USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 669 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 83 LYS NZ :NH3+ 154:sc= 1.31 (180deg=0) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -5.46! C(o=-4.2!,f=-11!) USER MOD Set 2.1: A 52 SER OG : rot 150:sc= -0.145 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 78 TYR OH : rot -145:sc= 0.634 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 130:sc= -0.672 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 142:sc= -1.13 (180deg=-3.41!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -48:sc= 0.425 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.465 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 21:sc= -1.96! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N GLY A 9 13.536 17.895 -3.071 1.00 0.00 N ATOM 86 CA GLY A 9 12.390 17.667 -3.932 1.00 0.00 C ATOM 87 C GLY A 9 11.079 17.693 -3.172 1.00 0.00 C ATOM 88 O GLY A 9 11.068 17.738 -1.942 1.00 0.00 O ATOM 0 HA2 GLY A 9 12.369 18.428 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.499 16.703 -4.429 1.00 0.00 H new ATOM 92 N ASP A 10 9.971 17.668 -3.905 1.00 0.00 N ATOM 93 CA ASP A 10 8.648 17.690 -3.292 1.00 0.00 C ATOM 94 C ASP A 10 7.889 16.401 -3.591 1.00 0.00 C ATOM 95 O ASP A 10 7.443 16.178 -4.716 1.00 0.00 O ATOM 96 CB ASP A 10 7.850 18.895 -3.795 1.00 0.00 C ATOM 97 CG ASP A 10 8.418 20.211 -3.302 1.00 0.00 C ATOM 98 OD1 ASP A 10 9.656 20.315 -3.179 1.00 0.00 O ATOM 99 OD2 ASP A 10 7.623 21.139 -3.041 1.00 0.00 O ATOM 0 H ASP A 10 9.963 17.632 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 10 8.776 17.773 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.841 18.892 -4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.814 18.804 -3.467 1.00 0.00 H new ATOM 104 N ALA A 11 7.748 15.555 -2.576 1.00 0.00 N ATOM 105 CA ALA A 11 7.043 14.288 -2.730 1.00 0.00 C ATOM 106 C ALA A 11 5.623 14.509 -3.241 1.00 0.00 C ATOM 107 O ALA A 11 5.137 13.764 -4.091 1.00 0.00 O ATOM 108 CB ALA A 11 7.020 13.534 -1.409 1.00 0.00 C ATOM 0 H ALA A 11 8.112 15.724 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 11 7.577 13.690 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.491 12.590 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.042 13.336 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.511 14.135 -0.656 1.00 0.00 H new ATOM 114 N ARG A 12 4.964 15.537 -2.716 1.00 0.00 N ATOM 115 CA ARG A 12 3.599 15.854 -3.118 1.00 0.00 C ATOM 116 C ARG A 12 3.494 15.980 -4.635 1.00 0.00 C ATOM 117 O ARG A 12 2.425 15.781 -5.212 1.00 0.00 O ATOM 118 CB ARG A 12 3.138 17.153 -2.454 1.00 0.00 C ATOM 119 CG ARG A 12 4.036 18.342 -2.753 1.00 0.00 C ATOM 120 CD ARG A 12 3.769 19.496 -1.799 1.00 0.00 C ATOM 121 NE ARG A 12 4.558 19.389 -0.575 1.00 0.00 N ATOM 122 CZ ARG A 12 4.466 20.245 0.436 1.00 0.00 C ATOM 123 NH1 ARG A 12 3.623 21.266 0.369 1.00 0.00 N ATOM 124 NH2 ARG A 12 5.218 20.081 1.517 1.00 0.00 N ATOM 0 H ARG A 12 5.353 16.164 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 12 2.953 15.039 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.125 17.381 -2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.094 17.004 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.080 18.039 -2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.875 18.672 -3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.999 20.438 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.709 19.519 -1.546 1.00 0.00 H new ATOM 0 HE ARG A 12 5.216 18.614 -0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.043 21.395 -0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.554 21.922 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.868 19.297 1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.146 20.739 2.293 1.00 0.00 H new ATOM 138 N ARG A 13 4.611 16.312 -5.274 1.00 0.00 N ATOM 139 CA ARG A 13 4.644 16.467 -6.723 1.00 0.00 C ATOM 140 C ARG A 13 4.832 15.117 -7.410 1.00 0.00 C ATOM 141 O ARG A 13 4.356 14.905 -8.525 1.00 0.00 O ATOM 142 CB ARG A 13 5.770 17.419 -7.130 1.00 0.00 C ATOM 143 CG ARG A 13 5.641 18.808 -6.527 1.00 0.00 C ATOM 144 CD ARG A 13 4.739 19.699 -7.367 1.00 0.00 C ATOM 145 NE ARG A 13 4.255 20.853 -6.614 1.00 0.00 N ATOM 146 CZ ARG A 13 4.993 21.929 -6.363 1.00 0.00 C ATOM 147 NH1 ARG A 13 6.242 21.997 -6.802 1.00 0.00 N ATOM 148 NH2 ARG A 13 4.481 22.939 -5.671 1.00 0.00 N ATOM 0 H ARG A 13 5.505 16.479 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 13 3.690 16.887 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.725 16.989 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.787 17.504 -8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.239 18.731 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.628 19.263 -6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.285 20.043 -8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.889 19.119 -7.727 1.00 0.00 H new ATOM 0 HE ARG A 13 3.298 20.832 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.639 21.222 -7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.806 22.824 -6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.520 22.890 -5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.048 23.765 -5.479 1.00 0.00 H new ATOM 162 N ALA A 14 5.529 14.209 -6.736 1.00 0.00 N ATOM 163 CA ALA A 14 5.779 12.880 -7.280 1.00 0.00 C ATOM 164 C ALA A 14 4.473 12.176 -7.633 1.00 0.00 C ATOM 165 O ALA A 14 3.539 12.140 -6.831 1.00 0.00 O ATOM 166 CB ALA A 14 6.579 12.046 -6.291 1.00 0.00 C ATOM 0 H ALA A 14 5.931 14.369 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 14 6.359 12.993 -8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.758 11.056 -6.711 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.533 12.534 -6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.020 11.950 -5.360 1.00 0.00 H new ATOM 172 N LYS A 15 4.412 11.619 -8.837 1.00 0.00 N ATOM 173 CA LYS A 15 3.221 10.916 -9.297 1.00 0.00 C ATOM 174 C LYS A 15 3.478 9.415 -9.394 1.00 0.00 C ATOM 175 O LYS A 15 4.619 8.980 -9.546 1.00 0.00 O ATOM 176 CB LYS A 15 2.777 11.457 -10.657 1.00 0.00 C ATOM 177 CG LYS A 15 1.816 12.630 -10.561 1.00 0.00 C ATOM 178 CD LYS A 15 0.387 12.163 -10.342 1.00 0.00 C ATOM 179 CE LYS A 15 -0.617 13.156 -10.908 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.020 12.762 -10.603 1.00 0.00 N ATOM 0 H LYS A 15 5.175 11.641 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 15 2.427 11.085 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.657 11.765 -11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.302 10.654 -11.221 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.117 13.282 -9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.870 13.222 -11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.244 11.191 -10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.206 12.029 -9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.420 14.146 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.487 13.228 -11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.673 13.464 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.216 11.829 -11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.152 12.718 -9.572 1.00 0.00 H new ATOM 194 N VAL A 16 2.409 8.629 -9.308 1.00 0.00 N ATOM 195 CA VAL