USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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 60 TYR OH : rot 180:sc= -2.71! USER MOD Set 1.2: A 70 SER OG : rot -30:sc= 0.212 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.0887 (180deg=-0.757) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0247 (180deg=-0.369) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 171:sc= -1.82 (180deg=-1.97) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -157:sc= -0.108 (180deg=-0.786) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0162 (180deg=-0.263) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 39 MET CE :methyl 138:sc= -2.45! (180deg=-3.36!) USER MOD Single : A 40 THR OG1 : rot 100:sc= -1.09 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 174:sc= 0.0337 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.46! C(o=-1.5!,f=-7.1!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 74 GLN : amide:sc= -2.83! C(o=-2.8!,f=-2.1!) USER MOD Single : A 77 THR OG1 : rot 5:sc= 0.942 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.477 0.198 -11.620 1.00 0.00 N ATOM 2 CA MET A 1 71.471 -0.149 -10.577 1.00 0.00 C ATOM 3 C MET A 1 71.645 -1.605 -10.163 1.00 0.00 C ATOM 4 O MET A 1 71.923 -2.469 -10.995 1.00 0.00 O ATOM 5 CB MET A 1 70.065 0.066 -11.139 1.00 0.00 C ATOM 6 CG MET A 1 69.844 1.556 -11.413 1.00 0.00 C ATOM 7 SD MET A 1 68.146 1.823 -11.987 1.00 0.00 S ATOM 8 CE MET A 1 68.307 1.041 -13.614 1.00 0.00 C ATOM 0 H1 MET A 1 72.569 1.232 -11.683 1.00 0.00 H new ATOM 0 H2 MET A 1 73.397 -0.216 -11.367 1.00 0.00 H new ATOM 0 H3 MET A 1 72.169 -0.179 -12.539 1.00 0.00 H new ATOM 0 HA MET A 1 71.614 0.489 -9.705 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.938 -0.506 -12.058 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.320 -0.299 -10.432 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.028 2.134 -10.507 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.552 1.907 -12.164 1.00 0.00 H new ATOM 0 HE1 MET A 1 67.553 1.447 -14.289 1.00 0.00 H new ATOM 0 HE2 MET A 1 69.300 1.240 -14.017 1.00 0.00 H new ATOM 0 HE3 MET A 1 68.165 -0.035 -13.516 1.00 0.00 H new ATOM 20 N TYR A 2 71.468 -1.869 -8.868 1.00 0.00 N ATOM 21 CA TYR A 2 71.592 -3.228 -8.328 1.00 0.00 C ATOM 22 C TYR A 2 70.244 -3.674 -7.769 1.00 0.00 C ATOM 23 O TYR A 2 69.469 -2.857 -7.274 1.00 0.00 O ATOM 24 CB TYR A 2 72.665 -3.264 -7.222 1.00 0.00 C ATOM 25 CG TYR A 2 73.287 -4.653 -7.148 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.566 -5.716 -6.581 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.579 -4.880 -7.653 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.131 -6.996 -6.524 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.139 -6.162 -7.591 1.00 0.00 C ATOM 30 CZ TYR A 2 74.416 -7.219 -7.028 1.00 0.00 C ATOM 31 OH TYR A 2 74.975 -8.478 -6.963 1.00 0.00 O ATOM 0 H TYR A 2 71.238 -1.161 -8.171 1.00 0.00 H new ATOM 0 HA TYR A 2 71.894 -3.907 -9.125 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.436 -2.521 -7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.219 -3.004 -6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.574 -5.546 -6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.140 -4.066 -8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.573 -7.813 -6.090 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.132 -6.335 -7.979 1.00 0.00 H new ATOM 0 HH TYR A 2 75.871 -8.459 -7.359 1.00 0.00 H new ATOM 41 N GLU A 3 69.963 -4.971 -7.868 1.00 0.00 N ATOM 42 CA GLU A 3 68.693 -5.518 -7.382 1.00 0.00 C ATOM 43 C GLU A 3 68.943 -6.731 -6.492 1.00 0.00 C ATOM 44 O GLU A 3 69.727 -7.613 -6.841 1.00 0.00 O ATOM 45 CB GLU A 3 67.825 -5.937 -8.576 1.00 0.00 C ATOM 46 CG GLU A 3 67.416 -4.704 -9.393 1.00 0.00 C ATOM 47 CD GLU A 3 66.582 -5.137 -10.593 1.00 0.00 C ATOM 48 OE1 GLU A 3 66.327 -6.324 -10.712 1.00 0.00 O ATOM 49 OE2 GLU A 3 66.216 -4.278 -11.378 1.00 0.00 O ATOM 0 H GLU A 3 70.592 -5.662 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 3 68.180 -4.751 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.375 -6.635 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.936 -6.460 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.845 -4.016 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 3 68.303 -4.168 -9.729 1.00 0.00 H new ATOM 56 N PHE A 4 68.264 -6.779 -5.344 1.00 0.00 N ATOM 57 CA PHE A 4 68.417 -7.904 -4.413 1.00 0.00 C ATOM 58 C PHE A 4 67.337 -8.949 -4.686 1.00 0.00 C ATOM 59 O PHE A 4 66.145 -8.669 -4.562 1.00 0.00 O ATOM 60 CB PHE A 4 68.332 -7.403 -2.952 1.00 0.00 C ATOM 61 CG PHE A 4 68.012 -8.525 -1.958 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.477 -9.840 -2.155 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.241 -8.220 -0.825 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.169 -10.835 -1.223 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.940 -9.225 0.103 1.00 0.00 C ATOM 66 CZ PHE A 4 67.403 -10.530 -0.097 1.00 0.00 C ATOM 0 H PHE A 4 67.608 -6.061 -5.037 1.00 0.00 H new ATOM 0 HA PHE A 4 69.395 -8.362 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.279 -6.938 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.566 -6.631 -2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.071 -10.079 -3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.881 -7.214 -0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 4 68.525 -11.843 -1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.348 -8.992 0.976 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.167 -11.302 0.621 1.00 0.00 H new ATOM 76 N LYS A 5 67.768 -10.153 -5.064 1.00 0.00 N ATOM 77 CA LYS A 5 66.840 -11.246 -5.366 1.00 0.00 C ATOM 78 C LYS A 5 67.187 -12.481 -4.542 1.00 0.00 C ATOM 79 O LYS A 5 68.358 -12.750 -4.273 1.00 0.00 O ATOM 80 CB LYS A 5 66.925 -11.594 -6.855 1.00 0.00 C ATOM 81 CG LYS A 5 66.412 -10.423 -7.694 1.00 0.00 C ATOM 82 CD LYS A 5 66.571 -10.762 -9.178 1.00 0.00 C ATOM 83 CE LYS A 5 66.163 -9.559 -10.028 1.00 0.00 C ATOM 84 NZ LYS A 5 64.723 -9.259 -9.802 1.00 0.00 N ATOM 0 H LYS A 5 68.753 -10.397 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 5 65.829 -10.925 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.956 -11.822 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.336 -12.487 -7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.365 -10.226 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.968 -9.517 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.605 -11.035 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.955 -11.625 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 5 66.771 -8.693 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.341 -9.768 -11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 64.481 -8.356 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.142 -10.019 -10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.538 -9.193 -8.781 1.00 0.00 H new ATOM 98 N LEU A 6 66.165 -13.234 -4.144 1.00 0.00 N ATOM 99 CA LEU A 6 66.398 -14.452 -3.348 1.00 0.00 C ATOM 100 C LEU A 6 66.770 -15.621 -4.285 1.00 0.00 C ATOM 101 O LEU A 6 65.934 -16.047 -5.083 1.00 0.00 O ATOM 102 CB LEU A 6 65.138 -14.835 -2.524 1.00 0.00 C ATOM 103 CG LEU A 6 65.553 -15.494 -1.190 1.00 0.00 C ATOM 104 CD1 LEU A 6 65.856 -14.426 -0.132 1.00 0.00 C ATOM 105 CD2 LEU A 6 64.427 -16.394 -0.673 1.00 0.00 C ATOM 0 H LEU A 6 65.186 -13.035 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 6 67.216 -14.253 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.539 -13.946 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.514 -15.520 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 6 66.448 -16.088 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 6 66.146 -14.910 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 6 66.670 -13.790 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.967 -13.818 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 6 64.731 -16.853 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.529 -15.797 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.218 -17.173 -1.406 1.00 0.00 H new ATOM 117 N PRO A 7 67.982 -16.147 -4.230 1.00 0.00 N ATOM 118 CA PRO A 7 68.394 -17.273 -5.122 1.00 0.00 C ATOM 119 C PRO A 7 67.831 -18.625 -4.676 1.00 0.00 C ATOM 120 O PRO A 7 67.613 -18.859 -3.488 1.00 0.00 O ATOM 121 CB PRO A 7 69.921 -17.244 -5.029 1.00 0.00 C ATOM 122 CG PRO A 7 70.201 -16.747 -3.648 1.00 0.00 C ATOM 123 CD PRO A 7 69.079 -15.752 -3.315 1.00 0.00 C ATOM 0 HA PRO A 7 68.015 -17.155 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.347 -18.234 -5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 7 70.352 -16.586 -5.783 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.216 -17.570 -2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.177 -16.264 -3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.776 -15.824 -2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.392 -14.722 -3.486 1.00 0.00 H new ATOM 131 N ASP A 8 67.598 -19.508 -5.643 1.00 0.00 N ATOM 132 CA ASP A 8 67.059 -20.837 -5.347 1.00 0.00 C ATOM 133 C ASP A 8 68.039 -21.649 -4.483 1.00 0.00 C ATOM 134 O ASP A 8 67.613 -22.459 -3.661 1.00 0.00 O ATOM 135 CB ASP A 8 66.769 -21.589 -6.665 1.00 0.00 C ATOM 136 CG ASP A 8 65.389 -21.221 -7.214 1.00 0.00 C ATOM 137 OD1 ASP A 8 64.685 -20.475 -6.556 1.00 0.00 O ATOM 138 OD2 ASP A 8 65.067 -21.673 -8.299 1.00 0.00 O ATOM 0 H ASP A 8 67.772 -19.332 -6.633 1.00 0.00 H new ATOM 0 HA ASP A 8 66.132 -20.716 -4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 