USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=7 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 Set 1.1: A 13 TYR OH : rot -39:sc= 0.345 USER MOD Set 1.2: A 34 THR OG1 : rot 66:sc= 1.53 USER MOD Set 2.1: A 22 GLN : amide:sc= 0.601 K(o=1.4,f=-0.34) USER MOD Set 2.2: A 62 SER OG : rot 151:sc= 0.788 USER MOD Single : A 2 SER OG : rot 22:sc= 0.601 USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= 0.21 (180deg=-0.0905) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.667 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0448) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.066) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.683 X(o=-0.68,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 2.239 -0.715 -1.690 1.00 0.00 N ATOM 26 CA SER A 2 2.293 -1.952 -2.447 1.00 0.00 C ATOM 27 C SER A 2 1.852 -1.778 -3.902 1.00 0.00 C ATOM 28 O SER A 2 2.611 -2.177 -4.778 1.00 0.00 O ATOM 29 CB SER A 2 1.545 -3.074 -1.718 1.00 0.00 C ATOM 30 OG SER A 2 1.614 -2.859 -0.321 1.00 0.00 O ATOM 0 HA SER A 2 3.339 -2.253 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.504 -3.101 -2.041 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.982 -4.040 -1.970 1.00 0.00 H new ATOM 0 HG SER A 2 1.794 -1.912 -0.144 1.00 0.00 H new ATOM 36 N PRO A 3 0.691 -1.167 -4.204 1.00 0.00 N ATOM 37 CA PRO A 3 0.273 -0.927 -5.579 1.00 0.00 C ATOM 38 C PRO A 3 1.375 -0.290 -6.429 1.00 0.00 C ATOM 39 O PRO A 3 1.611 -0.718 -7.556 1.00 0.00 O ATOM 40 CB PRO A 3 -0.967 -0.033 -5.486 1.00 0.00 C ATOM 41 CG PRO A 3 -1.556 -0.417 -4.130 1.00 0.00 C ATOM 42 CD PRO A 3 -0.301 -0.623 -3.285 1.00 0.00 C ATOM 0 HA PRO A 3 0.051 -1.867 -6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.708 1.025 -5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.666 -0.224 -6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.195 0.368 -3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.161 -1.322 -4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.039 0.316 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.490 -1.308 -2.459 1.00 0.00 H new ATOM 50 N GLU A 4 2.065 0.717 -5.883 1.00 0.00 N ATOM 51 CA GLU A 4 3.107 1.437 -6.595 1.00 0.00 C ATOM 52 C GLU A 4 4.344 0.557 -6.756 1.00 0.00 C ATOM 53 O GLU A 4 4.949 0.524 -7.826 1.00 0.00 O ATOM 54 CB GLU A 4 3.438 2.749 -5.868 1.00 0.00 C ATOM 55 CG GLU A 4 2.190 3.591 -5.563 1.00 0.00 C ATOM 56 CD GLU A 4 1.320 3.810 -6.798 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.828 4.449 -7.744 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.169 3.322 -6.776 1.00 0.00 O ATOM 0 H GLU A 4 1.910 1.051 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 4 2.748 1.690 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.955 2.522 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.125 3.334 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.601 3.097 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.496 4.557 -5.161 1.00 0.00 H new ATOM 65 N GLU A 5 4.718 -0.175 -5.703 1.00 0.00 N ATOM 66 CA GLU A 5 5.816 -1.130 -5.792 1.00 0.00 C ATOM 67 C GLU A 5 5.541 -2.137 -6.916 1.00 0.00 C ATOM 68 O GLU A 5 6.371 -2.347 -7.799 1.00 0.00 O ATOM 69 CB GLU A 5 6.002 -1.825 -4.433 1.00 0.00 C ATOM 70 CG GLU A 5 7.237 -2.737 -4.397 1.00 0.00 C ATOM 71 CD GLU A 5 8.533 -1.959 -4.607 1.00 0.00 C ATOM 72 OE1 GLU A 5 8.817 -1.100 -3.744 1.00 0.00 O ATOM 73 OE2 GLU A 5 9.203 -2.227 -5.626 1.00 0.00 O ATOM 0 H GLU A 5 4.277 -0.122 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 5 6.744 -0.612 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.091 -1.069 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.114 -2.414 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.277 -3.254 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.145 -3.502 -5.168 1.00 0.00 H new ATOM 80 N LEU A 6 4.359 -2.751 -6.882 1.00 0.00 N ATOM 81 CA LEU A 6 3.956 -3.770 -7.837 1.00 0.00 C ATOM 82 C LEU A 6 3.867 -3.164 -9.233 1.00 0.00 C ATOM 83 O LEU A 6 4.258 -3.816 -10.195 1.00 0.00 O ATOM 84 CB LEU A 6 2.632 -4.423 -7.422 1.00 0.00 C ATOM 85 CG LEU A 6 2.686 -5.017 -6.001 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.279 -5.014 -5.401 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.236 -6.443 -6.014 1.00 0.00 C ATOM 0 H LEU A 6 3.648 -2.548 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 6 4.710 -4.557 -7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.834 -3.682 -7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.381 -5.211 -8.132 1.00 0.00 H new ATOM 0 HG LEU A 6 3.354 -4.404 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.311 -5.433 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.905 -3.991 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.617 -5.615 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.261 -6.833 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.595 -7.075 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.245 -6.440 -6.426 1.00 0.00 H new ATOM 99 N LYS A 7 3.390 -1.921 -9.355 1.00 0.00 N ATOM 100 CA LYS A 7 3.455 -1.185 -10.609 1.00 0.00 C ATOM 101 C LYS A 7 4.899 -1.111 -11.098 1.00 0.00 C ATOM 102 O LYS A 7 5.174 -1.482 -12.233 1.00 0.00 O ATOM 103 CB LYS A 7 2.841 0.211 -10.451 1.00 0.00 C ATOM 104 CG LYS A 7 2.708 0.916 -11.806 1.00 0.00 C ATOM 105 CD LYS A 7 1.997 2.264 -11.636 1.00 0.00 C ATOM 106 CE LYS A 7 1.997 3.063 -12.944 1.00 0.00 C ATOM 107 NZ LYS A 7 1.350 2.324 -14.044 1.00 0.00 N ATOM 0 H LYS A 7 2.953 -1.406 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 7 2.870 -1.714 -11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.860 0.129 -9.983 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.462 0.811 -9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.695 1.070 -12.242 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.148 0.287 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.971 2.097 -11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.491 2.842 -10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.480 4.010 -12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.023 3.302 -13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.845 2.992 -14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.073 1.821 -14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.675 1.637 -13.651 1.00 0.00 H new ATOM 121 N GLY A 8 5.823 -0.655 -10.249 1.00 0.00 N ATOM 122 CA GLY A 8 7.236 -0.586 -10.585 1.00 0.00 C ATOM 123 C GLY A 8 7.742 -1.931 -11.107 1.00 0.00 C ATOM 124 O GLY A 8 8.275 -2.012 -12.215 1.00 0.00 O ATOM 0 H GLY A 8 5.606 -0.324 -9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.397 0.184 -11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.809 -0.295 -9.705 1.00 0.00 H new ATOM 