A 16 2.519 7.178 -9.389 1.00 0.00 C ATOM 196 C VAL A 16 1.345 6.580 -10.156 1.00 0.00 C ATOM 197 O VAL A 16 0.185 6.808 -9.812 1.00 0.00 O ATOM 198 CB VAL A 16 2.582 6.540 -7.989 1.00 0.00 C ATOM 199 CG1 VAL A 16 4.014 6.513 -7.478 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.676 7.289 -7.022 1.00 0.00 C ATOM 0 H VAL A 16 1.457 8.973 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 16 3.445 6.960 -9.921 1.00 0.00 H new ATOM 0 HB VAL A 16 2.228 5.511 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.038 6.059 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.633 5.930 -8.160 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.399 7.531 -7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.732 6.825 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.998 8.328 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.648 7.251 -7.383 1.00 0.00 H new ATOM 210 N TYR A 17 1.653 5.813 -11.196 1.00 0.00 N ATOM 211 CA TYR A 17 0.623 5.183 -12.013 1.00 0.00 C ATOM 212 C TYR A 17 1.045 3.778 -12.433 1.00 0.00 C ATOM 213 O TYR A 17 2.230 3.498 -12.602 1.00 0.00 O ATOM 214 CB TYR A 17 0.336 6.033 -13.252 1.00 0.00 C ATOM 215 CG TYR A 17 1.550 6.762 -13.782 1.00 0.00 C ATOM 216 CD1 TYR A 17 2.392 6.167 -14.712 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.854 8.048 -13.351 1.00 0.00 C ATOM 218 CE1 TYR A 17 3.502 6.830 -15.198 1.00 0.00 C ATOM 219 CE2 TYR A 17 2.961 8.719 -13.832 1.00 0.00 C ATOM 220 CZ TYR A 17 3.783 8.106 -14.755 1.00 0.00 C ATOM 221 OH TYR A 17 4.887 8.770 -15.237 1.00 0.00 O ATOM 0 H TYR A 17 2.608 5.613 -11.493 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.285 5.106 -11.414 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.064 5.392 -14.037 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.438 6.762 -13.011 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.175 5.168 -15.061 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.214 8.531 -12.628 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.146 6.352 -15.921 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.182 9.718 -13.487 1.00 0.00 H new ATOM 0 HH TYR A 17 4.625 9.665 -15.539 1.00 0.00 H new ATOM 231 N GLY A 18 0.062 2.898 -12.599 1.00 0.00 N ATOM 232 CA GLY A 18 0.349 1.532 -12.998 1.00 0.00 C ATOM 233 C GLY A 18 -0.812 0.595 -12.733 1.00 0.00 C ATOM 234 O GLY A 18 -1.972 0.970 -12.899 1.00 0.00 O ATOM 0 H GLY A 18 -0.927 3.106 -12.464 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.594 1.511 -14.060 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.228 1.177 -12.461 1.00 0.00 H new ATOM 238 N ARG A 19 -0.500 -0.630 -12.322 1.00 0.00 N ATOM 239 CA ARG A 19 -1.526 -1.625 -12.036 1.00 0.00 C ATOM 240 C ARG A 19 -1.342 -2.212 -10.640 1.00 0.00 C ATOM 241 O ARG A 19 -2.304 -2.634 -10.000 1.00 0.00 O ATOM 242 CB ARG A 19 -1.487 -2.743 -13.080 1.00 0.00 C ATOM 243 CG ARG A 19 -2.705 -3.652 -13.045 1.00 0.00 C ATOM 244 CD ARG A 19 -2.442 -4.964 -13.768 1.00 0.00 C ATOM 245 NE ARG A 19 -2.765 -4.880 -15.189 1.00 0.00 N ATOM 246 CZ ARG A 19 -1.945 -4.367 -16.100 1.00 0.00 C ATOM 247 NH1 ARG A 19 -0.760 -3.896 -15.740 1.00 0.00 N ATOM 248 NH2 ARG A 19 -2.311 -4.326 -17.375 1.00 0.00 N ATOM 0 H ARG A 19 0.456 -0.957 -12.180 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.497 -1.131 -12.078 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.404 -2.299 -14.072 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.591 -3.344 -12.923 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.980 -3.854 -12.010 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.552 -3.145 -13.506 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.394 -5.239 -13.650 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.033 -5.756 -13.308 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.670 -5.234 -15.500 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.475 -3.927 -14.761 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.133 -3.503 -16.442 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.222 -4.688 -17.656 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.681 -3.932 -18.074 1.00 0.00 H new ATOM 262 N GLY A 20 -0.097 -2.234 -10.173 1.00 0.00 N ATOM 263 CA GLY A 20 0.191 -2.771 -8.855 1.00 0.00 C ATOM 264 C GLY A 20 0.027 -1.738 -7.759 1.00 0.00 C ATOM 265 O GLY A 20 0.644 -1.843 -6.698 1.00 0.00 O ATOM 0 H GLY A 20 0.717 -1.890 -10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.471 -3.614 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.211 -3.156 -8.838 1.00 0.00 H new ATOM 269 N LEU A 21 -0.806 -0.735 -8.014 1.00 0.00 N ATOM 270 CA LEU A 21 -1.049 0.324 -7.041 1.00 0.00 C ATOM 271 C LEU A 21 -2.503 0.318 -6.580 1.00 0.00 C ATOM 272 O LEU A 21 -2.800 0.615 -5.423 1.00 0.00 O ATOM 273 CB LEU A 21 -0.699 1.687 -7.642 1.00 0.00 C ATOM 274 CG LEU A 21 0.762 1.886 -8.047 1.00 0.00 C ATOM 275 CD1 LEU A 21 0.907 3.113 -8.934 1.00 0.00 C ATOM 276 CD2 LEU A 21 1.646 2.009 -6.815 1.00 0.00 C ATOM 0 H LEU A 21 -1.324 -0.633 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.412 0.140 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.324 1.845 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.963 2.459 -6.920 1.00 0.00 H new ATOM 0 HG LEU A 21 1.084 1.012 -8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.953 3.239 -9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.305 2.985 -9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.567 3.996 -8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.682 2.150 -7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.325 2.864 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.566 1.101 -6.217 1.00 0.00 H new ATOM 288 N SER A 22 -3.406 -0.026 -7.493 1.00 0.00 N ATOM 289 CA SER A 22 -4.830 -0.071 -7.181 1.00 0.00 C ATOM 290 C SER A 22 -5.285 -1.504 -6.921 1.00 0.00 C ATOM 291 O SER A 22 -5.656 -1.854 -5.802 1.00 0.00 O ATOM 292 CB SER A 22 -5.644 0.535 -8.326 1.00 0.00 C ATOM 293 OG SER A 22 -5.636 1.950 -8.264 1.00 0.00 O ATOM 0 H SER A 22 -3.177 -0.278 -8.455 1.00 0.00 H new ATOM 0 HA SER A 22 -4.997 0.514 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.234 0.207 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.671 0.172 -8.279 1.00 0.00 H new ATOM 0 HG SER A 22 -6.162 2.313 -9.007 1.00 0.00 H new ATOM 299 N GLU A 23 -5.252 -2.327 -7.965 1.00 0.00 N ATOM 300 CA GLU A 23 -5.661 -3.722 -7.850 1.00 0.00 C ATOM 301 C GLU A 23 -4.514 -4.658 -8.219 1.00 0.00 C ATOM 302 O GLU A 23 -3.413 -4.212 -8.538 1.00 0.00 O ATOM 303 CB GLU A 23 -6.869 -3.997 -8.748 1.00 0.00 C ATOM 304 CG GLU A 23 -6.600 -3.747 -10.223 1.00 0.00 C ATOM 305 CD GLU A 23 -7.617 -4.420 -11.123 1.00 0.00 C ATOM 306 OE1 GLU A 23 -8.814 -4.077 -11.029 1.00 0.00 O ATOM 307 OE2 GLU A 23 -7.216 -5.291 -11.924 1.00 0.00 O ATOM 0 H GLU A 23 -4.947 -2.052 -8.899 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.938 -3.909 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.182 -5.033 -8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.700 -3.369 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.606 -2.674 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.603 -4.109 -10.473 1.00 0.00 H new ATOM 314 N GLY A 24 -4.782 -5.959 -8.172 1.00 0.00 N ATOM 315 CA GLY A 24 -3.763 -6.938 -8.504 