8 67.534 -21.346 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 8 66.821 -22.664 -6.494 1.00 0.00 H new ATOM 143 N ILE A 9 69.349 -21.453 -4.665 1.00 0.00 N ATOM 144 CA ILE A 9 70.338 -22.198 -3.882 1.00 0.00 C ATOM 145 C ILE A 9 70.745 -21.414 -2.633 1.00 0.00 C ATOM 146 O ILE A 9 71.314 -20.327 -2.721 1.00 0.00 O ATOM 147 CB ILE A 9 71.576 -22.495 -4.748 1.00 0.00 C ATOM 148 CG1 ILE A 9 71.939 -21.257 -5.575 1.00 0.00 C ATOM 149 CG2 ILE A 9 71.278 -23.660 -5.699 1.00 0.00 C ATOM 150 CD1 ILE A 9 73.286 -21.477 -6.270 1.00 0.00 C ATOM 0 H ILE A 9 69.744 -20.795 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 9 69.889 -23.139 -3.563 1.00 0.00 H new ATOM 0 HB ILE A 9 72.408 -22.758 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 9 71.164 -21.063 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.990 -20.380 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 9 72.157 -23.866 -6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 9 71.023 -24.547 -5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 9 70.441 -23.397 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 9 73.541 -20.595 -6.857 1.00 0.00 H new ATOM 0 HD12 ILE A 9 74.058 -21.650 -5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 9 73.219 -22.344 -6.928 1.00 0.00 H new ATOM 162 N GLY A 10 70.451 -21.980 -1.466 1.00 0.00 N ATOM 163 CA GLY A 10 70.793 -21.328 -0.208 1.00 0.00 C ATOM 164 C GLY A 10 70.111 -19.970 -0.097 1.00 0.00 C ATOM 165 O GLY A 10 69.832 -19.322 -1.107 1.00 0.00 O ATOM 0 H GLY A 10 69.981 -22.880 -1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 10 70.492 -21.960 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 10 71.874 -21.203 -0.140 1.00 0.00 H new ATOM 169 N GLU A 11 69.853 -19.538 1.132 1.00 0.00 N ATOM 170 CA GLU A 11 69.215 -18.247 1.363 1.00 0.00 C ATOM 171 C GLU A 11 67.902 -18.134 0.592 1.00 0.00 C ATOM 172 O GLU A 11 67.268 -17.081 0.590 1.00 0.00 O ATOM 173 CB GLU A 11 70.160 -17.127 0.931 1.00 0.00 C ATOM 174 CG GLU A 11 71.381 -17.110 1.853 1.00 0.00 C ATOM 175 CD GLU A 11 72.389 -16.077 1.366 1.00 0.00 C ATOM 176 OE1 GLU A 11 72.098 -15.412 0.385 1.00 0.00 O ATOM 177 OE2 GLU A 11 73.441 -15.969 1.976 1.00 0.00 O ATOM 0 H GLU A 11 70.074 -20.060 1.980 1.00 0.00 H new ATOM 0 HA GLU A 11 68.995 -18.159 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 11 70.473 -17.278 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 11 69.646 -16.167 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 11 71.074 -16.877 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 11 71.843 -18.097 1.877 1.00 0.00 H new ATOM 184 N GLY A 12 67.497 -19.223 -0.050 1.00 0.00 N ATOM 185 CA GLY A 12 66.251 -19.227 -0.812 1.00 0.00 C ATOM 186 C GLY A 12 66.045 -20.563 -1.513 1.00 0.00 C ATOM 187 O GLY A 12 66.987 -21.332 -1.687 1.00 0.00 O ATOM 0 H GLY A 12 68.006 -20.107 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 12 65.412 -19.029 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 12 66.269 -18.424 -1.549 1.00 0.00 H new ATOM 191 N VAL A 13 64.804 -20.826 -1.927 1.00 0.00 N ATOM 192 CA VAL A 13 64.481 -22.070 -2.624 1.00 0.00 C ATOM 193 C VAL A 13 63.319 -21.855 -3.597 1.00 0.00 C ATOM 194 O VAL A 13 63.522 -21.393 -4.719 1.00 0.00 O ATOM 195 CB VAL A 13 64.126 -23.180 -1.624 1.00 0.00 C ATOM 196 CG1 VAL A 13 63.824 -24.482 -2.386 1.00 0.00 C ATOM 197 CG2 VAL A 13 65.303 -23.423 -0.669 1.00 0.00 C ATOM 0 H VAL A 13 64.012 -20.198 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 13 65.362 -22.377 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 13 63.251 -22.872 -1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 13 63.572 -25.269 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 13 62.984 -24.321 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 13 64.701 -24.779 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 13 65.042 -24.212 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 13 66.180 -23.724 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 13 65.524 -22.506 -0.123 1.00 0.00 H new ATOM 207 N THR A 14 62.103 -22.209 -3.170 1.00 0.00 N ATOM 208 CA THR A 14 60.913 -22.070 -4.018 1.00 0.00 C ATOM 209 C THR A 14 59.859 -21.173 -3.371 1.00 0.00 C ATOM 210 O THR A 14 58.739 -21.072 -3.867 1.00 0.00 O ATOM 211 CB THR A 14 60.308 -23.454 -4.279 1.00 0.00 C ATOM 212 OG1 THR A 14 60.195 -24.159 -3.052 1.00 0.00 O ATOM 213 CG2 THR A 14 61.204 -24.237 -5.245 1.00 0.00 C ATOM 0 H THR A 14 61.916 -22.593 -2.244 1.00 0.00 H new ATOM 0 HA THR A 14 61.222 -21.607 -4.955 1.00 0.00 H new ATOM 0 HB THR A 14 59.319 -23.339 -4.723 1.00 0.00 H new ATOM 0 HG1 THR A 14 59.807 -25.043 -3.217 1.00 0.00 H new ATOM 0 HG21 THR A 14 60.770 -25.220 -5.428 1.00 0.00 H new ATOM 0 HG22 THR A 14 61.284 -23.695 -6.187 1.00 0.00 H new ATOM 0 HG23 THR A 14 62.196 -24.354 -4.808 1.00 0.00 H new ATOM 221 N GLU A 15 60.208 -20.532 -2.257 1.00 0.00 N ATOM 222 CA GLU A 15 59.253 -19.660 -1.563 1.00 0.00 C ATOM 223 C GLU A 15 59.968 -18.557 -0.794 1.00 0.00 C ATOM 224 O GLU A 15 61.098 -18.729 -0.343 1.00 0.00 O ATOM 225 CB GLU A 15 58.389 -20.487 -0.602 1.00 0.00 C ATOM 226 CG GLU A 15 57.332 -19.589 0.046 1.00 0.00 C ATOM 227 CD GLU A 15 56.422 -20.423 0.940 1.00 0.00 C ATOM 228 OE1 GLU A 15 56.769 -21.563 1.202 1.00 0.00 O ATOM 229 OE2 GLU A 15 55.393 -19.911 1.352 1.00 0.00 O ATOM 0 H GLU A 15 61.127 -20.595 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 15 58.617 -19.193 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.906 -21.302 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 15 59.015 -20.940 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.816 -18.808 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.743 -19.091 -0.724 1.00 0.00 H new ATOM 236 N GLY A 16 59.297 -17.408 -0.655 1.00 0.00 N ATOM 237 CA GLY A 16 59.872 -16.268 0.059 1.00 0.00 C ATOM 238 C GLY A 16 58.865 -15.683 1.051 1.00 0.00 C ATOM 239 O GLY A 16 57.870 -15.081 0.644 1.00 0.00 O ATOM 0 H GLY A 16 58.361 -17.246 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.771 -16.582 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.174 -15.501 -0.654 1.00 0.00 H new ATOM 243 N GLU A 17 59.127 -15.852 2.356 1.00 0.00 N ATOM 244 CA GLU A 17 58.233 -15.325 3.393 1.00 0.00 C ATOM 245 C GLU A 17 58.965 -14.264 4.205 1.00 0.00 C ATOM 246 O GLU A 17 60.093 -14.475 4.652 1.00 0.00 O ATOM 247 CB GLU A 17 57.765 -16.455 4.311 1.00 0.00 C ATOM 248 CG GLU A 17 56.723 -15.919 5.293 1.00 0.00 C ATOM 249 CD GLU A 17 56.224 -17.047 6.190 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.446 -18.196 5.842 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.634 -16.748 7.216 1.00 0.00 O ATOM 0 H GLU A 17 59.944 -16.346 2.714 1.00 0.00 H new ATOM 0 HA GLU A 17 57.360 -14.878 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.339 -17.265 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.613 -16.870 4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.158 -15.125 5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.888 -15.481 4.747 1.00 0.00 H new ATOM 258 N ILE A 18 58.330 -13.109 4.359 1.00 0.00 N ATOM 259 CA ILE A 18 58.935 -11.988 5.083 1.00 0.00 C ATOM 260 C ILE A 18 58.362 -11.863 6.491 1.00 0.00 C ATOM 261 O ILE A 18 57.157 -11.674 6.660 1.00 0.00 O ATOM 262 CB ILE A 18 58.651 -10.706 4.300 1.00 0.00 C ATOM 263 CG1 ILE A 18 58.910 -10.954 2.810 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.547 -9.571 4.787 1.00 0.00 C ATOM 265 CD1 ILE A 18 60.346 -11.438 2.598 1.00 0.00 C ATOM 0 H ILE A 18 57.397 -12.920 3.994 1.00 0.00 H new ATOM 0 HA ILE A 18 60.008 -12.159 5.175 1.00 0.00 H new ATOM 0 HB ILE A 18 57.610 -10.423 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 18 58.208 -11.696 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 18 58.740 -10.037 2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.330 -8.667 4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.359 -9.388 5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.592 -9.847 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 18 60.519 -11.611 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.042 -10.682 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 18 60.502 -12.367 3.147 1.00 0.00 H new ATOM 277 N VAL A 19 59.230 -11.980 7.507 1.00 0.00 N ATOM 278 CA VAL A 19 58.781 -11.886 8.907 1.00 0.00 C ATOM 279 C VAL A 19 59.240 -10.600 9.603 1.00 0.00 C ATOM 280 O VAL A 19 58.493 -10.043 10.406 1.00 0.00 O ATOM 281 CB VAL A 19 59.291 -13.081 9.711 1.00 0.00 C ATOM 282 CG1 VAL A 19 58.611 -14.359 9.226 1.00 0.00 C ATOM 283 CG2 VAL A 19 60.807 -13.210 9.538 1.00 0.00 C ATOM 0 H VAL A 19 60.231 -12.137 7.391 1.00 0.00 H new ATOM 0 HA VAL A 19 57.692 -11.878 8.872 1.00 0.00 H new ATOM 0 HB VAL A 19 59.059 -12.928 10.765 1.00 0.00 H new ATOM 0 HG11 VAL A 19 58.978 -15.208 9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 19 57.533 -14.270 9.358 1.00 0.00 H new ATOM 0 HG13 VAL A 19 58.836 -14.513 8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 19 61.167 -14.063 10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 19 61.042 -13.357 8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 19 61.292 -12.301 9.894 1.00 0.00 H new ATOM 293 N ARG A 20 60.473 -10.143 9.339 1.00 0.00 N ATOM 294 CA ARG A 20 60.981 -8.935 10.017 1.00 0.00 C ATOM 295 C ARG A 20 61.751 -7.991 9.091 1.00 0.00 C ATOM 296 O ARG A 20 62.433 -8.417 8.158 1.00 0.00 O ATOM 297 CB ARG A 20 61.910 -9.356 11.161 1.00 0.00 C ATOM 298 CG ARG