128 N ILE A 9 7.559 -2.992 -10.317 1.00 0.00 N ATOM 129 CA ILE A 9 8.003 -4.330 -10.694 1.00 0.00 C ATOM 130 C ILE A 9 7.386 -4.727 -12.042 1.00 0.00 C ATOM 131 O ILE A 9 8.105 -5.081 -12.978 1.00 0.00 O ATOM 132 CB ILE A 9 7.661 -5.357 -9.595 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.316 -5.070 -8.233 1.00 0.00 C ATOM 134 CG2 ILE A 9 8.154 -6.724 -10.074 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.590 -5.838 -7.118 1.00 0.00 C ATOM 0 H ILE A 9 7.102 -2.946 -9.406 1.00 0.00 H new ATOM 0 HA ILE A 9 9.088 -4.321 -10.802 1.00 0.00 H new ATOM 0 HB ILE A 9 6.583 -5.311 -9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.366 -5.360 -8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.286 -4.000 -8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.928 -7.477 -9.319 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.655 -6.984 -11.007 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.231 -6.686 -10.237 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.065 -5.625 -6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.546 -5.527 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.643 -6.908 -7.319 1.00 0.00 H new ATOM 147 N PHE A 10 6.055 -4.658 -12.130 1.00 0.00 N ATOM 148 CA PHE A 10 5.287 -4.939 -13.333 1.00 0.00 C ATOM 149 C PHE A 10 5.929 -4.235 -14.528 1.00 0.00 C ATOM 150 O PHE A 10 6.254 -4.884 -15.517 1.00 0.00 O ATOM 151 CB PHE A 10 3.819 -4.522 -13.128 1.00 0.00 C ATOM 152 CG PHE A 10 2.976 -4.533 -14.388 1.00 0.00 C ATOM 153 CD1 PHE A 10 3.095 -3.473 -15.303 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.231 -5.671 -14.746 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.661 -3.637 -16.622 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.641 -5.751 -16.019 1.00 0.00 C ATOM 157 CZ PHE A 10 1.902 -4.761 -16.977 1.00 0.00 C ATOM 0 H PHE A 10 5.469 -4.396 -11.337 1.00 0.00 H new ATOM 0 HA PHE A 10 5.293 -6.009 -13.539 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.364 -5.190 -12.397 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.796 -3.520 -12.701 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.521 -2.532 -14.988 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.112 -6.483 -14.043 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.911 -2.897 -17.368 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.986 -6.575 -16.260 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.521 -4.864 -17.982 1.00 0.00 H new ATOM 167 N GLU A 11 6.124 -2.918 -14.430 1.00 0.00 N ATOM 168 CA GLU A 11 6.676 -2.108 -15.502 1.00 0.00 C ATOM 169 C GLU A 11 8.073 -2.594 -15.886 1.00 0.00 C ATOM 170 O GLU A 11 8.377 -2.706 -17.070 1.00 0.00 O ATOM 171 CB GLU A 11 6.681 -0.625 -15.110 1.00 0.00 C ATOM 172 CG GLU A 11 5.259 -0.041 -15.125 1.00 0.00 C ATOM 173 CD GLU A 11 5.221 1.419 -14.691 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.923 1.747 -13.709 1.00 0.00 O ATOM 175 OE2 GLU A 11 4.467 2.181 -15.333 1.00 0.00 O ATOM 0 H GLU A 11 5.898 -2.384 -13.591 1.00 0.00 H new ATOM 0 HA GLU A 11 6.040 -2.216 -16.381 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.114 -0.510 -14.116 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.314 -0.066 -15.799 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.845 -0.129 -16.129 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.622 -0.629 -14.465 1.00 0.00 H new ATOM 182 N LYS A 12 8.930 -2.876 -14.902 1.00 0.00 N ATOM 183 CA LYS A 12 10.281 -3.352 -15.176 1.00 0.00 C ATOM 184 C LYS A 12 10.261 -4.682 -15.934 1.00 0.00 C ATOM 185 O LYS A 12 11.005 -4.848 -16.898 1.00 0.00 O ATOM 186 CB LYS A 12 11.080 -3.457 -13.872 1.00 0.00 C ATOM 187 CG LYS A 12 11.363 -2.070 -13.279 1.00 0.00 C ATOM 188 CD LYS A 12 11.886 -2.207 -11.844 1.00 0.00 C ATOM 189 CE LYS A 12 12.122 -0.826 -11.227 1.00 0.00 C ATOM 190 NZ LYS A 12 12.585 -0.935 -9.832 1.00 0.00 N ATOM 0 H LYS A 12 8.709 -2.782 -13.911 1.00 0.00 H new ATOM 0 HA LYS A 12 10.777 -2.627 -15.821 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.526 -4.057 -13.151 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.021 -3.974 -14.060 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.096 -1.546 -13.893 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.453 -1.470 -13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.169 -2.764 -11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.815 -2.777 -11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.861 -0.283 -11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.199 -0.247 -11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.736 0.017 -9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.868 -1.432 -9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.478 -1.467 -9.803 1.00 0.00 H new ATOM 204 N TYR A 13 9.425 -5.634 -15.513 1.00 0.00 N ATOM 205 CA TYR A 13 9.229 -6.868 -16.267 1.00 0.00 C ATOM 206 C TYR A 13 8.680 -6.577 -17.667 1.00 0.00 C ATOM 207 O TYR A 13 9.309 -6.903 -18.670 1.00 0.00 O ATOM 208 CB TYR A 13 8.335 -7.820 -15.472 1.00 0.00 C ATOM 209 CG TYR A 13 9.094 -8.610 -14.427 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.860 -9.724 -14.814 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.983 -8.285 -13.066 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.514 -10.503 -13.845 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.690 -9.027 -12.105 1.00 0.00 C ATOM 214 CZ TYR A 13 10.430 -10.155 -12.489 1.00 0.00 C ATOM 215 OH TYR A 13 10.973 -10.950 -11.528 1.00 0.00 O ATOM 0 H TYR A 13 8.876 -5.572 -14.656 1.00 0.00 H new ATOM 0 HA TYR A 13 10.191 -7.359 -16.413 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.546 -7.247 -14.984 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.848 -8.512 -16.160 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.946 -9.981 -15.859 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.353 -7.464 -12.757 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.082 -11.371 -14.145 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.664 -8.728 -11.068 1.00 0.00 H new ATOM 0 HH TYR A 13 10.823 -11.891 -11.758 1.00 0.00 H new ATOM 225 N ALA A 14 7.504 -5.960 -17.731 1.00 0.00 N ATOM 226 CA ALA A 14 6.809 -5.565 -18.948 1.00 0.00 C ATOM 227 C ALA A 14 7.741 -4.933 -19.983 1.00 0.00 C ATOM 228 O ALA A 14 7.766 -5.354 -21.135 1.00 0.00 O ATOM 229 CB ALA A 14 5.683 -4.610 -18.561 1.00 0.00 C ATOM 0 H ALA A 14 6.984 -5.710 -16.890 1.00 0.00 H new ATOM 0 HA ALA A 14 6.404 -6.456 -19.427 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.146 -4.299 -19.457 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.995 -5.114 -17.882 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.103 -3.734 -18.067 1.00 0.00 H new ATOM 235 N ALA A 