1.00 0.00 C ATOM 316 C GLY A 24 -4.217 -8.360 -8.239 1.00 0.00 C ATOM 317 O GLY A 24 -5.362 -8.591 -7.850 1.00 0.00 O ATOM 0 H GLY A 24 -5.686 -6.353 -7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.494 -6.836 -9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.864 -6.733 -7.923 1.00 0.00 H new ATOM 321 N ARG A 25 -3.319 -9.316 -8.452 1.00 0.00 N ATOM 322 CA ARG A 25 -3.635 -10.723 -8.237 1.00 0.00 C ATOM 323 C ARG A 25 -2.398 -11.495 -7.786 1.00 0.00 C ATOM 324 O ARG A 25 -1.337 -10.913 -7.559 1.00 0.00 O ATOM 325 CB ARG A 25 -4.198 -11.343 -9.517 1.00 0.00 C ATOM 326 CG ARG A 25 -5.712 -11.263 -9.618 1.00 0.00 C ATOM 327 CD ARG A 25 -6.257 -12.262 -10.627 1.00 0.00 C ATOM 328 NE ARG A 25 -7.509 -11.808 -11.225 1.00 0.00 N ATOM 329 CZ ARG A 25 -8.259 -12.562 -12.022 1.00 0.00 C ATOM 330 NH1 ARG A 25 -7.884 -13.800 -12.314 1.00 0.00 N ATOM 331 NH2 ARG A 25 -9.386 -12.077 -12.528 1.00 0.00 N ATOM 0 H ARG A 25 -2.367 -9.142 -8.773 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.387 -10.785 -7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.758 -10.840 -10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.894 -12.388 -9.568 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.154 -11.454 -8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.006 -10.254 -9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.518 -12.424 -11.412 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.417 -13.222 -10.136 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.825 -10.860 -11.020 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.018 -14.175 -11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.461 -14.377 -12.926 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.677 -11.125 -12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.961 -12.656 -13.140 1.00 0.00 H new ATOM 345 N THR A 26 -2.542 -12.811 -7.658 1.00 0.00 N ATOM 346 CA THR A 26 -1.439 -13.662 -7.233 1.00 0.00 C ATOM 347 C THR A 26 -0.790 -14.357 -8.424 1.00 0.00 C ATOM 348 O THR A 26 -1.451 -14.649 -9.421 1.00 0.00 O ATOM 349 CB THR A 26 -1.908 -14.728 -6.225 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.875 -15.590 -6.837 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.512 -14.077 -4.990 1.00 0.00 C ATOM 0 H THR A 26 -3.412 -13.310 -7.843 1.00 0.00 H new ATOM 0 HA THR A 26 -0.707 -13.013 -6.751 1.00 0.00 H new ATOM 0 HB THR A 26 -1.041 -15.314 -5.920 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.167 -16.266 -6.190 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.836 -14.850 -4.293 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.765 -13.445 -4.510 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.369 -13.469 -5.281 1.00 0.00 H new ATOM 359 N PHE A 27 0.508 -14.620 -8.315 1.00 0.00 N ATOM 360 CA PHE A 27 1.247 -15.280 -9.385 1.00 0.00 C ATOM 361 C PHE A 27 1.244 -14.432 -10.653 1.00 0.00 C ATOM 362 O PHE A 27 1.196 -14.958 -11.764 1.00 0.00 O ATOM 363 CB PHE A 27 0.643 -16.655 -9.677 1.00 0.00 C ATOM 364 CG PHE A 27 1.017 -17.701 -8.665 1.00 0.00 C ATOM 365 CD1 PHE A 27 0.955 -17.425 -7.309 1.00 0.00 C ATOM 366 CD2 PHE A 27 1.430 -18.960 -9.071 1.00 0.00 C ATOM 367 CE1 PHE A 27 1.298 -18.386 -6.375 1.00 0.00 C ATOM 368 CE2 PHE A 27 1.774 -19.924 -8.142 1.00 0.00 C ATOM 369 CZ PHE A 27 1.709 -19.636 -6.793 1.00 0.00 C ATOM 0 H PHE A 27 1.070 -14.386 -7.496 1.00 0.00 H new ATOM 0 HA PHE A 27 2.279 -15.405 -9.056 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.443 -16.566 -9.712 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.968 -16.983 -10.664 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.635 -16.448 -6.977 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.484 -19.190 -10.125 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.244 -18.159 -5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.093 -20.902 -8.471 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.979 -20.388 -6.066 1.00 0.00 H new ATOM 379 N GLU A 28 1.295 -13.115 -10.477 1.00 0.00 N ATOM 380 CA GLU A 28 1.297 -12.193 -11.607 1.00 0.00 C ATOM 381 C GLU A 28 2.229 -11.014 -11.345 1.00 0.00 C ATOM 382 O GLU A 28 2.151 -10.367 -10.302 1.00 0.00 O ATOM 383 CB GLU A 28 -0.120 -11.686 -11.881 1.00 0.00 C ATOM 384 CG GLU A 28 -0.775 -11.028 -10.678 1.00 0.00 C ATOM 385 CD GLU A 28 -1.733 -9.919 -11.069 1.00 0.00 C ATOM 386 OE1 GLU A 28 -2.495 -10.107 -12.041 1.00 0.00 O ATOM 387 OE2 GLU A 28 -1.721 -8.863 -10.402 1.00 0.00 O ATOM 0 H GLU A 28 1.335 -12.663 -9.563 1.00 0.00 H new ATOM 0 HA GLU A 28 1.659 -12.732 -12.483 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.088 -10.971 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.739 -12.521 -12.209 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.313 -11.782 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.002 -10.622 -10.025 1.00 0.00 H new ATOM 394 N MET A 29 3.111 -10.742 -12.302 1.00 0.00 N ATOM 395 CA MET A 29 4.059 -9.640 -12.176 1.00 0.00 C ATOM 396 C MET A 29 3.333 -8.299 -12.153 1.00 0.00 C ATOM 397 O MET A 29 2.853 -7.825 -13.183 1.00 0.00 O ATOM 398 CB MET A 29 5.065 -9.670 -13.328 1.00 0.00 C ATOM 399 CG MET A 29 6.422 -9.091 -12.965 1.00 0.00 C ATOM 400 SD MET A 29 7.555 -10.332 -12.312 1.00 0.00 S ATOM 401 CE MET A 29 8.106 -9.530 -10.808 1.00 0.00 C ATOM 0 H MET A 29 3.189 -11.269 -13.172 1.00 0.00 H new ATOM 0 HA MET A 29 4.594 -9.759 -11.234 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.196 -10.700 -13.659 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.656 -9.114 -14.171 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.864 -8.630 -13.848 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.290 -8.301 -12.226 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.211 -10.273 -10.017 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.068 -9.048 -10.984 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.375 -8.780 -10.506 1.00 0.00 H new ATOM 411 N SER A 30 3.257 -7.691 -10.973 1.00 0.00 N ATOM 412 CA SER A 30 2.587 -6.406 -10.817 1.00 0.00 C ATOM 413 C SER A 30 3.602 -5.281 -10.641 1.00 0.00 C ATOM 414 O SER A 30 4.189 -5.122 -9.570 1.00 0.00 O ATOM 415 CB SER A 30 1.638 -6.445 -9.617 1.00 0.00 C ATOM 416 OG SER A 30 0.513 -7.264 -9.883 1.00 0.00 O ATOM 0 H SER A 30 3.651 -8.068 -10.111 1.00 0.00 H new ATOM 0 HA SER A 30 2.011 -6.212 -11.722 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.168 -6.822 -8.742 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.307 -5.434 -9.378 1.00 0.00 H new ATOM 0 HG SER A 30 -0.077 -7.274 -9.101 1.00 0.00 H new ATOM 422 N ASP A 31 3.803 -4.504 -11.699 1.00 0.00 N ATOM 423 CA ASP A 31 4.747 -3.392 -11.663 1.00 0.00 C ATOM 424 C ASP A 31 4.021 -2.058 -11.808 1.00 0.00 C ATOM 425 O ASP A 31 2.863 -2.012 -12.225 1.00 0.00 O ATOM 426 CB ASP A 31 5.789 -3.543 -12.772 1.00 0.00 C ATOM 427 CG ASP A 31 5.183 -4.033 -14.073 1.00 0.00 C ATOM 428 OD1 ASP A 31 5.033 -5.263 -14.231 1.00 0.00 O ATOM 429 OD2 ASP A 31 4.860 -3.187 -14.933 1.00 0.00 O ATOM 0 H ASP A 31 3.325 -4.623 -12.592 1.00 0.00 H new ATOM 0 HA ASP A 31 5.252 -3.407 -10.697 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.277 -2.583 -12.941 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.561 -4.241 -12.449 1.00 0.00 H new ATOM 434 N