00 0.00 C ATOM 579 CD2 PHE A 36 2.853 -12.086 -7.501 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.865 -10.215 -5.667 1.00 0.00 C ATOM 581 CE2 PHE A 36 2.873 -10.721 -7.831 1.00 0.00 C ATOM 582 CZ PHE A 36 3.412 -9.789 -6.928 1.00 0.00 C ATOM 0 H PHE A 36 5.894 -14.005 -7.353 1.00 0.00 H new ATOM 0 HA PHE A 36 5.072 -14.198 -4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.270 -14.557 -6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.805 -14.315 -5.243 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.154 -11.902 -4.354 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.444 -12.802 -8.199 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.242 -9.494 -4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.474 -10.388 -8.778 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.478 -8.747 -7.202 1.00 0.00 H new ATOM 726 N LEU A 46 -1.183 -21.613 -14.529 1.00 0.00 N ATOM 727 CA LEU A 46 -0.905 -20.373 -15.244 1.00 0.00 C ATOM 728 C LEU A 46 -1.918 -20.170 -16.358 1.00 0.00 C ATOM 729 O LEU A 46 -2.365 -19.052 -16.560 1.00 0.00 O ATOM 730 CB LEU A 46 0.512 -20.365 -15.838 1.00 0.00 C ATOM 731 CG LEU A 46 0.854 -19.058 -16.591 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.241 -17.943 -15.613 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.014 -19.334 -17.550 1.00 0.00 C ATOM 0 HA LEU A 46 -0.979 -19.558 -14.523 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.235 -20.514 -15.036 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.616 -21.208 -16.522 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.024 -18.727 -17.145 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.476 -17.036 -16.170 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.409 -17.748 -14.936 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.113 -18.251 -15.036 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.266 -18.420 -18.088 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.882 -19.673 -16.984 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.722 -20.106 -18.262 1.00 0.00 H new ATOM 745 N ASP A 47 -2.278 -21.229 -17.083 1.00 0.00 N ATOM 746 CA ASP A 47 -3.282 -21.136 -18.128 1.00 0.00 C ATOM 747 C ASP A 47 -4.553 -20.472 -17.590 1.00 0.00 C ATOM 748 O ASP A 47 -4.966 -19.416 -18.061 1.00 0.00 O ATOM 749 CB ASP A 47 -3.562 -22.547 -18.653 1.00 0.00 C ATOM 750 CG ASP A 47 -4.688 -22.555 -19.683 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.609 -21.727 -20.617 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.595 -23.397 -19.521 1.00 0.00 O ATOM 0 H ASP A 47 -1.884 -22.162 -16.961 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.920 -20.515 -18.947 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.656 -22.954 -19.102 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.826 -23.199 -17.820 1.00 0.00 H new ATOM 757 N GLU A 48 -5.142 -21.077 -16.560 1.00 0.00 N ATOM 758 CA GLU A 48 -6.404 -20.627 -15.994 1.00 0.00 C ATOM 759 C GLU A 48 -6.234 -19.234 -15.400 1.00 0.00 C ATOM 760 O GLU A 48 -7.019 -18.329 -15.678 1.00 0.00 O ATOM 761 CB GLU A 48 -6.851 -21.637 -14.935 1.00 0.00 C ATOM 762 CG GLU A 48 -8.228 -21.304 -14.346 1.00 0.00 C ATOM 763 CD GLU A 48 -8.644 -22.339 -13.306 1.00 0.00 C ATOM 764 OE1 GLU A 48 -7.953 -22.403 -12.266 1.00 0.00 O ATOM 765 OE2 GLU A 48 -9.635 -23.051 -13.571 1.00 0.00 O ATOM 0 H GLU A 48 -4.752 -21.897 -16.095 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.170 -20.565 -16.767 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.880 -22.633 -15.377 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.114 -21.666 -14.132 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.202 -20.315 -13.889 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.969 -21.267 -15.144 1.00 0.00 H new ATOM 772 N LEU A 49 -5.198 -19.071 -14.575 1.00 0.00 N ATOM 773 CA LEU A 49 -4.872 -17.814 -13.929 1.00 0.00 C ATOM 774 C LEU A 49 -4.809 -16.715 -14.988 1.00 0.00 C ATOM 775 O LEU A 49 -5.525 -15.721 -14.895 1.00 0.00 O ATOM 776 CB LEU A 49 -3.560 -17.999 -13.149 1.00 0.00 C ATOM 777 CG LEU A 49 -3.098 -16.826 -12.267 1.00 0.00 C ATOM 778 CD1 LEU A 49 -2.421 -15.708 -13.065 1.00 0.00 C ATOM 779 CD2 LEU A 49 -4.228 -16.268 -11.395 1.00 0.00 C ATOM 0 H LEU A 49 -4.555 -19.827 -14.338 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.634 -17.510 -13.211 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.665 -18.879 -12.514 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.768 -18.216 -13.866 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.344 -17.246 -11.602 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.118 -14.910 -12.388 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.543 -16.105 -13.574 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.120 -15.312 -13.802 