15 8.547 -3.956 -19.566 1.00 0.00 N ATOM 236 CA ALA A 15 9.539 -3.301 -20.412 1.00 0.00 C ATOM 237 C ALA A 15 10.434 -4.287 -21.178 1.00 0.00 C ATOM 238 O ALA A 15 10.849 -3.990 -22.296 1.00 0.00 O ATOM 239 CB ALA A 15 10.387 -2.349 -19.567 1.00 0.00 C ATOM 0 H ALA A 15 8.526 -3.593 -18.613 1.00 0.00 H new ATOM 0 HA ALA A 15 8.992 -2.741 -21.170 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.127 -1.861 -20.201 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.744 -1.595 -19.113 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.895 -2.912 -18.784 1.00 0.00 H new ATOM 329 N GLN A 22 2.698 -3.750 -20.483 1.00 0.00 N ATOM 330 CA GLN A 22 2.196 -5.061 -20.876 1.00 0.00 C ATOM 331 C GLN A 22 3.175 -6.210 -20.602 1.00 0.00 C ATOM 332 O GLN A 22 4.345 -6.127 -20.959 1.00 0.00 O ATOM 333 CB GLN A 22 1.757 -5.011 -22.342 1.00 0.00 C ATOM 334 CG GLN A 22 0.892 -6.220 -22.659 1.00 0.00 C ATOM 335 CD GLN A 22 -0.028 -5.946 -23.844 1.00 0.00 C ATOM 336 OE1 GLN A 22 0.293 -6.282 -24.977 1.00 0.00 O ATOM 337 NE2 GLN A 22 -1.190 -5.346 -23.594 1.00 0.00 N ATOM 0 HA GLN A 22 1.336 -5.287 -20.246 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.201 -4.093 -22.534 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.631 -4.996 -22.993 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.528 -7.077 -22.880 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.295 -6.482 -21.785 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.430 -5.077 -22.640 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.840 -5.155 -24.357 1.00 0.00 H new ATOM 346 N LEU A 23 2.678 -7.295 -19.994 1.00 0.00 N ATOM 347 CA LEU A 23 3.381 -8.556 -19.786 1.00 0.00 C ATOM 348 C LEU A 23 2.777 -9.571 -20.756 1.00 0.00 C ATOM 349 O LEU A 23 1.600 -9.450 -21.088 1.00 0.00 O ATOM 350 CB LEU A 23 3.112 -9.070 -18.360 1.00 0.00 C ATOM 351 CG LEU A 23 3.632 -8.194 -17.213 1.00 0.00 C ATOM 352 CD1 LEU A 23 3.090 -8.739 -15.893 1.00 0.00 C ATOM 353 CD2 LEU A 23 5.142 -8.219 -17.037 1.00 0.00 C ATOM 0 H LEU A 23 1.730 -7.312 -19.618 1.00 0.00 H new ATOM 0 HA LEU A 23 4.452 -8.420 -19.938 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.036 -9.191 -18.237 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.557 -10.060 -18.263 1.00 0.00 H new ATOM 0 HG LEU A 23 3.311 -7.182 -17.462 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.453 -8.124 -15.069 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.000 -8.716 -15.910 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.429 -9.766 -15.756 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.422 -7.573 -16.205 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.467 -9.239 -16.830 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.621 -7.864 -17.950 1.00 0.00 H new ATOM 365 N SER A 24 3.540 -10.582 -21.171 1.00 0.00 N ATOM 366 CA SER A 24 3.036 -11.742 -21.896 1.00 0.00 C ATOM 367 C SER A 24 2.749 -12.850 -20.883 1.00 0.00 C ATOM 368 O SER A 24 3.097 -12.702 -19.719 1.00 0.00 O ATOM 369 CB SER A 24 4.138 -12.185 -22.861 1.00 0.00 C ATOM 370 OG SER A 24 5.313 -12.475 -22.117 1.00 0.00 O ATOM 0 H SER A 24 4.546 -10.616 -21.008 1.00 0.00 H new ATOM 0 HA SER A 24 2.123 -11.515 -22.446 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.819 -13.065 -23.419 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.338 -11.400 -23.590 1.00 0.00 H new ATOM 0 HG SER A 24 6.024 -12.761 -22.727 1.00 0.00 H new ATOM 376 N LYS A 25 2.164 -13.980 -21.288 1.00 0.00 N ATOM 377 CA LYS A 25 2.112 -15.161 -20.430 1.00 0.00 C ATOM 378 C LYS A 25 3.492 -15.565 -19.914 1.00 0.00 C ATOM 379 O LYS A 25 3.626 -15.941 -18.753 1.00 0.00 O ATOM 380 CB LYS A 25 1.373 -16.315 -21.115 1.00 0.00 C ATOM 381 CG LYS A 25 1.982 -16.731 -22.463 1.00 0.00 C ATOM 382 CD LYS A 25 1.152 -17.867 -23.076 1.00 0.00 C ATOM 383 CE LYS A 25 1.652 -18.244 -24.476 1.00 0.00 C ATOM 384 NZ LYS A 25 3.040 -18.740 -24.458 1.00 0.00 N ATOM 0 H LYS A 25 1.723 -14.100 -22.200 1.00 0.00 H new ATOM 0 HA LYS A 25 1.533 -14.896 -19.546 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.368 -17.177 -20.448 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.333 -16.026 -21.271 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.006 -15.878 -23.141 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.013 -17.056 -22.323 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.196 -18.741 -22.426 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.106 -17.564 -23.132 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.000 -19.009 -24.899 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.588 -17.374 -25.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.300 -19.077 -25.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.680 -17.970 -24.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.120 -19.523 -23.778 1.00 0.00 H new ATOM 398 N GLU A 26 4.525 -15.462 -20.752 1.00 0.00 N ATOM 399 CA GLU A 26 5.882 -15.775 -20.336 1.00 0.00 C ATOM 400 C GLU A 26 6.320 -14.802 -19.243 1.00 0.00 C ATOM 401 O GLU A 26 6.767 -15.221 -18.174 1.00 0.00 O ATOM 402 CB GLU A 26 6.822 -15.740 -21.545 1.00 0.00 C ATOM 403 CG GLU A 26 6.413 -16.805 -22.571 1.00 0.00 C ATOM 404 CD GLU A 26 7.360 -16.817 -23.765 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.465 -17.380 -23.608 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.960 -16.262 -24.811 1.00 0.00 O ATOM 0 H GLU A 26 4.441 -15.163 -21.724 1.00 0.00 H new ATOM 0 HA GLU A 26 5.920 -16.782 -19.922 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.795 -14.753 -22.006 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.848 -15.913 -21.221 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.409 -17.787 -22.097 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.396 -16.612 -22.913 1.00 0.00 H new ATOM 413 N GLU A 27 6.174 -13.499 -19.500 1.00 0.00 N ATOM 414 CA GLU A 27 6.582 -12.495 -18.532 1.00 0.00 C ATOM 415 C GLU A 27 5.759 -12.634 -17.242 1.00 0.00 C ATOM 416 O GLU A 27 6.307 -12.528 -16.145 1.00 0.00 O ATOM 417 CB GLU A 27 6.497 -11.090 -19.153 1.00 0.00 C ATOM 418 CG GLU A 27 7.568 -10.148 -18.579 1.00 0.00 C ATOM 419 CD GLU A 27 8.984 -10.481 -19.048 1.00 0.00 C ATOM 420 OE1 GLU A 27 9.109 -11.132 -20.106 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.923 -10.081 -18.327 1.00 0.00 O ATOM 0 H GLU A 27 5.780 -13.124 -20.363 1.00 0.00 H new ATOM 0 HA GLU A 27 7.625 -12.653 -18.