PHE A 32 4.708 -0.976 -11.460 1.00 0.00 N ATOM 435 CA PHE A 32 4.128 0.359 -11.550 1.00 0.00 C ATOM 436 C PHE A 32 5.210 1.407 -11.798 1.00 0.00 C ATOM 437 O PHE A 32 6.362 1.230 -11.401 1.00 0.00 O ATOM 438 CB PHE A 32 3.364 0.694 -10.267 1.00 0.00 C ATOM 439 CG PHE A 32 4.209 0.616 -9.028 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.933 1.716 -8.597 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.279 -0.557 -8.294 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.712 1.646 -7.457 1.00 0.00 C ATOM 443 CE2 PHE A 32 5.055 -0.632 -7.153 1.00 0.00 C ATOM 444 CZ PHE A 32 5.772 0.471 -6.734 1.00 0.00 C ATOM 0 H PHE A 32 5.667 -0.997 -11.113 1.00 0.00 H new ATOM 0 HA PHE A 32 3.435 0.370 -12.391 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.950 1.699 -10.352 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.522 0.010 -10.166 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.888 2.638 -9.158 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.721 -1.423 -8.617 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.273 2.510 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.101 -1.552 -6.590 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.379 0.415 -5.842 1.00 0.00 H new ATOM 454 N ILE A 33 4.831 2.496 -12.457 1.00 0.00 N ATOM 455 CA ILE A 33 5.767 3.572 -12.758 1.00 0.00 C ATOM 456 C ILE A 33 5.765 4.626 -11.656 1.00 0.00 C ATOM 457 O ILE A 33 4.747 4.855 -11.003 1.00 0.00 O ATOM 458 CB ILE A 33 5.435 4.248 -14.101 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.939 3.393 -15.266 1.00 0.00 C ATOM 460 CG2 ILE A 33 6.044 5.641 -14.157 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.416 3.075 -15.187 1.00 0.00 C ATOM 0 H ILE A 33 3.881 2.657 -12.793 1.00 0.00 H new ATOM 0 HA ILE A 33 6.757 3.120 -12.824 1.00 0.00 H new ATOM 0 HB ILE A 33 4.352 4.342 -14.186 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.376 2.460 -15.292 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.737 3.914 -16.202 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.801 6.106 -15.112 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.641 6.247 -13.345 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.127 5.569 -14.054 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.704 2.466 -16.044 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.989 4.002 -15.192 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.621 2.527 -14.268 1.00 0.00 H new ATOM 473 N VAL A 34 6.912 5.267 -11.456 1.00 0.00 N ATOM 474 CA VAL A 34 7.043 6.300 -10.436 1.00 0.00 C ATOM 475 C VAL A 34 7.572 7.599 -11.033 1.00 0.00 C ATOM 476 O VAL A 34 8.768 7.736 -11.287 1.00 0.00 O ATOM 477 CB VAL A 34 7.981 5.852 -9.299 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.422 7.046 -8.468 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.300 4.807 -8.428 1.00 0.00 C ATOM 0 H VAL A 34 7.764 5.089 -11.987 1.00 0.00 H new ATOM 0 HA VAL A 34 6.046 6.470 -10.029 1.00 0.00 H new ATOM 0 HB VAL A 34 8.869 5.401 -9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.084 6.709 -7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.952 7.756 -9.103 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.547 7.530 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.977 4.502 -7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.394 5.230 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.041 3.940 -9.035 1.00 0.00 H new ATOM 489 N ASP A 35 6.672 8.551 -11.255 1.00 0.00 N ATOM 490 CA ASP A 35 7.047 9.841 -11.822 1.00 0.00 C ATOM 491 C ASP A 35 7.609 10.765 -10.745 1.00 0.00 C ATOM 492 O ASP A 35 6.894 11.182 -9.834 1.00 0.00 O ATOM 493 CB ASP A 35 5.841 10.497 -12.495 1.00 0.00 C ATOM 494 CG ASP A 35 6.083 11.958 -12.822 1.00 0.00 C ATOM 495 OD1 ASP A 35 7.263 12.366 -12.878 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.094 12.692 -13.023 1.00 0.00 O ATOM 0 H ASP A 35 5.677 8.453 -11.051 1.00 0.00 H new ATOM 0 HA ASP A 35 7.821 9.670 -12.570 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.602 9.957 -13.411 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.973 10.413 -11.841 1.00 0.00 H new ATOM 501 N THR A 36 8.896 11.080 -10.856 1.00 0.00 N ATOM 502 CA THR A 36 9.555 11.952 -9.891 1.00 0.00 C ATOM 503 C THR A 36 10.353 13.045 -10.594 1.00 0.00 C ATOM 504 O THR A 36 11.369 13.512 -10.079 1.00 0.00 O ATOM 505 CB THR A 36 10.497 11.157 -8.968 1.00 0.00 C ATOM 506 OG1 THR A 36 11.212 10.175 -9.725 1.00 0.00 O ATOM 507 CG2 THR A 36 9.715 10.477 -7.854 1.00 0.00 C ATOM 0 H THR A 36 9.502 10.744 -11.604 1.00 0.00 H new ATOM 0 HA THR A 36 8.770 12.409 -9.289 1.00 0.00 H new ATOM 0 HB THR A 36 11.205 11.854 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.810 9.675 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.401 9.921 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.196 11.230 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.987 9.791 -8.287 1.00 0.00 H new ATOM 515 N ARG A 37 9.886 13.449 -11.771 1.00 0.00 N ATOM 516 CA ARG A 37 10.557 14.487 -12.543 1.00 0.00 C ATOM 517 C ARG A 37 10.153 15.875 -12.055 1.00 0.00 C ATOM 518 O ARG A 37 10.996 16.757 -11.895 1.00 0.00 O ATOM 519 CB ARG A 37 10.225 14.341 -14.030 1.00 0.00 C ATOM 520 CG ARG A 37 10.452 12.938 -14.569 1.00 0.00 C ATOM 521 CD ARG A 37 9.877 12.780 -15.968 1.00 0.00 C ATOM 522 NE ARG A 37 8.434 13.003 -15.996 1.00 0.00 N ATOM 523 CZ ARG A 37 7.759 13.317 -17.096 1.00 0.00 C ATOM 524 NH1 ARG A 37 8.394 13.444 -18.253 1.00 0.00 N ATOM 525 NH2 ARG A 37 6.447 13.504 -17.040 1.00 0.00 N ATOM 0 H ARG A 37 9.046 13.073 -12.210 1.00 0.00 H new ATOM 0 HA ARG A 37 11.632 14.371 -12.404 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.183 14.619 -14.190 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.833 15.043 -14.600 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.520 12.722 -14.587 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.991 12.211 -13.900 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.365 13.484 -16.642 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.096 11.779 -16.339 1.00 0.00 H new ATOM 0 HE ARG A 37 7.916 12.913 -15.122 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.403 13.300 -18.300 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.874 13.685 -19.097 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.955 13.407 -16.152 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.930 13.745 -17.885 1.00 0.00 H new ATOM 539 N ASP A 38 8.859 16.060 -11.821 1.00 0.00 N ATOM 540 CA ASP A 38 8.342 17.341 -11.350 1.00 0.00 C ATOM 541 C ASP A 38 8.735 17.583 -9.896 1.00 0.00 C ATOM 542 O ASP A 38 8.838 18.727 -9.453 1.00 0.00 O ATOM 543 CB ASP A 38 6.820 17.386 -11.495 1.00 0.00 C ATOM 544 CG ASP A 38 6.351 16.854 -12.835 1.00 0.00 C ATOM 545 OD1 ASP A 38 7.082 17.029 -13.833 1.00 0.00 O ATOM 546 OD2 ASP A 38 5.253 16.262 -12.886 1.00 0.00 O ATOM 0 H ASP A 38 8.148 15.340 -11.949 1.00 0.00 H new ATOM 0 HA ASP A 38 8.780 18.129 -11.962 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.364 16.802 -10.696 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.477 18.413 -11.375 1.00 0.00 H new ATOM 551 N ALA A 39 8.951 16.499 -9.158 1.00 0.00 N ATOM 552 CA ALA A 39 9.332 16.594 -7.754 1.00 0.00 C ATOM 553 C ALA A 