A 20 61.097 -10.035 12.268 1.00 0.00 C ATOM 299 CD ARG A 20 62.046 -10.548 13.350 1.00 0.00 C ATOM 300 NE ARG A 20 62.757 -9.435 13.969 1.00 0.00 N ATOM 301 CZ ARG A 20 62.223 -8.740 14.969 1.00 0.00 C ATOM 302 NH1 ARG A 20 61.031 -9.035 15.409 1.00 0.00 N ATOM 303 NH2 ARG A 20 62.899 -7.767 15.516 1.00 0.00 N ATOM 0 H ARG A 20 61.123 -10.574 8.681 1.00 0.00 H new ATOM 0 HA ARG A 20 60.109 -8.392 10.380 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.674 -10.038 10.788 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.428 -8.484 11.560 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.385 -9.330 12.697 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.518 -10.861 11.855 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.484 -11.095 14.107 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.760 -11.248 12.915 1.00 0.00 H new ATOM 0 HE ARG A 20 63.685 -9.184 13.627 1.00 0.00 H new ATOM 0 HH11 ARG A 20 60.506 -9.800 14.986 1.00 0.00 H new ATOM 0 HH12 ARG A 20 60.624 -8.500 16.176 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.834 -7.542 15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 20 62.492 -7.232 16.283 1.00 0.00 H new ATOM 317 N TRP A 21 61.661 -6.698 9.414 1.00 0.00 N ATOM 318 CA TRP A 21 62.369 -5.641 8.686 1.00 0.00 C ATOM 319 C TRP A 21 63.037 -4.727 9.715 1.00 0.00 C ATOM 320 O TRP A 21 62.456 -4.462 10.765 1.00 0.00 O ATOM 321 CB TRP A 21 61.397 -4.810 7.831 1.00 0.00 C ATOM 322 CG TRP A 21 61.018 -5.557 6.592 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.796 -6.079 6.353 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.826 -5.862 5.415 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.804 -6.685 5.108 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.031 -6.582 4.494 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.158 -5.590 5.060 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.533 -7.013 3.273 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.670 -6.021 3.825 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.860 -6.733 2.932 1.00 0.00 C ATOM 0 H TRP A 21 61.094 -6.354 10.189 1.00 0.00 H new ATOM 0 HA TRP A 21 63.105 -6.093 8.021 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.503 -4.577 8.410 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.860 -3.860 7.563 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.951 -6.032 7.023 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.997 -7.152 4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.793 -5.045 5.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.902 -7.562 2.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.694 -5.802 3.563 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.258 -7.064 1.984 1.00 0.00 H new ATOM 341 N ASP A 22 64.256 -4.251 9.431 1.00 0.00 N ATOM 342 CA ASP A 22 64.966 -3.378 10.384 1.00 0.00 C ATOM 343 C ASP A 22 65.465 -2.093 9.725 1.00 0.00 C ATOM 344 O ASP A 22 66.299 -1.387 10.291 1.00 0.00 O ATOM 345 CB ASP A 22 66.139 -4.137 11.013 1.00 0.00 C ATOM 346 CG ASP A 22 65.605 -5.191 11.983 1.00 0.00 C ATOM 347 OD1 ASP A 22 64.437 -5.113 12.328 1.00 0.00 O ATOM 348 OD2 ASP A 22 66.367 -6.060 12.368 1.00 0.00 O ATOM 0 H ASP A 22 64.765 -4.448 8.569 1.00 0.00 H new ATOM 0 HA ASP A 22 64.256 -3.091 11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.736 -4.613 10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.795 -3.443 11.539 1.00 0.00 H new ATOM 353 N VAL A 23 64.931 -1.772 8.547 1.00 0.00 N ATOM 354 CA VAL A 23 65.312 -0.544 7.842 1.00 0.00 C ATOM 355 C VAL A 23 64.060 0.147 7.308 1.00 0.00 C ATOM 356 O VAL A 23 63.004 -0.476 7.199 1.00 0.00 O ATOM 357 CB VAL A 23 66.282 -0.860 6.699 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.554 -1.482 7.275 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.646 -1.849 5.724 1.00 0.00 C ATOM 0 H VAL A 23 64.237 -2.340 8.061 1.00 0.00 H new ATOM 0 HA VAL A 23 65.818 0.125 8.538 1.00 0.00 H new ATOM 0 HB VAL A 23 66.519 0.064 6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.247 -1.709 6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.021 -0.781 7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.302 -2.401 7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.346 -2.065 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.402 -2.772 6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.736 -1.416 5.309 1.00 0.00 H new ATOM 369 N LYS A 24 64.168 1.441 6.996 1.00 0.00 N ATOM 370 CA LYS A 24 63.019 2.206 6.494 1.00 0.00 C ATOM 371 C LYS A 24 63.365 2.907 5.188 1.00 0.00 C ATOM 372 O LYS A 24 64.489 3.374 5.001 1.00 0.00 O ATOM 373 CB LYS A 24 62.599 3.244 7.537 1.00 0.00 C ATOM 374 CG LYS A 24 62.067 2.533 8.784 1.00 0.00 C ATOM 375 CD LYS A 24 61.645 3.574 9.821 1.00 0.00 C ATOM 376 CE LYS A 24 61.116 2.862 11.066 1.00 0.00 C ATOM 377 NZ LYS A 24 60.667 3.866 12.071 1.00 0.00 N ATOM 0 H LYS A 24 65.030 1.979 7.080 1.00 0.00 H new ATOM 0 HA LYS A 24 62.197 1.515 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.448 3.874 7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.832 3.899 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.219 1.901 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.835 1.880 9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.493 4.207 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.876 4.226 9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.287 2.208 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 24 61.895 2.230 11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 60.308 3.376 12.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 61.468 4.473 12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 59.910 4.451 11.663 1.00 0.00 H new ATOM 391 N GLU A 25 62.393 2.974 4.284 1.00 0.00 N ATOM 392 CA GLU A 25 62.608 3.619 2.996 1.00 0.00 C ATOM 393 C GLU A 25 62.960 5.091 3.170 1.00 0.00 C ATOM 394 O GLU A 25 62.397 5.782 4.020 1.00 0.00 O ATOM 395 CB GLU A 25 61.360 3.477 2.121 1.00 0.00 C ATOM 396 CG GLU A 25 60.151 4.086 2.835 1.00 0.00 C ATOM 397 CD GLU A 25 58.914 3.957 1.951 1.00 0.00 C ATOM 398 OE1 GLU A 25 59.069 3.559 0.808 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.832 4.248 2.431 1.00 0.00 O ATOM 0 H GLU A 25 61.457 2.593 4.419 1.00 0.00 H new ATOM 0 HA GLU A 25 63.447 3.125 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.517 3.975 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.174 2.425 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.985 3.580 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.340 5.135 3.061 1.00 0.00 H new ATOM 406 N GLY A 26 63.898 5.566 2.350 1.00 0.00 N ATOM 407 CA GLY A 26 64.329 6.961 2.406 1.00 0.00 C ATOM 408 C GLY A 26 65.451 7.170 3.421 1.00 0.00 C ATOM 409 O GLY A 26 65.843 8.305 3.693 1.00 0.00 O ATOM 0 H GLY A 26 64.372 5.006 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.669 7.276 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.480 7.593 2.668 1.00 0.00 H new ATOM 413 N ASP A 27 65.969 6.074 3.983 1.00 0.00 N ATOM 414 CA ASP A 27 67.052 6.156 4.974 1.00 0.00 C ATOM 415 C ASP A 27 68.305 5.438 4.474 1.00 0.00 C ATOM 416 O ASP A 27 68.221 4.463 3.726 1.00 0.00 O ATOM 417 CB ASP A 27 66.605 5.527 6.296 1.00 0.00 C ATOM 418 CG ASP A 27 65.539 6.392 6.958 1.00 0.00 C ATOM 419 OD1 ASP A 27 65.271 7.468 6.446 1.00 0.00 O ATOM 420 OD2 ASP A 27 65.011 5.970 7.973 1.00 0.00 O ATOM 0 H ASP A 27 65.660 5.125 3.772 1.00 0.00 H new ATOM 0 HA ASP A 27 67.287 7.209 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.211 4.527 6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 27 67.460 5.418 6.963 1.00 0.00 H new ATOM 425 N MET A 28 69.469 5.926 4.902 1.00 0.00 N ATOM 426 CA MET A 28 70.744 5.327 4.505 1.00 0.00 C ATOM 427 C MET A 28 71.068 4.110 5.371 1.00 0.00 C ATOM 428 O MET A 28 70.667 4.038 6.531 1.00 0.00 O ATOM 429 CB MET A 28 71.871 6.359 4.628 1.00 0.00 C ATOM 430 CG MET A 28 71.639 7.488 3.623 1.00 0.00 C ATOM 431 SD MET A 28 73.043 8.635 3.669 1.00 0.00 S ATOM 432 CE MET A 28 72.725 9.344 5.305 1.00 0.00 C ATOM 0 H MET A 28 69.556 6.732 5.521 1.00 0.00 H new ATOM 0 HA MET A 28 70.658 5.004 3.468 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.903 6.760 5.641 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.835 5.885 4.443 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.523 7.078 2.620 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.716 8.017 3.860 1.00 0.00 H new ATOM 0 HE1 MET A 28 73.195 10.325 5.374 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.650 9.445 5.455 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.138 8.689 6.072 1.00 0.00 H new ATOM 442 N VAL A 29 71.810 3.159 4.796 1.00 0.00 N ATOM 443 CA VAL A 29 72.209 1.941 5.516 1.00 0.00 C ATOM 444 C VAL A 29 73.684 1.641 5.256 1.00 0.00 C ATOM 445 O VAL A 29 74.197 1.904 4.171 1.00 0.00 O ATOM 446 CB VAL A 29 71.339 0.742 5.097 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.310 0.608 3.571 1.00 0.00 C ATOM 448 CG2 VAL A 29 71.917 -0.541 5.710 1.00 0.00 C ATOM 0 H VAL A 29 72.148 3.207 3.835 1.00 0.00 H new ATOM 0 HA VAL A 29 72.061 2.109 6.583 1.00 0.00 H new ATOM 0 HB VAL A 29 70.322 0.901 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.691 -0.244 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 29 70.895 1.516 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.324 0.457 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.304 -1.393 5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 29 72.937 -0.687 