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.618 -11.162 -20.234 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.508 -10.671 -18.970 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.330 -9.123 -18.864 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.534 -10.192 -17.490 1.00 0.00 H new ATOM 428 N LEU A 28 4.451 -12.900 -17.366 1.00 0.00 N ATOM 429 CA LEU A 28 3.572 -13.103 -16.230 1.00 0.00 C ATOM 430 C LEU A 28 4.056 -14.303 -15.420 1.00 0.00 C ATOM 431 O LEU A 28 4.219 -14.207 -14.209 1.00 0.00 O ATOM 432 CB LEU A 28 2.105 -13.254 -16.658 1.00 0.00 C ATOM 433 CG LEU A 28 1.182 -13.095 -15.434 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.829 -11.628 -15.171 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.105 -13.907 -15.569 1.00 0.00 C ATOM 0 H LEU A 28 3.980 -12.979 -18.268 1.00 0.00 H new ATOM 0 HA LEU A 28 3.611 -12.216 -15.597 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.858 -12.505 -17.410 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.950 -14.230 -17.117 1.00 0.00 H new ATOM 0 HG LEU A 28 1.748 -13.481 -14.586 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.177 -11.561 -14.300 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.742 -11.062 -14.985 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.317 -11.216 -16.040 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.722 -13.762 -14.682 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.654 -13.575 -16.451 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.141 -14.964 -15.671 1.00 0.00 H new ATOM 447 N LYS A 29 4.311 -15.438 -16.072 1.00 0.00 N ATOM 448 CA LYS A 29 4.859 -16.586 -15.372 1.00 0.00 C ATOM 449 C LYS A 29 6.137 -16.183 -14.624 1.00 0.00 C ATOM 450 O LYS A 29 6.285 -16.455 -13.430 1.00 0.00 O ATOM 451 CB LYS A 29 5.108 -17.720 -16.379 1.00 0.00 C ATOM 452 CG LYS A 29 5.381 -19.044 -15.666 1.00 0.00 C ATOM 453 CD LYS A 29 5.861 -20.118 -16.648 1.00 0.00 C ATOM 454 CE LYS A 29 6.173 -21.415 -15.894 1.00 0.00 C ATOM 455 NZ LYS A 29 6.632 -22.473 -16.809 1.00 0.00 N ATOM 0 H LYS A 29 4.148 -15.581 -17.069 1.00 0.00 H new ATOM 0 HA LYS A 29 4.151 -16.948 -14.627 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.241 -17.827 -17.031 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.956 -17.465 -17.015 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.134 -18.894 -14.892 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.474 -19.384 -15.167 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.096 -20.301 -17.402 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.750 -19.770 -17.174 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.939 -21.225 -15.142 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.282 -21.752 -15.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.835 -23.337 -16.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.891 -22.671 -17.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.496 -22.160 -17.296 1.00 0.00 H new ATOM 469 N LEU A 30 7.069 -15.538 -15.327 1.00 0.00 N ATOM 470 CA LEU A 30 8.336 -15.092 -14.761 1.00 0.00 C ATOM 471 C LEU A 30 8.128 -14.284 -13.470 1.00 0.00 C ATOM 472 O LEU A 30 8.593 -14.696 -12.402 1.00 0.00 O ATOM 473 CB LEU A 30 9.144 -14.332 -15.822 1.00 0.00 C ATOM 474 CG LEU A 30 10.576 -13.997 -15.377 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.438 -15.251 -15.183 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.230 -13.105 -16.440 1.00 0.00 C ATOM 0 H LEU A 30 6.961 -15.310 -16.315 1.00 0.00 H new ATOM 0 HA LEU A 30 8.920 -15.965 -14.468 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.185 -14.929 -16.733 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.623 -13.407 -16.071 1.00 0.00 H new ATOM 0 HG LEU A 30 10.513 -13.487 -14.416 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.440 -14.959 -14.869 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.989 -15.887 -14.420 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.498 -15.800 -16.123 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.247 -12.861 -16.134 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.254 -13.633 -17.393 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.654 -12.186 -16.549 1.00 0.00 H new ATOM 488 N LEU A 31 7.441 -13.138 -13.535 1.00 0.00 N ATOM 489 CA LEU A 31 7.306 -12.315 -12.335 1.00 0.00 C ATOM 490 C LEU A 31 6.387 -12.938 -11.289 1.00 0.00 C ATOM 491 O LEU A 31 6.621 -12.724 -10.107 1.00 0.00 O ATOM 492 CB LEU A 31 7.019 -10.830 -12.601 1.00 0.00 C ATOM 493 CG LEU A 31 5.559 -10.375 -12.644 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.472 -8.851 -12.770 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.902 -10.992 -13.859 1.00 0.00 C ATOM 0 H LEU A 31 6.987 -12.772 -14.372 1.00 0.00 H new ATOM 0 HA LEU A 31 8.303 -12.308 -11.894 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.527 -10.249 -11.831 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.478 -10.567 -13.554 1.00 0.00 H new ATOM 0 HG LEU A 31 5.062 -10.686 -11.725 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.426 -8.547 -12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.961 -8.387 -11.914 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.968 -8.533 -13.687 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.859 -10.679 -13.907 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.421 -10.664 -14.759 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.952 -12.078 -13.787 1.00 0.00 H new ATOM 507 N LEU A 32 5.366 -13.717 -11.663 1.00 0.00 N ATOM 508 CA LEU A 32 4.553 -14.372 -10.644 1.00 0.00 C ATOM 509 C LEU A 32 5.408 -15.366 -9.868 1.00 0.00 C ATOM 510 O LEU A 32 5.344 -15.382 -8.643 1.00 0.00 O ATOM 511 CB LEU A 32 3.287 -15.002 -11.235 1.00 0.00 C ATOM 512 CG LEU A 32 2.115 -14.010 -11.290 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.483 -12.608 -11.784 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.008 -14.589 -12.168 1.00 0.00 C ATOM 0 H LEU A 32 5.093 -13.903 -12.628 1.00 0.00 H new ATOM 0 HA LEU A 32 4.195 -13.620 -9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.500 -15.366 -12.240 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.001 -15.867 -10.637 1.00 0.00 H new ATOM 0 HG LEU A 32 1.783 -13.879 -10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.593 -11.979 -11.789 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.231 -12.173 -11.121 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.887 -12.673 -12.794 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.174 -13.889 -12.210 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.392 -14.757 -13.174 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.667 -15.535 -11.747 1.00 0.00 H new ATOM 526 N GLN A 33 6.255 -16.150 -10.540 1.00 0.00 N ATOM 527 CA GLN A 33 7.207 -16.985 -9.818 1.00 0.00 C ATOM 528 C GLN A 33 8.110 -16.133 -8.925 1.00 0.00 C ATOM 529 O GLN A 33 8.274 -16.447 -7.748 1.00 0.00 O ATOM 530 CB GLN A 33 8.060 -17.801 -10.788 1.00 0.00 C ATOM 531 CG GLN A 33 7.250 -18.875 -11.524 1.00 0.00 C ATOM 