39 10.755 17.122 -7.607 1.00 0.00 C ATOM 554 O ALA A 39 11.012 18.030 -6.817 1.00 0.00 O ATOM 555 CB ALA A 39 9.197 15.238 -7.078 1.00 0.00 C ATOM 0 H ALA A 39 8.869 15.545 -9.509 1.00 0.00 H new ATOM 0 HA ALA A 39 8.659 17.299 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.485 15.324 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.163 14.900 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.847 14.517 -7.575 1.00 0.00 H new ATOM 561 N GLY A 40 11.678 16.546 -8.372 1.00 0.00 N ATOM 562 CA GLY A 40 13.064 16.971 -8.310 1.00 0.00 C ATOM 563 C GLY A 40 13.992 15.860 -7.863 1.00 0.00 C ATOM 564 O GLY A 40 14.205 14.889 -8.589 1.00 0.00 O ATOM 0 H GLY A 40 11.490 15.793 -9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.376 17.327 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.152 17.812 -7.623 1.00 0.00 H new ATOM 568 N TYR A 41 14.547 16.001 -6.664 1.00 0.00 N ATOM 569 CA TYR A 41 15.461 15.003 -6.123 1.00 0.00 C ATOM 570 C TYR A 41 15.003 14.536 -4.744 1.00 0.00 C ATOM 571 O TYR A 41 14.147 15.159 -4.118 1.00 0.00 O ATOM 572 CB TYR A 41 16.878 15.572 -6.036 1.00 0.00 C ATOM 573 CG TYR A 41 17.949 14.513 -5.901 1.00 0.00 C ATOM 574 CD1 TYR A 41 18.205 13.620 -6.935 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.704 14.404 -4.740 1.00 0.00 C ATOM 576 CE1 TYR A 41 19.181 12.651 -6.816 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.684 13.438 -4.613 1.00 0.00 C ATOM 578 CZ TYR A 41 19.918 12.564 -5.654 1.00 0.00 C ATOM 579 OH TYR A 41 20.892 11.600 -5.530 1.00 0.00 O ATOM 0 H TYR A 41 14.380 16.797 -6.049 1.00 0.00 H new ATOM 0 HA TYR A 41 15.462 14.146 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.077 16.166 -6.928 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.937 16.248 -5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.630 13.685 -7.847 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.522 15.086 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.366 11.965 -7.629 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.263 13.368 -3.704 1.00 0.00 H new ATOM 0 HH TYR A 41 21.318 11.676 -4.651 1.00 0.00 H new ATOM 589 N GLY A 42 15.582 13.434 -4.277 1.00 0.00 N ATOM 590 CA GLY A 42 15.222 12.901 -2.976 1.00 0.00 C ATOM 591 C GLY A 42 15.368 11.394 -2.906 1.00 0.00 C ATOM 592 O GLY A 42 15.228 10.702 -3.914 1.00 0.00 O ATOM 0 H GLY A 42 16.294 12.901 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.850 13.360 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.192 13.174 -2.747 1.00 0.00 H new ATOM 596 N GLY A 43 15.652 10.883 -1.712 1.00 0.00 N ATOM 597 CA GLY A 43 15.814 9.451 -1.537 1.00 0.00 C ATOM 598 C GLY A 43 14.488 8.716 -1.518 1.00 0.00 C ATOM 599 O GLY A 43 13.646 8.964 -0.654 1.00 0.00 O ATOM 0 H GLY A 43 15.773 11.435 -0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.433 9.057 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.345 9.260 -0.605 1.00 0.00 H new ATOM 603 N ILE A 44 14.302 7.811 -2.473 1.00 0.00 N ATOM 604 CA ILE A 44 13.069 7.038 -2.562 1.00 0.00 C ATOM 605 C ILE A 44 13.167 5.750 -1.751 1.00 0.00 C ATOM 606 O ILE A 44 14.106 4.971 -1.916 1.00 0.00 O ATOM 607 CB ILE A 44 12.728 6.688 -4.022 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.543 7.964 -4.846 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.476 5.826 -4.082 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.502 7.719 -6.338 1.00 0.00 C ATOM 0 H ILE A 44 14.989 7.595 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 44 12.275 7.662 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 44 13.556 6.121 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.618 8.453 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.357 8.653 -4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.248 5.587 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.642 4.904 -3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.639 6.369 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.369 8.667 -6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.437 7.258 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.671 7.055 -6.575 1.00 0.00 H new ATOM 622 N SER A 45 12.191 5.532 -0.876 1.00 0.00 N ATOM 623 CA SER A 45 12.169 4.339 -0.038 1.00 0.00 C ATOM 624 C SER A 45 10.972 3.457 -0.380 1.00 0.00 C ATOM 625 O SER A 45 9.824 3.818 -0.117 1.00 0.00 O ATOM 626 CB SER A 45 12.123 4.729 1.441 1.00 0.00 C ATOM 627 OG SER A 45 13.228 5.544 1.788 1.00 0.00 O ATOM 0 H SER A 45 11.405 6.166 -0.729 1.00 0.00 H new ATOM 0 HA SER A 45 13.081 3.774 -0.229 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.195 5.260 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.122 3.830 2.057 1.00 0.00 H new ATOM 0 HG SER A 45 13.174 5.781 2.737 1.00 0.00 H new ATOM 633 N LEU A 46 11.248 2.298 -0.969 1.00 0.00 N ATOM 634 CA LEU A 46 10.195 1.363 -1.348 1.00 0.00 C ATOM 635 C LEU A 46 10.194 0.143 -0.433 1.00 0.00 C ATOM 636 O LEU A 46 11.218 -0.519 -0.264 1.00 0.00 O ATOM 637 CB LEU A 46 10.376 0.923 -2.802 1.00 0.00 C ATOM 638 CG LEU A 46 10.266 2.026 -3.856 1.00 0.00 C ATOM 639 CD1 LEU A 46 11.099 1.679 -5.080 1.00 0.00 C ATOM 640 CD2 LEU A 46 8.812 2.251 -4.243 1.00 0.00 C ATOM 0 H LEU A 46 12.192 1.984 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 46 9.237 1.872 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.354 0.452 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.631 0.159 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 46 10.654 2.951 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.009 2.475 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.144 1.570 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.742 0.743 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.753 3.039 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.397 1.329 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.242 2.546 -3.362 1.00 0.00 H new ATOM 652 N ALA A 47 9.039 -0.149 0.155 1.00 0.00 N ATOM 653 CA ALA A 47 8.904 -1.291 1.050 1.00 0.00 C ATOM 654 C ALA A 47 7.506 -1.896 0.961 1.00 0.00 C ATOM 655 O ALA A 47 6.518 -1.256 1.321 1.00 0.00 O ATOM 656 CB ALA A 47 9.213 -0.880 2.482 1.00 0.00 C ATOM 0 H ALA A 47 8.183 0.390 0.027 1.00 0.00 H new ATOM 0 HA ALA A 47 9.621 -2.051 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.108 -1.743 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.234 -0.502 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.519 -0.100 2.794 1.00 0.00 H new ATOM 662 N VAL A 48 7.431 -3.132 0.479 1.00 0.00 N ATOM 663 CA VAL A 48 6.154 -3.824 0.344 1.00 0.00 C ATOM 664 C VAL A 48 5.933 -4.798 1.495 1.00 0.00 C ATOM 665 O VAL A 48 6.655 -5.785 1.633 1.00 0.00 O ATOM 666 CB VAL A 48 6.070 -4.592 -0.988 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.794 -5.417 -1.050 1.00 0.00 C ATOM 668 CG2 VAL A 48 6.150 -3.629 -2.164 1.00 0.00 C ATOM 0 H VAL A 48 8.239 -3.675 0.175 1.00 0.00 H new ATOM 0 HA VAL A 48 5.376 -3.061 0.364 1.00 0.00 H new ATOM 0 HB VAL A 48 6.918 -5.274 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.753 -5.952 -1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.783 -6.133 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.930 -4.758 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.089 -4.189 -3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.323 -2.921 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.095 -3.087 -2.127 1.00 0.00 H new ATOM 678 N GLU A 49 4.928 -4.515 2.318 1.00 0.00 N ATOM 679 CA GLU A 49 4.612 -5.368 3.458 1.00 0.00 C ATOM 680 C GLU A 49 3.283 -6.088 3.247 1.00 0.00 C ATOM 681 O GLU A 49 2.218 -5.473 3.282 1.00 0.00 O ATOM 682 CB GLU A 49 4.556 -4.539 4.743 1.00 0.00 C ATOM 683 CG GLU A 49 5.911 -4.013 5.188 1.00 0.00 C ATOM 684 CD GLU A 49 5.956 -3.699 6.671 1.00 0.00 C ATOM 685 OE1 GLU A 49 5.388 -4.482 7.460 1.00 0.00 O ATOM 686 OE2 GLU A 49 6.560 -2.671 7.041 1.00 0.00 O ATOM 0 H GLU A 49 4.319 -3.703 2.217 1.00 0.00 H new ATOM 0 HA GLU A 49 5.400 -6.115 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.880 -3.697 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.133 -5.149 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.678 -4.751 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.151 -3.113 4.622 1.00 0.00 H new ATOM 693 N GLY A 50 3.355 -7.397 3.026 1.00 0.00 N ATOM 694 CA GLY A 50 2.152 -8.180 2.811 1.00 0.00 C ATOM 695 C GLY A 50 2.149 -9.469 3.608 1.00 0.00 C ATOM 696 O GLY A 50 2.967 -9.670 4.507 1.00 0.00 O ATOM 0 H GLY A 50 4.225 -7.929 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.281 -7.585 3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.058 -8.412 1.750 1.00 0.00 H new ATOM 700 N PRO A 51 1.211 -10.370 3.281 1.00 0.00 N ATOM 701 CA PRO A 51 1.082 -11.661 3.962 1.00 0.00 C ATOM 702 C PRO A 51 2.237 -12.604 3.643 1.00 0.00 C ATOM 703 O PRO A 51 2.465 -13.584 4.351 1.00 0.00 O ATOM 704 CB PRO A 51 -0.233 -12.222 3.414 1.00 0.00 C ATOM 705 CG PRO A 51 -0.398 -11.568 2.085 1.00 0.00 C ATOM 706 CD PRO A 51 0.204 -10.197 2.221 1.00 0.00 C ATOM 0 HA PRO A 51 1.096 -11.552 5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.192 -13.307 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.068 -11.991 4.075 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.104 -12.139 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.450 -11.506 1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.657 -9.863 1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.545 -9.455 2.496 1.00 0.00 H new ATOM 714 N SER A 52 2.963 -12.300 2.572 1.00 0.00 N ATOM 715 CA SER A 52 4.093 -13.123 2.156 1.00 0.00 C ATOM 716 C SER A 52 5.230 -12.255 1.625 1.00 0.00 C ATOM 717 O SER A 52 5.080 -11.044 1.464 1.00 0.00 O ATOM 718 CB SER A 52 3.657 -14.123 1.085 1.00 0.00 C ATOM 719 OG SER A 52 2.919 -13.482 0.059 1.00 0.00 O ATOM 0 H SER A 52 2.789 -11.490 1.977 1.00 0.00 H new ATOM 0 HA SER A 52 4.452 -13.670 3.028 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.534 -14.608 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.050 -14.906 1.539 1.00 0.00 H new ATOM 0 HG SER A 52 3.057 -13.955 -0.788 1.00 0.00 H new ATOM 725 N LYS A 53 6.369 -12.884 1.353 1.00 0.00 N ATOM 726 CA LYS A 53 7.532 -12.172 0.838 1.00 0.00 C ATOM 727 C LYS A 53 7.458 -12.034 -0.679 1.00 0.00 C ATOM 728 O LYS A 53 7.339 -13.026 -1.398 1.00 0.00 O ATOM 729 CB LYS A 53 8.818 -12.903 1.232 1.00 0.00 C ATOM 730 CG LYS A 53 10.056 -12.024 1.185 1.00 0.00 C ATOM 731 CD LYS A 53 11.324 -12.853 1.068 1.00 0.00 C ATOM 732 CE LYS A 53 11.857 -13.252 2.436 1.00 0.00 C ATOM 733 NZ LYS A 53 12.690 -14.485 2.369 1.00 0.00 N ATOM 0 H LYS A 53 6.511 -13.886 1.481 1.00 0.00 H new ATOM 0 HA LYS A 53 7.539 -11.174 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.705 -13.303 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.961 -13.754 0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.987 -11.342 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.103 -11.411 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.122 -13.748 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.084 -12.284 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.450 -12.435 2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.022 -13.414 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.034 -14.724 3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.117 -15.271 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.501 -14.322 1.738 1.00 0.00 H new ATOM 747 N VAL A 54 7.531 -10.797 -1.161 1.00 0.00 N ATOM 748 CA VAL A 54 7.475 -10.529 -2.593 1.00 0.00 C ATOM 749 C VAL A 54 8.731 -9.808 -3.067 1.00 0.00 C ATOM 750 O VAL A 54 9.006 -8.682 -2.653 1.00 0.00 O ATOM 751 CB VAL A 54 6.241 -9.682 -2.957 1.00 0.00 C ATOM 752 CG1 VAL A 54 4.990 -10.546 -2.990 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.078 -8.530 -1.977 1.00 0.00 C ATOM 0 H VAL A 54 7.629 -9.964 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 54 7.404 -11.495 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 54 6.390 -9.264 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.129 -9.930 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.111 -11.332 -3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.833 -10.996 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.201 -7.942 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.951 -8.925 -0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.964 -7.896 -2.010 1.00 0.00 H new ATOM 763 N ASP A 55 9.490 -10.465 -3.937 1.00 0.00 N ATOM 764 CA ASP A 55 10.718 -9.886 -4.470 1.00 0.00 C ATOM 765 C ASP A 55 10.442 -8.538 -5.129 1.00 0.00 C ATOM 766 O ASP A 55 9.419 -8.357 -5.789 1.00 0.00 O ATOM 767 CB ASP A 55 11.361 -10.839 -5.478 1.00 0.00 C ATOM 768 CG ASP A 55 11.886 -12.104 -4.827 1.00 0.00 C ATOM 769 OD1 ASP A 55 12.337 -12.030 -3.665 1.00 0.00 O ATOM 770 OD2 ASP A 55 11.844 -13.168 -5.480 1.00 0.00 O ATOM 0 H ASP A 55 9.277 -11.399 -4.288 1.00 0.00 H new ATOM 0 HA ASP A 55 11.407 -9.730 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.629 -11.104 -6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.180 -10.328 -5.985 1.00 0.00 H new ATOM 775 N ILE A 56 11.361 -7.596 -4.944 1.00 0.00 N ATOM 776 CA ILE A 56 11.216 -6.265 -5.521 1.00 0.00 C ATOM 777 C ILE A 56 12.405 -5.919 -6.411 1.00 0.00 C ATOM 778 O ILE A 56 13.535 -5.809 -5.938 1.00 0.00 O ATOM 779 CB ILE A 56 11.078 -5.189 -4.427 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.881 -5.497 -3.526 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.935 -3.811 -5.055 1.00 0.00 C ATOM 782 CD1 ILE A 56 9.467 -4.334 -2.652 1.00 0.00 C ATOM 0 H ILE A 56 12.213 -7.730 -4.400 1.00 0.00 H new ATOM 0 HA ILE A 56 10.307 -6.279 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 56 11.980 -5.196 -3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.036 -5.793 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.124 -6.349 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.838 -3.061 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.816 -3.593 -5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.048 -3.790 -5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.613 -4.624 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.297 -4.052 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.192 -3.487 -3.280 1.00 0.00 H new ATOM 794 N GLN A 57 12.140 -5.749 -7.702 1.00 0.00 N ATOM 795 CA GLN A 57 13.188 -5.414 -8.659 1.00 0.00 C ATOM 796 C GLN A 57 12.995 -4.004 -9.207 1.00 0.00 C ATOM 797 O GLN A 57 11.943 -3.679 -9.758 1.00 0.00 O ATOM 798 CB GLN A 57 13.200 -6.424 -9.808 1.00 0.00 C ATOM 799 CG GLN A 57 13.855 -7.747 -9.448 1.00 0.00 C ATOM 800 CD GLN A 57 14.325 -8.516 -10.667 1.00 0.00 C ATOM 801 OE1 GLN A 57 15.524 -8.615 -10.929 1.00 0.00 O ATOM 802 NE2 GLN A 57 13.381 -9.067 -11.421 1.00 0.00 N ATOM 0 H GLN A 57 11.209 -5.838 -8.109 1.00 0.00 H new ATOM 0 HA GLN A 57 14.146 -5.454 -8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.175 -6.611 -10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.724 -5.988 -10.658 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.704 -7.561 -8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.147 -8.358 -8.888 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.399 -8.960 -11.167 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.638 -9.597 -12.254 1.00 0.00 H new ATOM 811 N THR A 58 14.018 -3.169 -9.053 1.00 0.00 N ATOM 812 CA THR A 58 13.960 -1.793 -9.530 1.00 0.00 C ATOM 813 C THR A 58 14.934 -1.570 -10.682 1.00 0.00 C ATOM 814 O THR A 58 15.874 -2.342 -10.870 1.00 0.00 O ATOM 815 CB THR A 58 14.279 -0.793 -8.403 1.00 0.00 C ATOM 816 OG1 THR A 58 15.628 -0.970 -7.958 1.00 0.00 O ATOM 817 CG2 THR A 58 13.325 -0.976 -7.232 1.00 0.00 C ATOM 0 H THR A 58 14.897 -3.422 -8.601 1.00 0.00 H new ATOM 0 HA THR A 58 12.942 -1.622 -9.879 1.00 0.00 H new ATOM 0 HB THR A 58 14.157 0.216 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.823 -0.329 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.569 -0.259 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.301 -0.812 -7.568 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.420 -1.989 -6.840 1.00 0.00 H new ATOM 825 N GLU A 59 14.702 -0.510 -11.450 1.00 0.00 N ATOM 826 CA GLU A 59 15.560 -0.187 -12.584 1.00 0.00 C ATOM 827 C GLU A 59 15.481 1.300 -12.919 1.00 0.00 C ATOM 828 O GLU A 59 14.545 1.990 -12.516 1.00 0.00 O ATOM 829 CB GLU A 59 15.163 -1.018 -13.805 1.00 0.00 C ATOM 830 CG GLU A 59 16.082 -0.822 -14.999 1.00 0.00 C ATOM 831 CD GLU A 59 17.505 -1.264 -14.719 1.00 0.00 C ATOM 832 OE1 GLU A 59 18.228 -0.529 -14.014 1.00 0.00 O ATOM 833 OE2 GLU A 59 17.896 -2.346 -15.205 1.00 0.00 O ATOM 0 H GLU A 59 13.928 0.139 -11.308 1.00 0.00 H new ATOM 0 HA GLU A 59 16.587 -0.426 -12.310 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.158 -2.073 -13.530 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.145 -0.759 -14.095 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.692 -1.382 -15.849 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.082 0.230 -15.284 1.00 0.00 H new ATOM 840 N ASP A 60 16.472 1.787 -13.658 1.00 0.00 N ATOM 841 CA ASP A 60 16.516 3.191 -14.049 1.00 0.00 C ATOM 842 C ASP A 60 16.235 3.350 -15.540 1.00 0.00 C ATOM 843 O ASP A 60 17.014 2.896 -16.380 1.00 0.00 O ATOM 844 CB ASP A 60 17.878 3.796 -13.706 1.00 0.00 C ATOM 845 CG ASP A 60 18.265 4.921 -14.645 1.00 0.00 C ATOM 846 OD1 ASP A 60 17.418 5.805 -14.893 1.00 0.00 O ATOM 847 OD2 ASP A 60 19.415 4.919 -15.132 1.00 0.00 O ATOM 0 H ASP A 60 17.256 1.230 -13.998 1.00 0.00 H new ATOM 0 HA ASP A 60 15.742 3.721 -13.494 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.858 4.171 -12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.639 3.016 -13.745 1.00 0.00 H new ATOM 852 N LEU A 61 15.119 3.994 -15.862 1.00 0.00 N ATOM 853 CA LEU A 61 14.735 4.212 -17.252 1.00 0.00 C ATOM 854 C LEU A 61 15.371 5.485 -17.800 1.00 0.00 C ATOM 855 O LEU A 61 16.131 6.159 -17.105 1.00 0.00 O ATOM 856 CB LEU A 61 13.213 4.296 -17.374 1.00 0.00 C ATOM 857 CG LEU A 61 12.436 3.047 -16.955 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.956 3.364 -16.804 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.643 1.927 -17.963 1.00 0.00 C ATOM 0 H LEU A 61 14.464 4.375 -15.179 1.00 0.00 H new ATOM 0 HA LEU A 61 15.095 3.367 -17.839 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.866 5.135 -16.771 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.964 4.524 -18.410 1.00 0.00 H new ATOM 0 HG LEU A 61 12.815 2.714 -15.989 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.420 2.463 -16.506 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.824 4.134 -16.043 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.562 3.723 -17.755 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.083 1.046 -17.649 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.292 2.250 -18.943 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.703 1.681 -18.021 1.00 0.00 H new ATOM 871 N GLU A 62 15.054 5.809 -19.050 1.00 0.00 N ATOM 872 CA GLU A 62 15.595 7.003 -19.690 1.00 0.00 C ATOM 873 C GLU A 62 14.790 8.240 -19.300 1.00 0.00 C ATOM 874 O GLU A 62 15.328 9.345 -19.227 1.00 0.00 O ATOM 875 CB GLU A 62 15.593 6.838 -21.211 1.00 0.00 C ATOM 876 CG GLU A 62 14.200 6.779 -21.815 1.00 0.00 C ATOM 877 CD GLU A 62 13.645 8.152 -22.136 1.00 0.00 C ATOM 878 OE1 GLU A 62 14.340 8.929 -22.823 1.00 0.00 O ATOM 879 OE2 GLU A 62 12.513 8.451 -21.699 1.00 0.00 O ATOM 0 H GLU A 62 14.426 5.262 -19.639 1.00 0.00 H new ATOM 0 HA GLU A 62 16.621 7.135 -19.348 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.139 7.668 -21.659 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.131 5.926 -21.470 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.228 6.181 -22.726 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.528 6.273 -21.121 1.00 0.00 H new ATOM 886 N ASP A 63 13.500 8.045 -19.052 1.00 0.00 N ATOM 887 CA ASP A 63 12.621 9.144 -18.670 1.00 0.00 C ATOM 888 C ASP A 63 13.025 9.717 -17.315 1.00 0.00 C ATOM 889 O ASP A 63 12.710 10.863 -16.996 1.00 0.00 O ATOM 890 CB ASP A 63 11.167 8.670 -18.624 1.00 0.00 C ATOM 891 CG ASP A 63 11.012 7.348 -17.899 1.00 0.00 C ATOM 892 OD1 ASP A 63 11.851 7.050 -17.023 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.052 6.611 -18.207 1.00 0.00 O ATOM 0 H ASP A 63 13.040 7.137 -19.109 1.00 0.00 H new ATOM 0 HA ASP A 63 12.715 9.930 -19.420 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.557 9.426 -18.130 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.788 8.570 -19.641 1.00 0.00 H new ATOM 898 N GLY A 64 13.723 8.911 -16.521 1.00 0.00 N ATOM 899 CA GLY A 64 14.157 9.355 -15.210 1.00 0.00 C ATOM 900 C GLY A 64 13.246 8.867 -14.101 1.00 0.00 C ATOM 901 O GLY A 64 13.209 9.447 -13.016 1.00 0.00 O ATOM 0 H GLY A 64 13.996 7.958 -16.763 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.171 8.999 -15.026 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.194 10.444 -15.193 1.00 0.00 H new ATOM 905 N THR A 65 12.505 7.797 -14.374 1.00 0.00 N ATOM 906 CA THR A 65 11.587 7.233 -13.393 1.00 0.00 C ATOM 907 C THR A 65 12.048 5.853 -12.938 1.00 0.00 C ATOM 908 O THR A 65 13.020 5.309 -13.463 1.00 0.00 O ATOM 909 CB THR A 65 10.158 7.124 -13.958 1.00 0.00 C ATOM 910 OG1 THR A 65 10.144 6.246 -15.089 1.00 0.00 O ATOM 911 CG2 THR A 65 9.632 8.492 -14.365 1.00 0.00 C ATOM 0 H THR A 65 12.523 7.304 -15.267 1.00 0.00 H new ATOM 0 HA THR A 65 11.581 7.911 -12.539 1.00 0.00 H new ATOM 0 HB THR A 65 9.512 6.721 -13.178 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.871 6.488 -15.700 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.622 8.390 -14.761 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.617 9.149 -13.496 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.280 8.918 -15.130 1.00 0.00 H