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.849 -15.443 -10.792 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.037 -15.910 -12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.603 -17.054 -10.739 1.00 0.00 H new ATOM 791 N PHE A 50 -3.989 -16.912 -16.022 1.00 0.00 N ATOM 792 CA PHE A 50 -3.842 -15.977 -17.120 1.00 0.00 C ATOM 793 C PHE A 50 -5.187 -15.701 -17.787 1.00 0.00 C ATOM 794 O PHE A 50 -5.521 -14.542 -18.011 1.00 0.00 O ATOM 795 CB PHE A 50 -2.816 -16.492 -18.135 1.00 0.00 C ATOM 796 CG PHE A 50 -2.255 -15.399 -19.017 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.911 -15.011 -20.199 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.116 -14.697 -18.591 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.375 -13.974 -20.985 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.656 -13.590 -19.316 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.215 -13.299 -20.565 1.00 0.00 C ATOM 0 H PHE A 50 -3.403 -17.741 -16.114 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.473 -15.034 -16.717 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.998 -16.976 -17.602 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.283 -17.252 -18.761 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.822 -15.506 -20.502 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.592 -15.012 -17.701 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.855 -13.696 -21.912 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.126 -12.964 -18.913 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.757 -12.559 -21.204 1.00 0.00 H new ATOM 811 N GLU A 51 -5.972 -16.740 -18.098 1.00 0.00 N ATOM 812 CA GLU A 51 -7.274 -16.543 -18.731 1.00 0.00 C ATOM 813 C GLU A 51 -8.190 -15.684 -17.860 1.00 0.00 C ATOM 814 O GLU A 51 -8.924 -14.839 -18.365 1.00 0.00 O ATOM 815 CB GLU A 51 -7.933 -17.896 -19.022 1.00 0.00 C ATOM 816 CG GLU A 51 -7.210 -18.600 -20.171 1.00 0.00 C ATOM 817 CD GLU A 51 -7.685 -20.040 -20.345 1.00 0.00 C ATOM 818 OE1 GLU A 51 -7.492 -20.822 -19.390 1.00 0.00 O ATOM 819 OE2 GLU A 51 -8.245 -20.328 -21.425 1.00 0.00 O ATOM 0 H GLU A 51 -5.728 -17.715 -17.922 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.114 -16.016 -19.672 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.907 -18.521 -18.129 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.982 -17.750 -19.278 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.376 -18.049 -21.096 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.136 -18.592 -19.983 1.00 0.00 H new ATOM 826 N GLU A 52 -8.153 -15.919 -16.550 1.00 0.00 N ATOM 827 CA GLU A 52 -9.003 -15.217 -15.599 1.00 0.00 C ATOM 828 C GLU A 52 -8.565 -13.753 -15.515 1.00 0.00 C ATOM 829 O GLU A 52 -9.381 -12.834 -15.515 1.00 0.00 O ATOM 830 CB GLU A 52 -8.916 -15.924 -14.237 1.00 0.00 C ATOM 831 CG GLU A 52 -9.926 -15.362 -13.226 1.00 0.00 C ATOM 832 CD GLU A 52 -9.791 -16.001 -11.846 1.00 0.00 C ATOM 833 OE1 GLU A 52 -9.260 -17.131 -11.778 1.00 0.00 O ATOM 834 OE2 GLU A 52 -10.218 -15.340 -10.875 1.00 0.00 O ATOM 0 H GLU A 52 -7.531 -16.603 -16.120 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.044 -15.233 -15.922 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.094 -16.991 -14.371 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.907 -15.817 -13.838 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.786 -14.285 -13.139 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.937 -15.523 -13.600 1.00 0.00 H new ATOM 841 N LEU A 53 -7.254 -13.560 -15.408 1.00 0.00 N ATOM 842 CA LEU A 53 -6.603 -12.278 -15.226 1.00 0.00 C ATOM 843 C LEU A 53 -6.784 -11.401 -16.468 1.00 0.00 C ATOM 844 O LEU A 53 -7.184 -10.241 -16.370 1.00 0.00 O ATOM 845 CB LEU A 53 -5.128 -12.589 -14.943 1.00 0.00 C ATOM 846 CG LEU A 53 -4.306 -11.463 -14.319 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.894 -12.022 -14.117 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.257 -10.196 -15.161 1.00 0.00 C ATOM 0 H LEU A 53 -6.590 -14.333 -15.448 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.036 -11.713 -14.400 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.082 -13.454 -14.281 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.654 -12.880 -15.880 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.775 -11.159 -13.383 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.260 -11.256 -13.671 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.936 -12.888 -13.456 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.480 -12.321 -15.080 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.655 -9.444 -14.651 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.813 -10.420 -16.131 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.268 -9.815 -15.305 1.00 0.00 H new ATOM 860 N ASP A 54 -6.457 -11.947 -17.642 1.00 0.00 N ATOM 861 CA ASP