532 CD GLN A 33 8.013 -19.354 -12.751 1.00 0.00 C ATOM 533 OE1 GLN A 33 8.376 -20.520 -12.866 1.00 0.00 O ATOM 534 NE2 GLN A 33 8.256 -18.439 -13.681 1.00 0.00 N ATOM 0 H GLN A 33 6.299 -16.222 -11.557 1.00 0.00 H new ATOM 0 HA GLN A 33 6.637 -17.670 -9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.516 -17.131 -11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.873 -18.276 -10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.054 -19.715 -10.857 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.282 -18.472 -11.822 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.937 -17.479 -13.548 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.761 -18.695 -14.529 1.00 0.00 H new ATOM 543 N THR A 34 8.716 -15.079 -9.485 1.00 0.00 N ATOM 544 CA THR A 34 9.694 -14.289 -8.742 1.00 0.00 C ATOM 545 C THR A 34 9.050 -13.656 -7.499 1.00 0.00 C ATOM 546 O THR A 34 9.535 -13.819 -6.381 1.00 0.00 O ATOM 547 CB THR A 34 10.352 -13.209 -9.624 1.00 0.00 C ATOM 548 OG1 THR A 34 10.709 -13.677 -10.917 1.00 0.00 O ATOM 549 CG2 THR A 34 11.631 -12.714 -8.937 1.00 0.00 C ATOM 0 H THR A 34 8.547 -14.759 -10.439 1.00 0.00 H new ATOM 0 HA THR A 34 10.482 -14.969 -8.419 1.00 0.00 H new ATOM 0 HB THR A 34 9.614 -12.416 -9.747 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.898 -13.901 -11.419 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.103 -11.950 -9.554 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.381 -12.291 -7.964 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.319 -13.549 -8.804 1.00 0.00 H new ATOM 557 N GLU A 35 7.976 -12.894 -7.712 1.00 0.00 N ATOM 558 CA GLU A 35 7.349 -12.042 -6.721 1.00 0.00 C ATOM 559 C GLU A 35 6.312 -12.795 -5.890 1.00 0.00 C ATOM 560 O GLU A 35 6.206 -12.543 -4.691 1.00 0.00 O ATOM 561 CB GLU A 35 6.697 -10.843 -7.428 1.00 0.00 C ATOM 562 CG GLU A 35 7.647 -10.089 -8.366 1.00 0.00 C ATOM 563 CD GLU A 35 8.940 -9.656 -7.683 1.00 0.00 C ATOM 564 OE1 GLU A 35 8.835 -9.043 -6.599 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.009 -9.945 -8.260 1.00 0.00 O ATOM 0 H GLU A 35 7.507 -12.858 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 35 8.120 -11.696 -6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.838 -11.193 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.318 -10.151 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.888 -10.725 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.138 -9.209 -8.759 1.00 0.00 H new ATOM 572 N PHE A 36 5.508 -13.663 -6.515 1.00 0.00 N ATOM 573 CA PHE A 36 4.343 -14.290 -5.891 1.00 0.00 C ATOM 574 C PHE A 36 4.474 -15.821 -5.892 1.00 0.00 C ATOM 575 O PHE A 36 3.586 -16.503 -6.416 1.00 0.00 O ATOM 576 CB PHE A 36 3.068 -13.881 -6.654 1.00 0.00 C ATOM 577 CG PHE A 36 2.806 -12.404 -6.906 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.394 -11.394 -6.122 1.00 0.00 C ATOM 579 CD2 PHE A 36 1.956 -12.040 -7.967 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.330 -10.054 -6.544 1.00 0.00 C ATOM 581 CE2 PHE A 36 1.869 -10.700 -8.377 1.00 0.00 C ATOM 582 CZ PHE A 36 2.600 -9.715 -7.696 1.00 0.00 C ATOM 0 H PHE A 36 5.653 -13.952 -7.482 1.00 0.00 H new ATOM 0 HA PHE A 36 4.282 -13.951 -4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.088 -14.382 -7.622 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.214 -14.279 -6.106 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.893 -11.647 -5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.368 -12.795 -8.468 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.842 -9.286 -5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.242 -10.429 -9.213 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.602 -8.697 -8.057 1.00 0.00 H new ATOM 726 N LEU A 46 -0.952 -21.700 -14.839 1.00 0.00 N ATOM 727 CA LEU A 46 -0.778 -20.457 -15.580 1.00 0.00 C ATOM 728 C LEU A 46 -1.903 -20.317 -16.595 1.00 0.00 C ATOM 729 O LEU A 46 -2.418 -19.224 -16.766 1.00 0.00 O ATOM 730 CB LEU A 46 0.577 -20.398 -16.301 1.00 0.00 C ATOM 731 CG LEU A 46 0.838 -19.045 -17.000 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.235 -17.961 -15.990 1.00 0.00 C ATOM 733 CD2 LEU A 46 1.957 -19.234 -18.026 1.00 0.00 C ATOM 0 HA LEU A 46 -0.805 -19.635 -14.865 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.373 -20.586 -15.580 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.622 -21.196 -17.042 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.079 -18.719 -17.491 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.411 -17.022 -16.515 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.432 -17.827 -15.266 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.145 -18.263 -15.471 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.153 -18.287 -18.529 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.862 -19.571 -17.520 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.654 -19.979 -18.762 1.00 0.00 H new ATOM 745 N ASP A 47 -2.304 -21.403 -17.261 1.00 0.00 N ATOM 746 CA ASP A 47 -3.389 -21.332 -18.226 1.00 0.00 C ATOM 747 C ASP A 47 -4.640 -20.733 -17.582 1.00 0.00 C ATOM 748 O ASP A 47 -5.196 -19.757 -18.082 1.00 0.00 O ATOM 749 CB ASP A 47 -3.669 -22.729 -18.788 1.00 0.00 C ATOM 750 CG ASP A 47 -4.842 -22.700 -19.761 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.599 -22.332 -20.930 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.958 -23.041 -19.314 1.00 0.00 O ATOM 0 H ASP A 47 -1.895 -22.330 -17.147 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.097 -20.680 -19.049 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.781 -23.106 -19.295 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.886 -23.417 -17.971 1.00 0.00 H new ATOM 757 N GLU A 48 -5.057 -21.307 -16.453 1.00 0.00 N ATOM 758 CA GLU A 48 -6.254 -20.882 -15.748 1.00 0.00 C ATOM 759 C GLU A 48 -6.092 -19.436 -15.281 1.00 0.00 C ATOM 760 O GLU A 48 -6.874 -18.564 -15.653 1.00 0.00 O ATOM 761 CB GLU A 48 -6.512 -21.823 -14.566 1.00 0.00 C ATOM 762 CG GLU A 48 -6.765 -23.263 -15.034 1.00 0.00 C ATOM 763 CD GLU A 48 -6.907 -24.210 -13.849 1.00 0.00 C ATOM 764 OE1 GLU A 48 -8.003 -24.211 -13.247 1.00 0.00 O ATOM 765 OE2 GLU A 48 -5.911 -24.907 -13.558 1.00 0.00 O ATOM 0 H GLU A 48 -4.568 -22.082 -16.005 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.114 -20.927 -16.416 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.656 -21.804 -13.892 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.372 -21.468 -13.999 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.670 -23.297 -15.641 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.942 -23.592 -15.669 1.00 0.00 H new ATOM 772 N LEU A 49 -5.055 -19.182 -14.479 1.00 0.00 N ATOM 773 CA LEU A 49 -4.803 -17.862 -13.920 1.00 0.00 C