5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 29 71.921 -0.455 6.797 1.00 0.00 H new ATOM 458 N GLU A 30 74.356 1.098 6.273 1.00 0.00 N ATOM 459 CA GLU A 30 75.782 0.770 6.177 1.00 0.00 C ATOM 460 C GLU A 30 75.986 -0.749 6.165 1.00 0.00 C ATOM 461 O GLU A 30 75.423 -1.469 6.989 1.00 0.00 O ATOM 462 CB GLU A 30 76.516 1.395 7.376 1.00 0.00 C ATOM 463 CG GLU A 30 78.026 1.142 7.288 1.00 0.00 C ATOM 464 CD GLU A 30 78.623 1.942 6.137 1.00 0.00 C ATOM 465 OE1 GLU A 30 77.909 2.756 5.575 1.00 0.00 O ATOM 466 OE2 GLU A 30 79.784 1.725 5.830 1.00 0.00 O ATOM 0 H GLU A 30 73.935 0.875 7.175 1.00 0.00 H new ATOM 0 HA GLU A 30 76.185 1.171 5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.324 2.468 7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 30 76.127 0.976 8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 30 78.505 1.425 8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 30 78.217 0.079 7.140 1.00 0.00 H new ATOM 473 N LYS A 31 76.799 -1.224 5.220 1.00 0.00 N ATOM 474 CA LYS A 31 77.075 -2.655 5.100 1.00 0.00 C ATOM 475 C LYS A 31 77.546 -3.225 6.438 1.00 0.00 C ATOM 476 O LYS A 31 78.357 -2.605 7.122 1.00 0.00 O ATOM 477 CB LYS A 31 78.165 -2.886 4.043 1.00 0.00 C ATOM 478 CG LYS A 31 78.305 -4.382 3.751 1.00 0.00 C ATOM 479 CD LYS A 31 79.293 -4.595 2.604 1.00 0.00 C ATOM 480 CE LYS A 31 79.387 -6.090 2.293 1.00 0.00 C ATOM 481 NZ LYS A 31 80.036 -6.799 3.430 1.00 0.00 N ATOM 0 H LYS A 31 77.275 -0.642 4.531 1.00 0.00 H new ATOM 0 HA LYS A 31 76.156 -3.160 4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 31 77.914 -2.351 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.115 -2.486 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 31 78.650 -4.905 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 31 77.334 -4.803 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 31 78.966 -4.047 1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 31 80.274 -4.205 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 31 78.392 -6.498 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 31 79.961 -6.246 1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 80.344 -7.743 3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 80.861 -6.254 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 79.357 -6.896 4.212 1.00 0.00 H new ATOM 495 N ASP A 32 77.038 -4.412 6.792 1.00 0.00 N ATOM 496 CA ASP A 32 77.409 -5.083 8.042 1.00 0.00 C ATOM 497 C ASP A 32 76.589 -4.571 9.226 1.00 0.00 C ATOM 498 O ASP A 32 76.603 -5.176 10.297 1.00 0.00 O ATOM 499 CB ASP A 32 78.907 -4.909 8.337 1.00 0.00 C ATOM 500 CG ASP A 32 79.710 -5.001 7.043 1.00 0.00 C ATOM 501 OD1 ASP A 32 79.748 -6.078 6.470 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.272 -3.995 6.644 1.00 0.00 O ATOM 0 H ASP A 32 76.365 -4.929 6.226 1.00 0.00 H new ATOM 0 HA ASP A 32 77.192 -6.143 7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.082 -3.945 8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.240 -5.676 9.036 1.00 0.00 H new ATOM 507 N GLN A 33 75.860 -3.465 9.030 1.00 0.00 N ATOM 508 CA GLN A 33 75.024 -2.900 10.097 1.00 0.00 C ATOM 509 C GLN A 33 73.548 -2.970 9.711 1.00 0.00 C ATOM 510 O GLN A 33 72.951 -1.962 9.335 1.00 0.00 O ATOM 511 CB GLN A 33 75.408 -1.443 10.352 1.00 0.00 C ATOM 512 CG GLN A 33 76.810 -1.379 10.961 1.00 0.00 C ATOM 513 CD GLN A 33 77.221 0.075 11.166 1.00 0.00 C ATOM 514 OE1 GLN A 33 76.447 0.987 10.874 1.00 0.00 O ATOM 515 NE2 GLN A 33 78.397 0.346 11.663 1.00 0.00 N ATOM 0 H GLN A 33 75.832 -2.948 8.151 1.00 0.00 H new ATOM 0 HA GLN A 33 75.187 -3.483 11.003 1.00 0.00 H new ATOM 0 HB2 GLN A 33 75.380 -0.881 9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 33 74.687 -0.979 11.025 1.00 0.00 H new ATOM 0 HG2 GLN A 33 76.827 -1.908 11.914 1.00 0.00 H new ATOM 0 HG3 GLN A 33 77.524 -1.879 10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 33 79.036 -0.412 11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 33 78.677 1.316 11.811 1.00 0.00 H new ATOM 524 N ASP A 34 72.966 -4.163 9.818 1.00 0.00 N ATOM 525 CA ASP A 34 71.558 -4.356 9.488 1.00 0.00 C ATOM 526 C ASP A 34 71.141 -5.789 9.779 1.00 0.00 C ATOM 527 O ASP A 34 71.877 -6.728 9.479 1.00 0.00 O ATOM 528 CB ASP A 34 71.298 -4.052 8.011 1.00 0.00 C ATOM 529 CG ASP A 34 69.814 -4.233 7.713 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.061 -4.413 8.656 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.450 -4.195 6.549 1.00 0.00 O ATOM 0 H ASP A 34 73.447 -5.007 10.130 1.00 0.00 H new ATOM 0 HA ASP A 34 70.974 -3.670 10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.606 -3.033 7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.891 -4.716 7.381 1.00 0.00 H new ATOM 536 N LEU A 35 69.956 -5.955 10.364 1.00 0.00 N ATOM 537 CA LEU A 35 69.447 -7.293 10.687 1.00 0.00 C ATOM 538 C LEU A 35 68.137 -7.559 9.956 1.00 0.00 C ATOM 539 O LEU A 35 67.092 -7.000 10.284 1.00 0.00 O ATOM 540 CB LEU A 35 69.245 -7.441 12.200 1.00 0.00 C ATOM 541 CG LEU A 35 70.603 -7.362 12.913 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.374 -7.219 14.421 1.00 0.00 C ATOM 543 CD2 LEU A 35 71.432 -8.635 12.636 1.00 0.00 C ATOM 0 H LEU A 35 69.333 -5.190 10.623 1.00 0.00 H new ATOM 0 HA LEU A 35 70.184 -8.026 10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.584 -6.656 12.567 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.762 -8.393 12.421 1.00 0.00 H new ATOM 0 HG LEU A 35 71.151 -6.498 12.537 1.00 0.00 H new ATOM 0 HD11 LEU A 35 71.336 -7.163 14.931 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.805 -6.311 14.618 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.819 -8.082 14.788 1.00 0.00 H new ATOM 0 HD21 LEU A 35 72.391 -8.563 13.148 1.00 0.00 H new ATOM 0 HD22 LEU A 35 70.891 -9.508 13.000 1.00 0.00 H new ATOM 0 HD23 LEU A 35 71.600 -8.734 11.564 1.00 0.00 H new ATOM 555 N VAL A 36 68.226 -8.435 8.961 1.00 0.00 N ATOM 556 CA VAL A 36 67.079 -8.835 8.140 1.00 0.00 C ATOM 557 C VAL A 36 66.912 -10.350 8.240 1.00 0.00 C ATOM 558 O VAL A 36 67.883 -11.097 8.115 1.00 0.00 O ATOM 559 CB VAL A 36 67.299 -8.381 6.667 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.803 -8.273 6.388 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.684 -9.397 5.683 1.00 0.00 C ATOM 0 H VAL A 36 69.099 -8.892 8.697 1.00 0.00 H new ATOM 0 HA VAL A 36 66.168 -8.357 8.499 1.00 0.00 H new ATOM 0 HB VAL A 36 66.815 -7.414 6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.960 -7.955 5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.247 -7.543 7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.273 -9.244 6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.850 -9.059 4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.154 -10.370 5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.613 -9.481 5.868 1.00 0.00 H new ATOM 571 N GLU A 37 65.678 -10.798 8.465 1.00 0.00 N ATOM 572 CA GLU A 37 65.391 -12.229 8.580 1.00 0.00 C ATOM 573 C GLU A 37 64.459 -12.677 7.456 1.00 0.00 C ATOM 574 O GLU A 37 63.341 -12.181 7.328 1.00 0.00 O ATOM 575 CB GLU A 37 64.727 -12.495 9.932 1.00 0.00 C ATOM 576 CG GLU A 37 64.553 -14.000 10.141 1.00 0.00 C ATOM 577 CD GLU A 37 63.888 -14.262 11.487 1.00 0.00 C ATOM 578 OE1 GLU A 37 62.902 -13.606 11.778 1.00 0.00 O ATOM 579 OE2 GLU A 37 64.377 -15.114 12.210 1.00 0.00 O ATOM 0 H GLU A 37 64.863 -10.194 8.571 1.00 0.00 H new ATOM 0 HA GLU A 37 66.323 -12.789 8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 37 65.335 -12.076 10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 37 63.757 -11.999 9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 37 63.947 -14.420 9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 37 65.523 -14.496 10.102 1.00 0.00 H new ATOM 586 N VAL A 38 64.933 -13.620 6.643 1.00 0.00 N ATOM 587 CA VAL A 38 64.149 -14.144 5.524 1.00 0.00 C ATOM 588 C VAL A 38 64.018 -15.662 5.626 1.00 0.00 C ATOM 589 O VAL A 38 64.964 -16.356 6.013 1.00 0.00 O ATOM 590 CB VAL A 38 64.831 -13.771 4.204 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.699 -12.266 3.966 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.313 -14.142 4.267 1.00 0.00 C ATOM 0 H VAL A 38 65.858 -14.038 6.738 1.00 0.00 H new ATOM 0 HA VAL A 38 63.151 -13.707 5.558 1.00 0.00 H new ATOM 0 HB VAL A 38 64.353 -14.314 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.185 -12.002 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.644 -11.997 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.174 -11.725 4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.795 -13.875 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.789 -13.601 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.413 -15.214 4.435 1.00 0.00 H new ATOM 602 N MET A 39 62.829 -16.168 5.287 1.00 0.00 N ATOM 603 CA MET A 39 62.551 -17.609 5.340 1.00 0.00 C ATOM 604 C MET A 39 62.055 -18.116 3.989 1.00 0.00 C ATOM 605 O MET A 39 61.330 -17.418 3.280 1.00 0.00 O ATOM 606 CB MET A 39 61.489 -17.900 6.405 1.00 0.00 C ATOM 607 CG MET A 39 61.220 -19.406 6.481 1.00 0.00 C ATOM 608 SD MET A 39 60.093 -19.745 7.859 1.00 0.00 S ATOM 609 CE MET A 39 58.618 -18.959 7.162 1.00 0.00 C ATOM 0 H MET A 39 62.041 -15.601 4.972 1.00 0.00 H new ATOM 0 HA MET A 39 63.479 -18.123 5.593 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.825 -17.533 7.375 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.567 -17.370 6.165 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.784 -19.757 5.545 1.00 0.00 H new ATOM 0 HG3 MET A 39 62.156 -19.948 6.620 