A 54 -6.445 -11.236 -18.913 1.00 0.00 C ATOM 862 C ASP A 54 -7.881 -11.013 -19.388 1.00 0.00 C ATOM 863 O ASP A 54 -8.341 -11.623 -20.348 1.00 0.00 O ATOM 864 CB ASP A 54 -5.630 -12.036 -19.938 1.00 0.00 C ATOM 865 CG ASP A 54 -5.564 -11.427 -21.343 1.00 0.00 C ATOM 866 OD1 ASP A 54 -6.084 -10.308 -21.550 1.00 0.00 O ATOM 867 OD2 ASP A 54 -5.000 -12.114 -22.222 1.00 0.00 O ATOM 0 H ASP A 54 -6.186 -12.926 -17.732 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.974 -10.260 -18.793 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.614 -12.149 -19.561 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.055 -13.037 -20.014 1.00 0.00 H new ATOM 872 N LYS A 55 -8.573 -10.102 -18.712 1.00 0.00 N ATOM 873 CA LYS A 55 -9.947 -9.713 -18.995 1.00 0.00 C ATOM 874 C LYS A 55 -10.131 -9.331 -20.469 1.00 0.00 C ATOM 875 O LYS A 55 -11.175 -9.607 -21.054 1.00 0.00 O ATOM 876 CB LYS A 55 -10.337 -8.566 -18.053 1.00 0.00 C ATOM 877 CG LYS A 55 -11.836 -8.249 -18.125 1.00 0.00 C ATOM 878 CD LYS A 55 -12.193 -7.157 -17.107 1.00 0.00 C ATOM 879 CE LYS A 55 -13.665 -6.743 -17.211 1.00 0.00 C ATOM 880 NZ LYS A 55 -14.578 -7.860 -16.910 1.00 0.00 N ATOM 0 H LYS A 55 -8.175 -9.595 -17.921 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.609 -10.560 -18.817 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.071 -8.831 -17.030 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.765 -7.675 -18.311 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.098 -7.920 -19.130 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.416 -9.149 -17.923 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.987 -7.518 -16.099 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.558 -6.286 -17.270 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.859 -5.921 -16.522 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.866 -6.371 -18.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.558 -7.512 -16.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.484 -8.592 -17.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.338 -8.265 -15.983 1.00 0.00 H new ATOM 923 N GLY A 59 -4.130 -12.122 -24.847 1.00 0.00 N ATOM 924 CA GLY A 59 -2.946 -12.965 -24.740 1.00 0.00 C ATOM 925 C GLY A 59 -1.826 -12.232 -23.996 1.00 0.00 C ATOM 926 O GLY A 59 -0.668 -12.640 -24.046 1.00 0.00 O ATOM 0 HA2 GLY A 59 -3.196 -13.887 -24.215 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.604 -13.248 -25.735 1.00 0.00 H new ATOM 930 N GLU A 60 -2.180 -11.150 -23.295 1.00 0.00 N ATOM 931 CA GLU A 60 -1.274 -10.189 -22.698 1.00 0.00 C ATOM 932 C GLU A 60 -2.002 -9.550 -21.518 1.00 0.00 C ATOM 933 O GLU A 60 -3.231 -9.523 -21.504 1.00 0.00 O ATOM 934 CB GLU A 60 -0.942 -9.106 -23.724 1.00 0.00 C ATOM 935 CG GLU A 60 -0.104 -9.555 -24.932 1.00 0.00 C ATOM 936 CD GLU A 60 1.294 -10.030 -24.542 1.00 0.00 C ATOM 937 OE1 GLU A 60 1.880 -9.384 -23.648 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.756 -11.025 -25.140 1.00 0.00 O ATOM 0 H GLU A 60 -3.159 -10.918 -23.125 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.352 -10.673 -22.375 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.877 -8.684 -24.093 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.408 -8.303 -23.215 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.625 -10.361 -25.450 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.018 -8.727 -25.636 1.00 0.00 H new ATOM 945 N VAL A 61 -1.249 -9.033 -20.547 1.00 0.00 N ATOM 946 CA VAL A 61 -1.757 -8.469 -19.306 1.00 0.00 C ATOM 947 C VAL A 61 -1.222 -7.046 -19.150 1.00 0.00 C ATOM 948 O VAL A 61 -0.016 -6.861 -18.986 1.00 0.00 O ATOM 949 CB VAL A 61 -1.337 -9.391 -18.145 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.620 -8.754 -16.781 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.112 -10.707 -18.251 1.00 0.00 C ATOM 0 H VAL A 61 -0.232 -8.996 -20.610 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.845 -8.408 -19.309 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.263 -9.563 -18.221 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.310 -9.436 -15.989 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.065 -7.820 -16.693 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.687 -8.552 -16.688 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.822 -11.367 -17.433 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.182 -10.505 -18.192 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.885 -11.187 -19.203 1.00 0.00 H new ATOM 961 N SER A 62 -2.112 -6.049 -19.211 1.00 0.00 N ATOM 962 CA SER A 62 -1.812 -4.655 -18.889 1.00 0.00 C ATOM 963 C SER A 62 -1.574 -4.482 -17.389 1.00 0.00 C ATOM 964 O SER A 62 -1.921 -5.370 -16.609 1.00 0.00 O ATOM 965 CB SER A 62 -2.990 -3.779 -19.327 1.00 0.00 C ATOM 966 OG SER A 62 -4.176 -4.214 -18.682 1.00 0.00 O ATOM 0 H SER