ATOM 774 C LEU A 49 -4.764 -16.826 -15.042 1.00 0.00 C ATOM 775 O LEU A 49 -5.492 -15.839 -14.993 1.00 0.00 O ATOM 776 CB LEU A 49 -3.503 -17.864 -13.101 1.00 0.00 C ATOM 777 CG LEU A 49 -3.720 -18.247 -11.626 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.408 -19.604 -11.433 1.00 0.00 C ATOM 779 CD2 LEU A 49 -2.363 -18.270 -10.913 1.00 0.00 C ATOM 0 H LEU A 49 -4.371 -19.887 -14.203 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.613 -17.595 -13.241 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.798 -18.562 -13.552 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.048 -16.875 -13.150 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.386 -17.496 -11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.526 -19.804 -10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.388 -19.586 -11.910 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.800 -20.388 -11.884 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.506 -18.540 -9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.713 -19.003 -11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.904 -17.283 -10.973 1.00 0.00 H new ATOM 791 N PHE A 50 -3.947 -17.061 -16.071 1.00 0.00 N ATOM 792 CA PHE A 50 -3.828 -16.157 -17.200 1.00 0.00 C ATOM 793 C PHE A 50 -5.187 -15.944 -17.865 1.00 0.00 C ATOM 794 O PHE A 50 -5.557 -14.807 -18.142 1.00 0.00 O ATOM 795 CB PHE A 50 -2.779 -16.673 -18.192 1.00 0.00 C ATOM 796 CG PHE A 50 -2.200 -15.588 -19.069 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.913 -15.100 -20.179 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.011 -14.953 -18.670 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.412 -14.005 -20.901 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.593 -13.781 -19.312 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.225 -13.375 -20.489 1.00 0.00 C ATOM 0 H PHE A 50 -3.352 -17.887 -16.138 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.488 -15.186 -16.840 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.971 -17.153 -17.639 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.231 -17.438 -18.823 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.842 -15.566 -20.475 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.420 -15.369 -17.868 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.939 -13.647 -21.773 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.214 -13.194 -18.899 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.802 -12.578 -21.082 1.00 0.00 H new ATOM 811 N GLU A 51 -5.947 -17.019 -18.102 1.00 0.00 N ATOM 812 CA GLU A 51 -7.269 -16.919 -18.707 1.00 0.00 C ATOM 813 C GLU A 51 -8.197 -16.027 -17.875 1.00 0.00 C ATOM 814 O GLU A 51 -8.952 -15.230 -18.425 1.00 0.00 O ATOM 815 CB GLU A 51 -7.852 -18.325 -18.915 1.00 0.00 C ATOM 816 CG GLU A 51 -9.190 -18.303 -19.662 1.00 0.00 C ATOM 817 CD GLU A 51 -9.712 -19.718 -19.890 1.00 0.00 C ATOM 818 OE1 GLU A 51 -10.184 -20.315 -18.898 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.623 -20.180 -21.049 1.00 0.00 O ATOM 0 H GLU A 51 -5.661 -17.973 -17.880 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.177 -16.442 -19.683 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.138 -18.931 -19.473 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.989 -18.805 -17.946 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.920 -17.730 -19.091 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.067 -17.798 -20.620 1.00 0.00 H new ATOM 826 N GLU A 52 -8.148 -16.167 -16.550 1.00 0.00 N ATOM 827 CA GLU A 52 -9.000 -15.399 -15.650 1.00 0.00 C ATOM 828 C GLU A 52 -8.565 -13.931 -15.652 1.00 0.00 C ATOM 829 O GLU A 52 -9.387 -13.017 -15.667 1.00 0.00 O ATOM 830 CB GLU A 52 -8.912 -15.992 -14.236 1.00 0.00 C ATOM 831 CG GLU A 52 -9.550 -17.386 -14.157 1.00 0.00 C ATOM 832 CD GLU A 52 -9.196 -18.076 -12.844 1.00 0.00 C ATOM 833 OE1 GLU A 52 -9.879 -17.770 -11.842 1.00 0.00 O ATOM 834 OE2 GLU A 52 -8.240 -18.882 -12.857 1.00 0.00 O ATOM 0 H GLU A 52 -7.519 -16.814 -16.075 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.035 -15.450 -15.988 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.867 -16.054 -13.933 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.409 -15.325 -13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.633 -17.300 -14.246 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.209 -17.994 -14.995 1.00 0.00 H new ATOM 841 N LEU A 53 -7.253 -13.724 -15.588 1.00 0.00 N ATOM 842 CA LEU A 53 -6.616 -12.431 -15.427 1.00 0.00 C ATOM 843 C LEU A 53 -6.762 -11.590 -16.697 1.00 0.00 C ATOM 844 O LEU A 53 -7.173 -10.430 -16.641 1.00 0.00 O ATOM 845 CB LEU A 53 -5.147 -12.715 -15.097 1.00 0.00 C ATOM 846 CG LEU A 53 -4.363 -11.578 -14.444 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.935 -12.101 -14.265 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.362 -10.271 -15.228 1.00 0.00 C ATOM 0 H LEU A 53 -6.581 -14.488 -15.650 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.082 -11.852 -14.630 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.107 -13.581 -14.436 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.638 -12.995 -16.019 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.843 -11.317 -13.501 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.321 -11.330 -13.800 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.949 -12.986 -13.629 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.518 -12.360 -15.238 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.781 -9.523 -14.688 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.918 -10.436 -16.210 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.386 -9.918 -15.348 1.00 0.00 H new ATOM 860 N ASP A 54 -6.383 -12.156 -17.844 1.00 0.00 N ATOM 861 CA ASP A 54 -6.303 -11.451 -19.112 1.00 0.00 C ATOM 862 C ASP A 54 -7.707 -11.244 -19.675 1.00 0.00 C ATOM 863 O ASP A 54 -8.111 -11.878 -20.647 1.00 0.00 O ATOM 864 CB ASP A 54 -5.421 -12.225 -20.100 1.00 0.00 C ATOM 865 CG ASP A 54 -5.384 -11.605 -21.501 1.00 0.00 C ATOM 866 OD1 ASP A 54 -5.774 -10.424 -21.629 1.00 0.00 O ATOM 867 OD2 ASP A 54 -4.996 -12.333 -22.443 1.00 0.00 O ATOM 0 H ASP A 54 -6.119 -13.139 -17.912 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.846 -10.474 -18.952 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.406 -12.275 -19.706 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.785 -13.250 -20.174 1.00 0.00 H new ATOM 872 N LYS A 55 -8.433 -10.310 -19.076 1.00 0.00 N ATOM 873 CA LYS A 55 -9.749 -9.878 -19.526 1.00 0.00 C ATOM 874 C LYS A 55 -9.737 -9.459 -21.002 1.00 0.00 C ATOM 875 O LYS A 55 -10.722 -9.668 -21.707 1.00 0.00 O ATOM 876 CB LYS A 55 -10.259 -8.748 -18.624 1.00 0.00 C ATOM 877 CG LYS A 55 -10.540 -9.267 -17.207 1.00 0.00 C ATOM 878 CD LYS A 55 -11.071 -8.139 -16.316 1.00 0.00 C ATOM 879 CE LYS A 55 -11.406 -8.694 -14.928 1.00 0.00 C ATOM 880 NZ LYS A 55 -11.871 -7.631 -14.020 1.00 0.00 N ATOM 0 H LYS A 55 -8.114 -9.819 -18.241 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.434 -10.722 -19.449 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.520 -7.948 -18.583 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.168 -8.321 -19.047 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.267 -10.078 -17.248 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.627 -9.679 -16.777 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.326 -7.347 -16.232 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.959 -7.695 -16.