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.747 -19.585 7.354 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.473 -17.983 7.625 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.746 -18.835 6.087 1.00 0.00 H new ATOM 619 N THR A 40 62.445 -19.344 3.648 1.00 0.00 N ATOM 620 CA THR A 40 62.033 -19.964 2.386 1.00 0.00 C ATOM 621 C THR A 40 61.460 -21.353 2.651 1.00 0.00 C ATOM 622 O THR A 40 60.251 -21.519 2.801 1.00 0.00 O ATOM 623 CB THR A 40 63.231 -20.073 1.429 1.00 0.00 C ATOM 624 OG1 THR A 40 63.078 -21.225 0.612 1.00 0.00 O ATOM 625 CG2 THR A 40 64.537 -20.182 2.224 1.00 0.00 C ATOM 0 H THR A 40 63.046 -19.930 4.227 1.00 0.00 H new ATOM 0 HA THR A 40 61.267 -19.340 1.925 1.00 0.00 H new ATOM 0 HB THR A 40 63.270 -19.180 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 40 62.732 -20.960 -0.266 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.378 -20.259 1.534 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.659 -19.296 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.505 -21.069 2.857 1.00 0.00 H new ATOM 633 N ASP A 41 62.341 -22.347 2.712 1.00 0.00 N ATOM 634 CA ASP A 41 61.904 -23.724 2.969 1.00 0.00 C ATOM 635 C ASP A 41 61.726 -23.939 4.473 1.00 0.00 C ATOM 636 O ASP A 41 62.193 -24.933 5.026 1.00 0.00 O ATOM 637 CB ASP A 41 62.945 -24.712 2.434 1.00 0.00 C ATOM 638 CG ASP A 41 62.455 -26.143 2.625 1.00 0.00 C ATOM 639 OD1 ASP A 41 61.443 -26.323 3.284 1.00 0.00 O ATOM 640 OD2 ASP A 41 63.099 -27.042 2.108 1.00 0.00 O ATOM 0 H ASP A 41 63.347 -22.233 2.590 1.00 0.00 H new ATOM 0 HA ASP A 41 60.954 -23.893 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 41 63.130 -24.521 1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 41 63.893 -24.571 2.954 1.00 0.00 H new ATOM 645 N LYS A 42 61.046 -22.996 5.127 1.00 0.00 N ATOM 646 CA LYS A 42 60.813 -23.086 6.564 1.00 0.00 C ATOM 647 C LYS A 42 62.140 -23.078 7.318 1.00 0.00 C ATOM 648 O LYS A 42 62.303 -23.789 8.309 1.00 0.00 O ATOM 649 CB LYS A 42 60.050 -24.370 6.911 1.00 0.00 C ATOM 650 CG LYS A 42 58.850 -24.574 5.974 1.00 0.00 C ATOM 651 CD LYS A 42 57.823 -23.451 6.154 1.00 0.00 C ATOM 652 CE LYS A 42 56.596 -23.751 5.293 1.00 0.00 C ATOM 653 NZ LYS A 42 55.547 -22.722 5.544 1.00 0.00 N ATOM 0 H LYS A 42 60.650 -22.166 4.685 1.00 0.00 H new ATOM 0 HA LYS A 42 60.217 -22.223 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 42 60.721 -25.226 6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.704 -24.323 7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 42 59.191 -24.599 4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.382 -25.537 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.536 -23.369 7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 42 58.259 -22.494 5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 42 56.871 -23.755 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 42 56.210 -24.743 5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 54.713 -22.927 4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 55.277 -22.739 6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.918 -21.781 5.301 1.00 0.00 H new ATOM 667 N VAL A 43 63.083 -22.263 6.844 1.00 0.00 N ATOM 668 CA VAL A 43 64.400 -22.150 7.475 1.00 0.00 C ATOM 669 C VAL A 43 64.681 -20.690 7.808 1.00 0.00 C ATOM 670 O VAL A 43 64.444 -19.797 6.995 1.00 0.00 O ATOM 671 CB VAL A 43 65.493 -22.675 6.539 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.846 -22.652 7.262 1.00 0.00 C ATOM 673 CG2 VAL A 43 65.162 -24.107 6.117 1.00 0.00 C ATOM 0 H VAL A 43 62.960 -21.670 6.023 1.00 0.00 H new ATOM 0 HA VAL A 43 64.401 -22.747 8.387 1.00 0.00 H new ATOM 0 HB VAL A 43 65.546 -22.040 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 43 67.622 -23.026 6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 43 67.083 -21.630 7.558 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.795 -23.284 8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 43 65.941 -24.479 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 43 65.106 -24.743 7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 43 64.203 -24.121 5.598 1.00 0.00 H new ATOM 683 N THR A 44 65.186 -20.452 9.011 1.00 0.00 N ATOM 684 CA THR A 44 65.495 -19.090 9.454 1.00 0.00 C ATOM 685 C THR A 44 66.966 -18.780 9.208 1.00 0.00 C ATOM 686 O THR A 44 67.843 -19.446 9.760 1.00 0.00 O ATOM 687 CB THR A 44 65.208 -18.950 10.956 1.00 0.00 C ATOM 688 OG1 THR A 44 63.956 -19.548 11.261 1.00 0.00 O ATOM 689 CG2 THR A 44 65.166 -17.471 11.350 1.00 0.00 C ATOM 0 H THR A 44 65.391 -21.177 9.698 1.00 0.00 H new ATOM 0 HA THR A 44 64.873 -18.395 8.891 1.00 0.00 H new ATOM 0 HB THR A 44 66.002 -19.449 11.512 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.776 -19.459 12.220 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.962 -17.384 12.417 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.127 -17.007 11.126 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.380 -16.967 10.788 1.00 0.00 H new ATOM 697 N VAL A 45 67.238 -17.765 8.391 1.00 0.00 N ATOM 698 CA VAL A 45 68.622 -17.379 8.100 1.00 0.00 C ATOM 699 C VAL A 45 68.779 -15.862 8.138 1.00 0.00 C ATOM 700 O VAL A 45 67.826 -15.118 7.899 1.00 0.00 O ATOM 701 CB VAL A 45 69.032 -17.899 6.719 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.943 -19.429 6.698 1.00 0.00 C ATOM 703 CG2 VAL A 45 68.092 -17.317 5.659 1.00 0.00 C ATOM 0 H VAL A 45 66.530 -17.199 7.922 1.00 0.00 H new ATOM 0 HA VAL A 45 69.266 -17.819 8.862 1.00 0.00 H new ATOM 0 HB VAL A 45 70.057 -17.595 6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.235 -19.797 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.611 -19.843 7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.919 -19.737 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.381 -17.685 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.068 -17.622 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.157 -16.229 5.673 1.00 0.00 H new ATOM 713 N LYS A 46 70.001 -15.412 8.429 1.00 0.00 N ATOM 714 CA LYS A 46 70.310 -13.981 8.491 1.00 0.00 C ATOM 715 C LYS A 46 71.377 -13.639 7.459 1.00 0.00 C ATOM 716 O LYS A 46 72.379 -14.343 7.334 1.00 0.00 O ATOM 717 CB LYS A 46 70.816 -13.618 9.889 1.00 0.00 C ATOM 718 CG LYS A 46 69.681 -13.784 10.900 1.00 0.00 C ATOM 719 CD LYS A 46 70.193 -13.456 12.306 1.00 0.00 C ATOM 720 CE LYS A 46 69.055 -13.607 13.322 1.00 0.00 C ATOM 721 NZ LYS A 46 68.876 -15.050 13.647 1.00 0.00 N ATOM 0 H LYS A 46 70.796 -16.020 8.626 1.00 0.00 H new ATOM 0 HA LYS A 46 69.405 -13.413 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.656 -14.257 10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.180 -12.591 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 46 68.851 -13.126 10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.300 -14.805 10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.016 -14.121 12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 46 70.584 -12.439 12.332 1.00 0.00 H new ATOM 0 HE2 LYS A 46 69.282 -13.044 14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 46 68.131 -13.196 12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.105 -15.158 14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 68.641 -15.575 12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 69.757 -15.427 14.052 1.00 0.00 H new ATOM 735 N ILE A 47 71.149 -12.559 6.709 1.00 0.00 N ATOM 736 CA ILE A 47 72.095 -12.132 5.664 1.00 0.00 C ATOM 737 C ILE A 47 72.518 -10.659 5.865 1.00 0.00 C ATOM 738 O ILE A 47 71.669 -9.814 6.150 1.00 0.00 O ATOM 739 CB ILE A 47 71.420 -12.280 4.291 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.938 -13.724 4.111 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.405 -11.942 3.165 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.021 -13.799 2.887 1.00 0.00 C ATOM 0 H ILE A 47 70.325 -11.965 6.801 1.00 0.00 H new ATOM 0 HA ILE A 47 72.986 -12.757 5.723 1.00 0.00 H new ATOM 0 HB ILE A 47 70.576 -11.592 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.790 -14.391 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.404 -14.056 5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.908 -12.053 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.750 -10.914 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.258 -12.618 3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.675 -14.824 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.163 -13.143 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.571 -13.484 2.000 1.00 0.00 H new ATOM 754 N PRO A 48 73.791 -10.313 5.696 1.00 0.00 N ATOM 755 CA PRO A 48 74.244 -8.887 5.840 1.00 0.00 C ATOM 756 C PRO A 48 73.404 -7.937 4.971 1.00 0.00 C ATOM 757 O PRO A 48 72.837 -8.361 3.964 1.00 0.00 O ATOM 758 CB PRO A 48 75.715 -8.903 5.362 1.00 0.00 C ATOM 759 CG PRO A 48 76.171 -10.327 5.466 1.00 0.00 C ATOM 760 CD PRO A 48 74.923 -11.215 5.373 1.00 0.00 C ATOM 0 HA PRO A 48 74.135 -8.527 6.863 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.795 -8.542 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.332 -8.250 5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.872 -10.565 4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.693 -10.495 6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.816 -11.643 4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.977 -12.048 6.074 1.00 0.00 H new ATOM 768 N SER A 49 73.315 -6.661 5.374 1.00 0.00 N ATOM 769 CA SER A 49 72.532 -5.675 4.626 1.00 0.00 C ATOM 770 C SER A 49 72.670 -5.887 3.106 1.00 0.00 C ATOM 