A 62 -3.081 -6.195 -19.492 1.00 0.00 H new ATOM 0 HA SER A 62 -0.905 -4.357 -19.415 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.792 -2.736 -19.080 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.113 -3.832 -20.409 1.00 0.00 H new ATOM 0 HG SER A 62 -4.545 -4.985 -19.162 1.00 0.00 H new ATOM 972 N PHE A 63 -1.052 -3.324 -16.957 1.00 0.00 N ATOM 973 CA PHE A 63 -1.006 -3.017 -15.531 1.00 0.00 C ATOM 974 C PHE A 63 -2.410 -3.089 -14.937 1.00 0.00 C ATOM 975 O PHE A 63 -2.611 -3.620 -13.848 1.00 0.00 O ATOM 976 CB PHE A 63 -0.411 -1.628 -15.279 1.00 0.00 C ATOM 977 CG PHE A 63 -0.442 -1.226 -13.817 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.192 -2.044 -12.863 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.255 -0.159 -13.394 1.00 0.00 C ATOM 980 CE1 PHE A 63 -0.018 -1.817 -11.491 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.426 0.096 -12.022 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.817 -0.740 -11.070 1.00 0.00 C ATOM 0 H PHE A 63 -0.665 -2.602 -17.565 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.365 -3.756 -15.049 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.620 -1.611 -15.633 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.961 -0.891 -15.864 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.840 -2.846 -13.185 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.749 0.465 -14.124 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.435 -2.471 -10.760 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.025 0.934 -11.699 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.963 -0.555 -10.016 1.00 0.00 H new ATOM 992 N GLU A 64 -3.390 -2.556 -15.666 1.00 0.00 N ATOM 993 CA GLU A 64 -4.772 -2.505 -15.225 1.00 0.00 C ATOM 994 C GLU A 64 -5.277 -3.922 -14.958 1.00 0.00 C ATOM 995 O GLU A 64 -5.819 -4.195 -13.890 1.00 0.00 O ATOM 996 CB GLU A 64 -5.632 -1.774 -16.268 1.00 0.00 C ATOM 997 CG GLU A 64 -5.347 -0.261 -16.333 1.00 0.00 C ATOM 998 CD GLU A 64 -3.925 0.095 -16.767 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.399 -0.619 -17.650 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.375 1.054 -16.186 1.00 0.00 O ATOM 0 H GLU A 64 -3.239 -2.145 -16.587 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.843 -1.943 -14.294 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.454 -2.214 -17.249 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.685 -1.930 -16.035 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.051 0.200 -17.026 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.534 0.174 -15.351 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.065 -4.835 -15.909 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.419 -6.232 -15.697 1.00 0.00 C ATOM 1009 C GLU A 65 -4.626 -6.805 -14.522 1.00 0.00 C ATOM 1010 O GLU A 65 -5.190 -7.449 -13.642 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.186 -7.016 -16.988 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.241 -6.608 -18.019 1.00 0.00 C ATOM 1013 CD GLU A 65 -5.878 -7.100 -19.410 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.833 -6.621 -19.908 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.651 -7.927 -19.940 1.00 0.00 O ATOM 0 H GLU A 65 -4.655 -4.632 -16.821 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.475 -6.314 -15.441 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.186 -6.817 -17.374 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.245 -8.087 -16.793 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.210 -7.014 -17.730 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.340 -5.523 -18.030 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.320 -6.545 -14.481 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.460 -7.006 -13.395 1.00 0.00 C ATOM 1024 C PHE A 66 -3.021 -6.591 -12.035 1.00 0.00 C ATOM 1025 O PHE A 66 -3.022 -7.371 -11.090 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.029 -6.502 -13.575 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.031 -7.196 -12.671 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.579 -8.393 -13.088 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.325 -6.627 -11.435 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.620 -8.950 -12.330 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.364 -7.188 -10.676 1.00 0.00 C ATOM 1032 CZ PHE A 66 2.042 -8.325 -11.145 1.00 0.00 C ATOM 0 H PHE A 66 -2.830 -6.010 -15.198 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.437 -8.095 -13.428 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.729 -6.645 -14.613 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.001 -5.430 -13.380 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.246 -8.883 -13.991 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.201 -5.758 -11.070 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.098 -9.861 -12.658 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.642 -6.745 -9.731 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.885 -8.718 -10.596 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.544 -5.373 -11.924 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.161 -4.903 -10.696 1.00 0.00 C ATOM 1044 C GLN A 67 -5.283 -5.843 -10.223 1.00 0.00 C ATOM 1045 O GLN A 67 -5.477 -6.013 -9.021 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.636 -3.459 -10.885 1.00 0.00 C ATOM 1047 CG GLN A 67 -4.763 -2.750 -9.533 1.00 0.00 C ATOM 1048 CD GLN A 67 -5.254 -1.318 -9.696 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -6.284 -0.946 -9.144 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -4.524 -0.499 -10.450 1.00 0.00 N ATOM 0 H GLN A 67 -3.550 -4.690 -12.681 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.419 -4.913 -9.898 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.933 -2.920 -11.520 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.598 -3.451 -11.397 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.454 -3.302 -8.895 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.796 -2.749 -9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.672 -0.840 -10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.817 0.469 -10.582 1.00 0.00 H new ATOM 1059 N VAL A 68 -5.995 -6.500 -11.145 1.00 0.00 N ATOM 1060 CA VAL A 68 -6.987 -7.510 -10.785 1.00 0.00 C ATOM 1061 C VAL A 68 -6.303 -8.704 -10.099 1.00 0.00 C ATOM 1062 O VAL A 68 -6.865 -9.286 -9.174 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.825 -7.936 -12.008 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.013 -8.806 -11.579 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.382 -6.719 -12.760 1.00 0.00 C ATOM 0 H VAL A 68 -5.900 -6.347 -12.149 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.686 -7.075 -10.071 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.159 -8.499 -12.662 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.589 -9.094 -12.458 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.646 -9.701 -11.076 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.649 -8.242 -10.897 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.967 -7.056 -13.616 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.018 -6.138 -12.092 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.557 -6.097 -13.107 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.081 -9.063 -10.511 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.276 -10.034 -9.778 1.00 0.00 C ATOM 1077 C LEU A 69 -3.894 -9.445 -8.419 1.00 0.00 C ATOM 1078 O LEU A 69 -4.011 -10.127 -7.404 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.031 -10.448 -10.580 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.198 -11.549 -9.906 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -2.914 -12.904 -9.920 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -0.854 -11.670 -10.627 1.00 0.00 C ATOM 0 H LEU A 69 -4.632 -8.693 -11.349 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.864 -10.939 -9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.343 -10.793 -11.566 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.401 -9.572 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.049 -11.269 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.288 -13.651 -9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.861 -12.821 -9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.103 -13.205 -10.950 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.257 -12.450 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.024 -11.927 -11.673 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.323 -10.720 -10.568 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.454 -8.181 -8.381 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.092 -7.528 -7.123 1.00 0.00 C ATOM 1096 C VAL A 70 -4.244 -7.611 -6.115 1.00 0.00 C ATOM 1097 O VAL A 70 -4.017 -7.895 -4.942 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.583 -6.089 -7.325 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.194 -5.445 -5.985 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.344 -6.071 -8.231 1.00 0.00 C ATOM 0 H VAL A 70 -3.341 -7.593 -9.207 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.249 -8.076 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.396 -5.528 -7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.838 -4.429 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.064 -5.417 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.404 -6.031 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.002 -5.044 -8.360 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.551 -6.663 -7.774 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.598 -6.493 -9.203 1.00 0.00 H new