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.176 -9.460 -15.017 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.524 -9.176 -14.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.089 -8.040 -13.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.126 -6.913 -13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.726 -7.189 -14.413 1.00 0.00 H new ATOM 923 N GLY A 59 -3.579 -12.676 -24.871 1.00 0.00 N ATOM 924 CA GLY A 59 -2.356 -13.399 -24.544 1.00 0.00 C ATOM 925 C GLY A 59 -1.369 -12.528 -23.759 1.00 0.00 C ATOM 926 O GLY A 59 -0.223 -12.933 -23.552 1.00 0.00 O ATOM 0 HA2 GLY A 59 -2.603 -14.285 -23.959 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.883 -13.746 -25.463 1.00 0.00 H new ATOM 930 N GLU A 60 -1.815 -11.354 -23.298 1.00 0.00 N ATOM 931 CA GLU A 60 -1.001 -10.363 -22.611 1.00 0.00 C ATOM 932 C GLU A 60 -1.752 -9.861 -21.374 1.00 0.00 C ATOM 933 O GLU A 60 -2.926 -10.165 -21.195 1.00 0.00 O ATOM 934 CB GLU A 60 -0.686 -9.214 -23.574 1.00 0.00 C ATOM 935 CG GLU A 60 -0.005 -9.637 -24.888 1.00 0.00 C ATOM 936 CD GLU A 60 1.428 -10.126 -24.687 1.00 0.00 C ATOM 937 OE1 GLU A 60 2.222 -9.349 -24.113 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.716 -11.263 -25.118 1.00 0.00 O ATOM 0 H GLU A 60 -2.788 -11.064 -23.400 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.060 -10.805 -22.284 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.614 -8.695 -23.814 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.043 -8.497 -23.063 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.591 -10.428 -25.356 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.002 -8.793 -25.577 1.00 0.00 H new ATOM 945 N VAL A 61 -1.067 -9.120 -20.502 1.00 0.00 N ATOM 946 CA VAL A 61 -1.610 -8.559 -19.274 1.00 0.00 C ATOM 947 C VAL A 61 -1.047 -7.149 -19.125 1.00 0.00 C ATOM 948 O VAL A 61 0.141 -6.992 -18.851 1.00 0.00 O ATOM 949 CB VAL A 61 -1.229 -9.446 -18.073 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.599 -8.791 -16.737 1.00 0.00 C ATOM 951 CG2 VAL A 61 -1.962 -10.787 -18.165 1.00 0.00 C ATOM 0 H VAL A 61 -0.083 -8.888 -20.641 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.699 -8.518 -19.311 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.149 -9.588 -18.109 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.313 -9.450 -15.917 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.073 -7.841 -16.639 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.674 -8.615 -16.703 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.689 -11.410 -17.313 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.038 -10.615 -18.158 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.681 -11.292 -19.089 1.00 0.00 H new ATOM 961 N SER A 62 -1.886 -6.127 -19.299 1.00 0.00 N ATOM 962 CA SER A 62 -1.530 -4.749 -18.981 1.00 0.00 C ATOM 963 C SER A 62 -1.673 -4.476 -17.489 1.00 0.00 C ATOM 964 O SER A 62 -2.343 -5.231 -16.784 1.00 0.00 O ATOM 965 CB SER A 62 -2.302 -3.787 -19.886 1.00 0.00 C ATOM 966 OG SER A 62 -1.793 -3.935 -21.200 1.00 0.00 O ATOM 0 H SER A 62 -2.832 -6.234 -19.665 1.00 0.00 H new ATOM 0 HA SER A 62 -0.475 -4.578 -19.194 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.369 -4.010 -19.861 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.183 -2.759 -19.543 1.00 0.00 H new ATOM 0 HG SER A 62 -2.498 -3.731 -21.849 1.00 0.00 H new ATOM 972 N PHE A 63 -1.028 -3.412 -16.995 1.00 0.00 N ATOM 973 CA PHE A 63 -0.960 -3.114 -15.566 1.00 0.00 C ATOM 974 C PHE A 63 -2.354 -3.122 -14.945 1.00 0.00 C ATOM 975 O PHE A 63 -2.561 -3.622 -13.842 1.00 0.00 O ATOM 976 CB PHE A 63 -0.278 -1.758 -15.344 1.00 0.00 C ATOM 977 CG PHE A 63 -0.302 -1.296 -13.900 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.301 -2.084 -12.903 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.062 -0.168 -13.535 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.146 -1.746 -11.547 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.183 0.192 -12.182 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.570 -0.590 -11.189 1.00 0.00 C ATOM 0 H PHE A 63 -0.539 -2.734 -17.579 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.369 -3.888 -15.077 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.757 -1.822 -15.679 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.768 -1.008 -15.965 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.884 -2.950 -13.180 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.552 0.421 -14.296 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.577 -2.374 -10.781 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.748 1.070 -11.906 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.649 -0.303 -10.151 1.00 0.00 H new ATOM 992 N GLU A 64 -3.324 -2.595 -15.689 1.00 0.00 N ATOM 993 CA GLU A 64 -4.705 -2.519 -15.240 1.00 0.00 C ATOM 994 C GLU A 64 -5.291 -3.917 -15.024 1.00 0.00 C ATOM 995 O GLU A 64 -6.035 -4.137 -14.071 1.00 0.00 O ATOM 996 CB GLU A 64 -5.525 -1.715 -16.254 1.00 0.00 C ATOM 997 CG GLU A 64 -5.008 -0.275 -16.380 1.00 0.00 C ATOM 998 CD GLU A 64 -5.720 0.471 -17.504 1.00 0.00 C ATOM 999 OE1 GLU A 64 -6.876 0.883 -17.271 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -5.093 0.600 -18.578 1.00 0.00 O ATOM 0 H GLU A 64 -3.170 -2.209 -16.621 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.742 -2.008 -14.278 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.483 -2.204 -17.227 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.571 -1.702 -15.949 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.159 0.252 -15.438 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.935 -0.287 -16.571 1.00 0.00 H new ATOM 1007 N GLU A 65 -4.944 -4.869 -15.893 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.361 -6.250 -15.722 1.00 0.00 C ATOM 1009 C GLU A 65 -4.589 -6.848 -14.543 1.00 0.00 C ATOM 1010 O GLU A 65 -5.175 -7.481 -13.671 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.134 -7.027 -17.023 1.00 0.00 