771 O SER A 49 73.567 -6.592 2.644 1.00 0.00 O ATOM 772 CB SER A 49 72.991 -4.253 5.023 1.00 0.00 C ATOM 773 OG SER A 49 73.940 -4.358 6.077 1.00 0.00 O ATOM 0 H SER A 49 73.773 -6.293 6.208 1.00 0.00 H new ATOM 0 HA SER A 49 71.478 -5.800 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.433 -3.745 4.166 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.137 -3.655 5.342 1.00 0.00 H new ATOM 0 HG SER A 49 74.316 -3.473 6.268 1.00 0.00 H new ATOM 779 N PRO A 50 71.795 -5.293 2.329 1.00 0.00 N ATOM 780 CA PRO A 50 71.810 -5.423 0.837 1.00 0.00 C ATOM 781 C PRO A 50 72.826 -4.493 0.145 1.00 0.00 C ATOM 782 O PRO A 50 72.475 -3.813 -0.818 1.00 0.00 O ATOM 783 CB PRO A 50 70.376 -5.040 0.464 1.00 0.00 C ATOM 784 CG PRO A 50 70.013 -3.994 1.461 1.00 0.00 C ATOM 785 CD PRO A 50 70.680 -4.430 2.770 1.00 0.00 C ATOM 0 HA PRO A 50 72.115 -6.419 0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.317 -4.658 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.706 -5.897 0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 50 70.368 -3.012 1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.932 -3.920 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 50 71.039 -3.573 3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 50 69.985 -4.972 3.412 1.00 0.00 H new ATOM 793 N VAL A 51 74.079 -4.478 0.622 1.00 0.00 N ATOM 794 CA VAL A 51 75.129 -3.641 0.009 1.00 0.00 C ATOM 795 C VAL A 51 74.885 -2.146 0.265 1.00 0.00 C ATOM 796 O VAL A 51 73.880 -1.585 -0.174 1.00 0.00 O ATOM 797 CB VAL A 51 75.206 -3.919 -1.509 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.512 -3.353 -2.074 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.172 -5.436 -1.748 1.00 0.00 C ATOM 0 H VAL A 51 74.391 -5.029 1.422 1.00 0.00 H new ATOM 0 HA VAL A 51 76.080 -3.903 0.473 1.00 0.00 H new ATOM 0 HB VAL A 51 74.360 -3.444 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.562 -3.552 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.547 -2.277 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.359 -3.827 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.226 -5.637 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.021 -5.902 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.245 -5.847 -1.348 1.00 0.00 H new ATOM 809 N ARG A 52 75.819 -1.505 0.982 1.00 0.00 N ATOM 810 CA ARG A 52 75.712 -0.078 1.297 1.00 0.00 C ATOM 811 C ARG A 52 75.339 0.733 0.061 1.00 0.00 C ATOM 812 O ARG A 52 75.891 0.527 -1.020 1.00 0.00 O ATOM 813 CB ARG A 52 77.061 0.411 1.842 1.00 0.00 C ATOM 814 CG ARG A 52 76.980 1.886 2.241 1.00 0.00 C ATOM 815 CD ARG A 52 78.345 2.339 2.762 1.00 0.00 C ATOM 816 NE ARG A 52 79.328 2.310 1.687 1.00 0.00 N ATOM 817 CZ ARG A 52 80.597 2.631 1.906 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.984 2.981 3.103 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.459 2.588 0.928 1.00 0.00 N ATOM 0 H ARG A 52 76.656 -1.954 1.354 1.00 0.00 H new ATOM 0 HA ARG A 52 74.927 0.059 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.349 -0.189 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.835 0.275 1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.685 2.492 1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 52 76.219 2.027 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.271 3.347 3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.666 1.689 3.576 1.00 0.00 H new ATOM 0 HE ARG A 52 79.035 2.038 0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.311 3.008 3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.959 3.228 3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 52 81.158 2.308 -0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.434 2.835 1.097 1.00 0.00 H new ATOM 833 N GLY A 53 74.402 1.662 0.238 1.00 0.00 N ATOM 834 CA GLY A 53 73.956 2.513 -0.857 1.00 0.00 C ATOM 835 C GLY A 53 72.710 3.298 -0.449 1.00 0.00 C ATOM 836 O GLY A 53 72.589 3.716 0.702 1.00 0.00 O ATOM 0 H GLY A 53 73.939 1.843 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.752 3.203 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.738 1.904 -1.734 1.00 0.00 H new ATOM 840 N LYS A 54 71.780 3.498 -1.391 1.00 0.00 N ATOM 841 CA LYS A 54 70.544 4.238 -1.098 1.00 0.00 C ATOM 842 C LYS A 54 69.322 3.368 -1.371 1.00 0.00 C ATOM 843 O LYS A 54 69.321 2.551 -2.292 1.00 0.00 O ATOM 844 CB LYS A 54 70.477 5.511 -1.953 1.00 0.00 C ATOM 845 CG LYS A 54 71.576 6.478 -1.509 1.00 0.00 C ATOM 846 CD LYS A 54 71.485 7.766 -2.332 1.00 0.00 C ATOM 847 CE LYS A 54 72.596 8.727 -1.905 1.00 0.00 C ATOM 848 NZ LYS A 54 72.506 9.978 -2.711 1.00 0.00 N ATOM 0 H LYS A 54 71.857 3.163 -2.351 1.00 0.00 H new ATOM 0 HA LYS A 54 70.549 4.514 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.600 5.262 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.499 5.981 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.470 6.703 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.555 6.018 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 54 71.576 7.538 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 54 70.511 8.233 -2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.504 8.958 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 54 73.570 8.260 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 73.261 10.632 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 72.614 9.749 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 71.581 10.426 -2.554 1.00 0.00 H new ATOM 862 N ILE A 55 68.284 3.540 -0.549 1.00 0.00 N ATOM 863 CA ILE A 55 67.053 2.760 -0.691 1.00 0.00 C ATOM 864 C ILE A 55 65.982 3.617 -1.372 1.00 0.00 C ATOM 865 O ILE A 55 65.637 4.692 -0.882 1.00 0.00 O ATOM 866 CB ILE A 55 66.559 2.318 0.700 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.754 1.927 1.589 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.617 1.116 0.572 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.607 0.845 0.918 1.00 0.00 C ATOM 0 H ILE A 55 68.271 4.210 0.220 1.00 0.00 H new ATOM 0 HA ILE A 55 67.249 1.877 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 55 66.024 3.152 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.367 2.806 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.393 1.565 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.276 0.814 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.758 1.391 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.147 0.287 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.444 0.587 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.998 -0.042 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.987 1.219 -0.033 1.00 0.00 H new ATOM 881 N VAL A 56 65.474 3.148 -2.512 1.00 0.00 N ATOM 882 CA VAL A 56 64.458 3.905 -3.252 1.00 0.00 C ATOM 883 C VAL A 56 63.062 3.714 -2.647 1.00 0.00 C ATOM 884 O VAL A 56 62.369 4.693 -2.367 1.00 0.00 O ATOM 885 CB VAL A 56 64.469 3.479 -4.738 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.177 3.928 -5.439 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.671 4.128 -5.441 1.00 0.00 C ATOM 0 H VAL A 56 65.742 2.262 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 56 64.702 4.965 -3.180 1.00 0.00 H new ATOM 0 HB VAL A 56 64.541 2.393 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.204 3.619 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.318 3.471 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.091 5.013 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.683 3.831 -6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.590 5.213 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.593 3.802 -4.960 1.00 0.00 H new ATOM 897 N LYS A 57 62.643 2.464 -2.457 1.00 0.00 N ATOM 898 CA LYS A 57 61.316 2.205 -1.901 1.00 0.00 C ATOM 899 C LYS A 57 61.173 0.742 -1.490 1.00 0.00 C ATOM 900 O LYS A 57 61.890 -0.122 -1.989 1.00 0.00 O ATOM 901 CB LYS A 57 60.256 2.559 -2.951 1.00 0.00 C ATOM 902 CG LYS A 57 58.849 2.411 -2.365 1.00 0.00 C ATOM 903 CD LYS A 57 57.829 2.868 -3.409 1.00 0.00 C ATOM 904 CE LYS A 57 56.416 2.771 -2.829 1.00 0.00 C ATOM 905 NZ LYS A 57 55.434 3.218 -3.859 1.00 0.00 N ATOM 0 H LYS A 57 63.190 1.631 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 57 61.179 2.820 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.406 3.582 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.365 1.909 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.664 1.374 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.753 3.008 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.039 3.894 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 57 57.908 2.250 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.203 1.746 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.333 3.391 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.471 3.155 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.635 4.203 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.510 2.609 -4.698 1.00 0.00 H new ATOM 919 N ILE A 58 60.246 0.475 -0.569 1.00 0.00 N ATOM 920 CA ILE A 58 60.019 -0.886 -0.089 1.00 0.00 C ATOM 921 C ILE A 58 59.040 -1.622 -1.012 1.00 0.00 C ATOM 922 O ILE A 58 57.882 -1.230 -1.152 1.00 0.00 O ATOM 923 CB ILE A 58 59.497 -0.824 1.368 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.884 -2.113 2.115 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.971 -0.637 1.399 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.155 -2.195 3.465 1.00 0.00 C ATOM 0 H ILE A 58 59.644 1.180 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 58 60.954 -1.447 