C ATOM 1012 CG GLU A 65 -5.986 -6.473 -18.171 1.00 0.00 C ATOM 1013 CD GLU A 65 -5.644 -7.167 -19.481 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.558 -6.845 -20.013 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.464 -8.008 -19.912 1.00 0.00 O ATOM 0 H GLU A 65 -4.374 -4.702 -16.722 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.426 -6.310 -15.499 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.080 -6.979 -17.296 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.375 -8.078 -16.866 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.043 -6.613 -17.945 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.820 -5.400 -18.268 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.276 -6.609 -14.488 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.430 -7.076 -13.393 1.00 0.00 C ATOM 1024 C PHE A 66 -3.005 -6.656 -12.040 1.00 0.00 C ATOM 1025 O PHE A 66 -3.015 -7.434 -11.091 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.002 -6.557 -13.558 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.002 -7.233 -12.645 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.609 -8.437 -13.044 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.377 -6.627 -11.433 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.649 -8.984 -12.275 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.415 -7.180 -10.664 1.00 0.00 C ATOM 1032 CZ PHE A 66 2.070 -8.344 -11.098 1.00 0.00 C ATOM 0 H PHE A 66 -2.772 -6.085 -15.204 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.406 -8.165 -13.425 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.690 -6.699 -14.593 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.990 -5.484 -13.365 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.278 -8.940 -13.941 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.130 -5.736 -11.093 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.127 -9.900 -12.590 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.710 -6.709 -9.738 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.895 -8.746 -10.528 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.520 -5.429 -11.952 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.141 -4.917 -10.743 1.00 0.00 C ATOM 1044 C GLN A 67 -5.279 -5.827 -10.254 1.00 0.00 C ATOM 1045 O GLN A 67 -5.501 -5.930 -9.051 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.623 -3.478 -10.987 1.00 0.00 C ATOM 1047 CG GLN A 67 -4.878 -2.699 -9.686 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.640 -2.571 -8.798 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -3.727 -2.695 -7.582 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -2.473 -2.329 -9.386 1.00 0.00 N ATOM 0 H GLN A 67 -3.515 -4.764 -12.725 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.398 -4.907 -9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.879 -2.948 -11.581 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.541 -3.503 -11.574 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.242 -1.702 -9.934 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.669 -3.196 -9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.424 -2.229 -10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.627 -2.243 -8.823 1.00 0.00 H new ATOM 1059 N VAL A 68 -5.984 -6.521 -11.154 1.00 0.00 N ATOM 1060 CA VAL A 68 -6.967 -7.522 -10.748 1.00 0.00 C ATOM 1061 C VAL A 68 -6.270 -8.641 -9.965 1.00 0.00 C ATOM 1062 O VAL A 68 -6.780 -9.102 -8.945 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.748 -8.069 -11.958 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.871 -9.007 -11.495 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.372 -6.932 -12.781 1.00 0.00 C ATOM 0 H VAL A 68 -5.890 -6.406 -12.163 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.701 -7.050 -10.095 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.037 -8.614 -12.579 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.412 -9.384 -12.363 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.442 -9.844 -10.944 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.558 -8.461 -10.849 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.916 -7.352 -13.627 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.059 -6.364 -12.154 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.585 -6.273 -13.147 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.083 -9.062 -10.414 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.260 -9.994 -9.658 1.00 0.00 C ATOM 1077 C LEU A 69 -3.905 -9.349 -8.314 1.00 0.00 C ATOM 1078 O LEU A 69 -4.077 -9.964 -7.265 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.003 -10.392 -10.453 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.560 -11.845 -10.207 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.222 -12.095 -10.904 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -2.349 -12.193 -8.734 1.00 0.00 C ATOM 0 H LEU A 69 -4.675 -8.767 -11.301 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.814 -10.915 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.196 -10.254 -11.517 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.186 -9.721 -10.187 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.370 -12.463 -10.596 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.908 -13.124 -10.730 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.332 -11.925 -11.975 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.471 -11.414 -10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.038 -13.234 -8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.577 -11.548 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.281 -12.046 -8.188 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.439 -8.096 -8.326 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.083 -7.389 -7.096 1.00 0.00 C ATOM 1096 C VAL A 70 -4.235 -7.410 -6.082 1.00 0.00 C ATOM 1097 O VAL A 70 -4.015 -7.674 -4.902 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.577 -5.963 -7.367 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.227 -5.254 -6.053 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.336 -5.987 -8.270 1.00 0.00 C ATOM 0 H VAL A 70 -3.300 -7.551 -9.177 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.249 -7.929 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.377 -5.419 -7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.871 -4.246 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.114 -5.199 -5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.447 -5.812 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.996 -4.967 -8.448 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.543 -6.554 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.587 -6.457 -9.221 1.00 0.00 H new