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 58 59.955 0.033 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.633 -2.982 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.962 -2.137 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.630 -0.597 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.708 0.292 0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.491 -1.474 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.442 -3.113 3.978 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.428 -1.336 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.078 -2.194 3.298 1.00 0.00 H new ATOM 938 N LEU A 59 59.521 -2.686 -1.658 1.00 0.00 N ATOM 939 CA LEU A 59 58.674 -3.453 -2.576 1.00 0.00 C ATOM 940 C LEU A 59 57.877 -4.535 -1.844 1.00 0.00 C ATOM 941 O LEU A 59 56.782 -4.895 -2.276 1.00 0.00 O ATOM 942 CB LEU A 59 59.526 -4.095 -3.677 1.00 0.00 C ATOM 943 CG LEU A 59 60.069 -3.016 -4.631 1.00 0.00 C ATOM 944 CD1 LEU A 59 61.091 -3.659 -5.582 1.00 0.00 C ATOM 945 CD2 LEU A 59 58.919 -2.388 -5.450 1.00 0.00 C ATOM 0 H LEU A 59 60.476 -3.033 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 59 57.965 -2.756 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 59 60.354 -4.645 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 59 58.928 -4.816 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 59 60.546 -2.229 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 59 61.482 -2.902 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 59 61.911 -4.083 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 59 60.607 -4.448 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 59 59.322 -1.627 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 59 58.425 -3.162 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.198 -1.930 -4.773 1.00 0.00 H new ATOM 957 N TYR A 60 58.426 -5.057 -0.746 1.00 0.00 N ATOM 958 CA TYR A 60 57.749 -6.109 0.030 1.00 0.00 C ATOM 959 C TYR A 60 57.466 -5.651 1.463 1.00 0.00 C ATOM 960 O TYR A 60 58.250 -4.913 2.061 1.00 0.00 O ATOM 961 CB TYR A 60 58.624 -7.380 0.046 1.00 0.00 C ATOM 962 CG TYR A 60 58.344 -8.214 -1.197 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.775 -7.774 -2.458 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.635 -9.425 -1.084 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.503 -8.542 -3.596 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.368 -10.187 -2.225 1.00 0.00 C ATOM 967 CZ TYR A 60 57.801 -9.747 -3.479 1.00 0.00 C ATOM 968 OH TYR A 60 57.527 -10.498 -4.602 1.00 0.00 O ATOM 0 H TYR A 60 59.332 -4.774 -0.372 1.00 0.00 H new ATOM 0 HA TYR A 60 56.793 -6.325 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.678 -7.106 0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.416 -7.965 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.316 -6.844 -2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.298 -9.765 -0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.836 -8.204 -4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 60 56.826 -11.117 -2.138 1.00 0.00 H new ATOM 0 HH TYR A 60 57.034 -11.305 -4.344 1.00 0.00 H new ATOM 978 N ARG A 61 56.335 -6.120 2.005 1.00 0.00 N ATOM 979 CA ARG A 61 55.923 -5.791 3.372 1.00 0.00 C ATOM 980 C ARG A 61 55.643 -7.071 4.154 1.00 0.00 C ATOM 981 O ARG A 61 55.651 -8.168 3.592 1.00 0.00 O ATOM 982 CB ARG A 61 54.668 -4.916 3.353 1.00 0.00 C ATOM 983 CG ARG A 61 55.008 -3.551 2.753 1.00 0.00 C ATOM 984 CD ARG A 61 53.741 -2.703 2.659 1.00 0.00 C ATOM 985 NE ARG A 61 53.221 -2.429 3.995 1.00 0.00 N ATOM 986 CZ ARG A 61 52.030 -1.865 4.170 1.00 0.00 C ATOM 987 NH1 ARG A 61 51.298 -1.541 3.140 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.590 -1.641 5.377 1.00 0.00 N ATOM 0 H ARG A 61 55.686 -6.733 1.512 1.00 0.00 H new ATOM 0 HA ARG A 61 56.731 -5.242 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.885 -5.398 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 61 54.281 -4.794 4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 61 55.751 -3.046 3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 61 55.448 -3.677 1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 61 53.958 -1.766 2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.988 -3.224 2.067 1.00 0.00 H new ATOM 0 HE ARG A 61 53.782 -2.675 4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 61 51.639 -1.720 2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 61 50.385 -1.108 3.279 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.159 -1.898 6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 61 50.677 -1.208 5.515 1.00 0.00 H new ATOM 1002 N GLU A 62 55.408 -6.923 5.456 1.00 0.00 N ATOM 1003 CA GLU A 62 55.138 -8.074 6.316 1.00 0.00 C ATOM 1004 C GLU A 62 53.839 -8.770 5.923 1.00 0.00 C ATOM 1005 O GLU A 62 52.877 -8.123 5.510 1.00 0.00 O ATOM 1006 CB GLU A 62 55.032 -7.627 7.779 1.00 0.00 C ATOM 1007 CG GLU A 62 56.393 -7.128 8.258 1.00 0.00 C ATOM 1008 CD GLU A 62 56.303 -6.667 9.709 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.236 -6.795 10.287 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.303 -6.193 10.222 1.00 0.00 O ATOM 0 H GLU A 62 55.399 -6.023 5.937 1.00 0.00 H new ATOM 0 HA GLU A 62 55.965 -8.773 6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.288 -6.836 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 62 54.698 -8.457 8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.133 -7.923 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.730 -6.305 7.627 1.00 0.00 H new ATOM 1017 N GLY A 63 53.813 -10.095 6.076 1.00 0.00 N ATOM 1018 CA GLY A 63 52.612 -10.870 5.754 1.00 0.00 C ATOM 1019 C GLY A 63 52.562 -11.248 4.277 1.00 0.00 C ATOM 1020 O GLY A 63 51.563 -11.795 3.807 1.00 0.00 O ATOM 0 H GLY A 63 54.599 -10.649 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 63 52.589 -11.775 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 63 51.725 -10.290 6.011 1.00 0.00 H new ATOM 1024 N GLN A 64 53.632 -10.949 3.541 1.00 0.00 N ATOM 1025 CA GLN A 64 53.677 -11.257 2.109 1.00 0.00 C ATOM 1026 C GLN A 64 54.473 -12.523 1.821 1.00 0.00 C ATOM 1027 O GLN A 64 55.645 -12.640 2.178 1.00 0.00 O ATOM 1028 CB GLN A 64 54.289 -10.087 1.338 1.00 0.00 C ATOM 1029 CG GLN A 64 53.304 -8.921 1.334 1.00 0.00 C ATOM 1030 CD GLN A 64 53.914 -7.723 0.615 1.00 0.00 C ATOM 1031 OE1 GLN A 64 55.008 -7.827 0.058 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.282 -6.582 0.601 1.00 0.00 N ATOM 0 H GLN A 64 54.471 -10.499 3.906 1.00 0.00 H new ATOM 0 HA GLN A 64 52.650 -11.423 1.782 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.229 -9.784 1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.518 -10.389 0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.378 -9.218 0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.047 -8.648 2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.376 -6.495 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.694 -5.777 0.129 1.00 0.00 H new ATOM 1041 N VAL A 65 53.810 -13.453 1.139 1.00 0.00 N ATOM 1042 CA VAL A 65 54.415 -14.726 0.742 1.00 0.00 C ATOM 1043 C VAL A 65 54.264 -14.884 -0.765 1.00 0.00 C ATOM 1044 O VAL A 65 53.164 -14.743 -1.299 1.00 0.00 O ATOM 1045 CB VAL A 65 53.719 -15.881 1.472 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.201 -15.773 1.305 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.205 -17.220 0.908 1.00 0.00 C ATOM 0 H VAL A 65 52.839 -13.348 0.845 1.00 0.00 H new ATOM 0 HA VAL A 65 55.472 -14.740 1.007 1.00 0.00 H new ATOM 0 HB VAL A 65 53.964 -15.825 2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.718 -16.599 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 65 51.855 -14.827 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 65 51.948 -15.816 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.707 -18.037 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 65 53.971 -17.273 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.283 -17.304 1.047 1.00 0.00 H new ATOM 1057 N VAL A 66 55.373 -15.136 -1.460 1.00 0.00 N ATOM 1058 CA VAL A 66 55.330 -15.259 -2.923 1.00 0.00 C ATOM 1059 C VAL A 66 56.395 -16.247 -3.440 1.00 0.00 C ATOM 1060 O VAL A 66 57.527 -16.224 -2.957 1.00 0.00 O ATOM 1061 CB VAL A 66 55.623 -13.884 -3.540 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.264 -13.890 -5.026 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.800 -12.802 -2.835 1.00 0.00 C ATOM 0 H VAL A 66 56.297 -15.258 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 66 54.343 -15.626 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 66 56.685 -13.671 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.475 -12.911 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 66 55.856 -14.647 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.204 -14.117 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.017 -11.831 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.738 -13.023 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.059 -12.780 -1.776 1.00 0.00 H new ATOM 1073 N PRO A 67 56.101 -17.076 -4.437 1.00 0.00 N ATOM 1074 CA PRO A 67 57.132 -18.001 -5.005 1.00 0.00 C ATOM 1075 C PRO A 67 58.379 -17.233 -5.463 1.00 0.00 C ATOM 1076 O PRO A 67 58.284 -16.080 -5.884 1.00 0.00 O ATOM 1077 CB PRO A 67 56.430 -18.667 -6.204 1.00 0.00 C ATOM 1078 CG PRO A 67 54.967 -18.531 -5.932 1.00 0.00 C ATOM 1079 CD PRO A 67 54.793 -17.254 -5.106 1.00 0.00 C ATOM 0 HA PRO A 67 57.482 -18.725 -4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.703 -18.179 -7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.717 -19.715 -6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.404 -18.470 -6.863 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.592 -19.398 -5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.549 -16.400 -5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 67 53.985 -17.355 -4.381 1.00 0.00 H new ATOM 1087 N VAL A 68 59.540 -17.873 -5.370 1.00 0.00 N ATOM 1088 CA VAL A 68 60.793 -17.233 -5.773 1.00 0.00 C ATOM 1089 C VAL A 68 60.676 -16.624 -7.168 1.00 0.00 C ATOM 1090 O VAL A 68 60.244 -17.285 -8.112 1.00 0.00 O ATOM 1091 CB VAL A 68 61.926 -18.273 -5.765 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.547 -19.449 -6.670 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.219 -17.639 -6.290 1.00 0.00 C ATOM 0 H VAL A 68 59.642 -18.826 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 68 61.012 -16.434 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 68 62.079 -18.623 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.350 -20.186 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.629 -19.909 -6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.391 -19.090 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.017 -18.381 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.063 -17.285 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.497 -16.799 -5.653 1.00 0.00 H new ATOM 1103 N GLY A 69 61.082 -15.359 -7.292 1.00 0.00 N ATOM 1104 CA GLY A 69 61.042 -14.661 -8.583 1.00 0.00 C ATOM 1105 C GLY A 69 60.466 -13.252 -8.452 1.00 0.00 C ATOM 1106 O GLY A 69 59.534 -12.891 -9.174 1.00 0.00 O ATOM 0 H GLY A 69 61.441 -14.797 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.049 -14.604 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.440 -15.235 -9.287 1.00 0.00 H new ATOM 1110 N SER A 70 61.018 -12.449 -7.537 1.00 0.00 N ATOM 1111 CA SER A 70 60.531 -11.080 -7.353 1.00 0.00 C ATOM 1112 C SER A 70 61.605 -10.195 -6.728 1.00 0.00 C ATOM 1113 O SER A 70 62.592 -10.688 -6.183 1.00 0.00 O ATOM 1114 CB SER A 70 59.304 -11.077 -6.452 1.00 0.00 C ATOM 1115 OG SER A 70 58.386 -12.070 -6.892 1.00 0.00 O ATOM 0 H SER A 70 61.788 -12.717 -6.923 1.00 0.00 H new ATOM 0 HA SER A 70 60.273 -10.685 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.598 -11.271 -5.420 1.00 0.00 H new ATOM 0 HB3 SER A 70 58.830 -10.096 -6.470 1.00 0.00 H new ATOM 0 HG SER A 70 58.474 -12.191 -7.861 1.00 0.00 H new ATOM 1121 N THR A 71 61.401 -8.876 -6.804 1.00 0.00 N ATOM 1122 CA THR A 71 62.358 -7.919 -6.238 1.00 0.00 C ATOM 1123 C THR A 71 61.925 -7.492 -4.841 1.00 0.00 C ATOM 1124 O THR A 71 60.919 -6.804 -4.671 1.00 0.00 O ATOM 1125 CB THR A 71 62.453 -6.677 -7.135 1.00 0.00 C ATOM 1126 OG1 THR A 71 61.155 -6.341 -7.606 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.364 -6.971 -8.322 1.00 0.00 C ATOM 0 H THR A 71 60.588 -8.449 -7.248 1.00 0.00 H new ATOM 0 HA THR A 71 63.332 -8.405 -6.179 1.00 0.00 H new ATOM 0 HB THR A 71 62.864 -5.845 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 71 61.210 -5.547 -8.178 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.430 -6.088 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.358 -7.234 -7.961 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.956 -7.802 -8.897 1.00 0.00 H new ATOM 1135 N LEU A 72 62.697 -7.905 -3.850 1.00 0.00 N ATOM 1136 CA LEU A 72 62.405 -7.567 -2.467 1.00 0.00 C ATOM 1137 C LEU A 72 62.503 -6.058 -2.257 1.00 0.00 C ATOM 1138 O LEU A 72 61.701 -5.463 -1.538 1.00 0.00 O ATOM 1139 CB LEU A 72 63.418 -8.272 -1.563 1.00 0.00 C ATOM 1140 CG LEU A 72 63.070 -9.757 -1.439 1.00 0.00 C ATOM 1141 CD1 LEU A 72 62.826 -10.370 -2.817 1.00 0.00 C ATOM 1142 CD2 LEU A 72 64.229 -10.472 -0.745 1.00 0.00 C ATOM 0 H LEU A 72 63.532 -8.476 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 72 61.393 -7.889 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.422 -8.159 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 72 63.421 -7.808 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 72 62.157 -9.869 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 72 62.580 -11.426 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 72 61.999 -9.854 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.725 -10.268 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 72 63.997 -11.533 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 72 65.137 -10.352 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 72 64.381 -10.042 0.245 1.00 0.00 H new ATOM 1154 N LEU A 73 63.518 -5.459 -2.871 1.00 0.00 N ATOM 1155 CA LEU A 73 63.759 -4.026 -2.740 1.00 0.00 C ATOM 1156 C LEU A 73 64.690 -3.566 -3.873 1.00 0.00 C ATOM 1157 O LEU A 73 65.561 -4.321 -4.305 1.00 0.00 O ATOM 1158 CB LEU A 73 64.351 -3.775 -1.323 1.00 0.00 C ATOM 1159 CG LEU A 73 65.331 -2.589 -1.276 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.625 -1.261 -1.589 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.977 -2.508 0.117 1.00 0.00 C ATOM 0 H LEU A 73 64.189 -5.945 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 73 62.842 -3.444 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.536 -3.592 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.864 -4.676 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 73 66.095 -2.755 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.348 -0.446 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.188 -1.307 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.837 -1.086 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.671 -1.668 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.202 -2.367 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 73 66.517 -3.432 0.322 1.00 0.00 H new ATOM 1173 N GLN A 74 64.501 -2.334 -4.359 1.00 0.00 N ATOM 1174 CA GLN A 74 65.337 -1.809 -5.456 1.00 0.00 C ATOM 1175 C GLN A 74 66.384 -0.831 -4.919 1.00 0.00 C ATOM 1176 O GLN A 74 66.068 0.071 -4.145 1.00 0.00 O ATOM 1177 CB GLN A 74 64.446 -1.103 -6.496 1.00 0.00 C ATOM 1178 CG GLN A 74 65.109 -1.149 -7.879 1.00 0.00 C ATOM 1179 CD GLN A 74 66.441 -0.411 -7.846 1.00 0.00 C ATOM 1180 OE1 GLN A 74 66.504 0.743 -7.420 1.00 0.00 O ATOM 1181 NE2 GLN A 74 67.517 -1.003 -8.287 1.00 0.00 N ATOM 0 H GLN A 74 63.789 -1.687 -4.020 1.00 0.00 H new ATOM 0 HA GLN A 74 65.855 -2.644 -5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.469 -1.585 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.278 -0.068 -6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.266 -2.184 -8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 74 64.452 -0.696 -8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 74 67.465 -1.959 -8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 74 68.410 -0.510 -8.279 1.00 0.00 H new ATOM 1190 N ILE A 75 67.647 -1.035 -5.320 1.00 0.00 N ATOM 1191 CA ILE A 75 68.753 -0.189 -4.851 1.00 0.00 C ATOM 1192 C ILE A 75 69.580 0.357 -6.006 1.00 0.00 C ATOM 1193 O ILE A 75 70.045 -0.389 -6.869 1.00 0.00 O ATOM 1194 CB ILE A 75 69.636 -1.031 -3.924 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.831 -1.417 -2.681 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.875 -0.254 -3.487 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.549 -2.539 -1.935 1.00 0.00 C ATOM 0 H ILE A 75 67.927 -1.774 -5.965 1.00 0.00 H new ATOM 0 HA ILE A 75 68.342 0.670 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 75 69.956 -1.920 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.711 -0.551 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.831 -1.740 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.482 -0.877 -2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.458 0.024 -4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.570 0.646 -2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.975 -2.813 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.646 -3.406 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.540 -2.200 -1.634 1.00 0.00 H new ATOM 1209 N ASP A 76 69.781 1.671 -5.991 1.00 0.00 N ATOM 1210 CA ASP A 76 70.581 2.342 -7.016 1.00 0.00 C ATOM 1211 C ASP A 76 72.012 2.517 -6.518 1.00 0.00 C ATOM 1212 O ASP A 76 72.233 2.834 -5.349 1.00 0.00 O ATOM 1213 CB ASP A 76 69.987 3.715 -7.331 1.00 0.00 C ATOM 1214 CG ASP A 76 68.567 3.558 -7.871 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.252 2.478 -8.340 1.00 0.00 O ATOM 1216 OD2 ASP A 76 67.818 4.517 -7.800 1.00 0.00 O ATOM 0 H ASP A 76 69.401 2.295 -5.280 1.00 0.00 H new ATOM 0 HA ASP A 76 70.578 1.732 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.977 4.331 -6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.609 4.230 -8.063 1.00 0.00 H new ATOM 1221 N THR A 77 72.976 2.312 -7.408 1.00 0.00 N ATOM 1222 CA THR A 77 74.386 2.451 -7.050 1.00 0.00 C ATOM 1223 C THR A 77 74.837 3.899 -7.214 1.00 0.00 C ATOM 1224 O THR A 77 74.049 4.698 -7.692 1.00 0.00 O ATOM 1225 CB THR A 77 75.241 1.555 -7.950 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.606 1.926 -7.815 1.00 0.00 O ATOM 1227 CG2 THR A 77 74.810 1.737 -9.407 1.00 0.00 C ATOM 1228 OXT THR A 77 75.969 4.187 -6.856 1.00 0.00 O ATOM 0 H THR A 77 72.810 2.050 -8.380 1.00 0.00 H new ATOM 0 HA THR A 77 74.509 2.153 -6.009 1.00 0.00 H new ATOM 0 HB THR A 77 75.111 0.513 -7.659 1.00 0.00 H new ATOM 0 HG1 THR A 77 76.691 2.613 -7.121 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.418 1.099 -10.049 1.00 0.00 H new ATOM 0 HG22 THR A 77 73.760 1.463 -9.513 1.00 0.00 H new ATOM 0 HG23 THR A 77 74.944 2.779 -9.699 1.00 0.00 H new TER 1236 THR A 77