new ATOM 919 N CYS A 66 11.344 5.291 -11.962 1.00 0.00 N ATOM 920 CA CYS A 66 11.682 3.973 -11.437 1.00 0.00 C ATOM 921 C CYS A 66 10.500 3.017 -11.567 1.00 0.00 C ATOM 922 O CYS A 66 9.419 3.273 -11.037 1.00 0.00 O ATOM 923 CB CYS A 66 12.109 4.079 -9.972 1.00 0.00 C ATOM 924 SG CYS A 66 13.881 4.348 -9.737 1.00 0.00 S ATOM 0 H CYS A 66 10.536 5.727 -11.518 1.00 0.00 H new ATOM 0 HA CYS A 66 12.512 3.578 -12.022 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.563 4.898 -9.504 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.819 3.165 -9.453 1.00 0.00 H new ATOM 0 HG CYS A 66 14.143 4.426 -8.466 1.00 0.00 H new ATOM 930 N LYS A 67 10.714 1.914 -12.277 1.00 0.00 N ATOM 931 CA LYS A 67 9.668 0.919 -12.478 1.00 0.00 C ATOM 932 C LYS A 67 9.839 -0.252 -11.516 1.00 0.00 C ATOM 933 O LYS A 67 10.762 -1.055 -11.658 1.00 0.00 O ATOM 934 CB LYS A 67 9.688 0.414 -13.923 1.00 0.00 C ATOM 935 CG LYS A 67 8.507 -0.476 -14.272 1.00 0.00 C ATOM 936 CD LYS A 67 8.508 -0.852 -15.744 1.00 0.00 C ATOM 937 CE LYS A 67 9.582 -1.884 -16.055 1.00 0.00 C ATOM 938 NZ LYS A 67 9.624 -2.220 -17.505 1.00 0.00 N ATOM 0 H LYS A 67 11.603 1.687 -12.723 1.00 0.00 H new ATOM 0 HA LYS A 67 8.707 1.392 -12.278 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.700 1.270 -14.598 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.612 -0.139 -14.093 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.540 -1.380 -13.665 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.578 0.039 -14.028 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.531 -1.248 -16.020 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.673 0.040 -16.348 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.554 -1.502 -15.742 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.394 -2.789 -15.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.368 -2.926 -17.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.705 -2.608 -17.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.829 -1.361 -18.055 1.00 0.00 H new ATOM 952 N VAL A 68 8.943 -0.345 -10.539 1.00 0.00 N ATOM 953 CA VAL A 68 8.993 -1.420 -9.555 1.00 0.00 C ATOM 954 C VAL A 68 8.287 -2.670 -10.070 1.00 0.00 C ATOM 955 O VAL A 68 7.291 -2.581 -10.787 1.00 0.00 O ATOM 956 CB VAL A 68 8.350 -0.993 -8.223 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.379 -2.139 -7.224 1.00 0.00 C ATOM 958 CG2 VAL A 68 9.055 0.233 -7.661 1.00 0.00 C ATOM 0 H VAL A 68 8.173 0.311 -10.408 1.00 0.00 H new ATOM 0 HA VAL A 68 10.046 -1.644 -9.386 1.00 0.00 H new ATOM 0 HB VAL A 68 7.308 -0.732 -8.409 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.920 -1.818 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.826 -2.987 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.412 -2.434 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.588 0.522 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.106 0.001 -7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.977 1.056 -8.372 1.00 0.00 H new ATOM 968 N SER A 69 8.811 -3.834 -9.698 1.00 0.00 N ATOM 969 CA SER A 69 8.232 -5.103 -10.125 1.00 0.00 C ATOM 970 C SER A 69 8.277 -6.127 -8.995 1.00 0.00 C ATOM 971 O SER A 69 9.304 -6.299 -8.338 1.00 0.00 O ATOM 972 CB SER A 69 8.978 -5.642 -11.347 1.00 0.00 C ATOM 973 OG SER A 69 8.846 -4.765 -12.453 1.00 0.00 O ATOM 0 H SER A 69 9.634 -3.925 -9.103 1.00 0.00 H new ATOM 0 HA SER A 69 7.190 -4.928 -10.392 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.033 -5.771 -11.105 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.589 -6.625 -11.610 1.00 0.00 H new ATOM 0 HG SER A 69 9.333 -5.131 -13.221 1.00 0.00 H new ATOM 979 N TYR A 70 7.156 -6.805 -8.775 1.00 0.00 N ATOM 980 CA TYR A 70 7.065 -7.811 -7.724 1.00 0.00 C ATOM 981 C TYR A 70 6.131 -8.945 -8.135 1.00 0.00 C ATOM 982 O TYR A 70 5.200 -8.747 -8.916 1.00 0.00 O ATOM 983 CB TYR A 70 6.572 -7.176 -6.423 1.00 0.00 C ATOM 984 CG TYR A 70 5.096 -6.845 -6.431 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.146 -7.811 -6.126 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.653 -5.566 -6.744 1.00 0.00 C ATOM 987 CE1 TYR A 70 2.797 -7.513 -6.133 1.00 0.00 C ATOM 988 CE2 TYR A 70 3.307 -5.258 -6.753 1.00 0.00 C ATOM 989 CZ TYR A 70 2.382 -6.235 -6.447 1.00 0.00 C ATOM 990 OH TYR A 70 1.040 -5.934 -6.454 1.00 0.00 O ATOM 0 H TYR A 70 6.298 -6.676 -9.311 1.00 0.00 H new ATOM 0 HA TYR A 70 8.061 -8.224 -7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.779 -7.855 -5.596 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.139 -6.264 -6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.467 -8.812 -5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.374 -4.799 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.071 -8.276 -5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.980 -4.258 -6.998 1.00 0.00 H new ATOM 0 HH TYR A 70 0.917 -4.992 -6.694 1.00 0.00 H new ATOM 1000 N PHE A 71 6.386 -10.136 -7.602 1.00 0.00 N ATOM 1001 CA PHE A 71 5.570 -11.303 -7.912 1.00 0.00 C ATOM 1002 C PHE A 71 4.932 -11.873 -6.648 1.00 0.00 C ATOM 1003 O PHE A 71 5.568 -12.582 -5.868 1.00 0.00 O ATOM 1004 CB PHE A 71 6.417 -12.377 -8.598 1.00 0.00 C ATOM 1005 CG PHE A 71 5.616 -13.321 -9.447 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.098 -12.909 -10.665 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.381 -14.621 -9.029 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.360 -13.776 -11.448 1.00 0.00 C ATOM 1009 CE2 PHE A 71 4.644 -15.493 -9.809 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.133 -15.070 -11.020 1.00 0.00 C ATOM 0 H PHE A 71 7.152 -10.317 -6.953 1.00 0.00 H new ATOM 0 HA PHE A 71 4.775 -10.989 -8.589 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.170 -11.892 -9.219 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.950 -12.948 -7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.273 -11.899 -11.006 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.778 -14.957 -8.083 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.961 -13.442 -12.394 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.468 -16.504 -9.471 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.557 -15.749 -11.631 1.00 0.00 H new ATOM 1020 N PRO A 72 3.646 -11.555 -6.440 1.00 0.00 N ATOM 1021 CA PRO A 72 2.894 -12.024 -5.273 1.00 0.00 C ATOM 1022 C PRO A 72 2.617 -13.523 -5.325 1.00 0.00 C ATOM 1023 O PRO A 72 2.375 -14.083 -6.395 1.00 0.00 O ATOM 1024 CB PRO A 72 1.585 -11.235 -5.354 1.00 0.00 C ATOM 1025 CG PRO A 72 1.432 -10.902 -6.798 1.00 0.00 C ATOM 1026 CD PRO A 72 2.827 -10.714 -7.329 1.00 0.00 C ATOM 0 HA PRO A 72 3.444 -11.869 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.743 -11.826 -4.993 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.627 -10.334 -4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.916 -11.701 -7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.839 -9.997 -6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.907 -11.031 -8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.135 -9.669 -7.290 1.00 0.00 H new ATOM 1034 N THR A 73 2.653 -14.168 -4.163 1.00 0.00 N ATOM 1035 CA THR A 73 2.407 -15.602 -4.077 1.00 0.00 C ATOM 1036 C THR A 73 1.211 -15.901 -3.180 1.00 0.00 C ATOM 1037 O THR A 73 0.540 -16.920 -3.344 1.00 0.00 O ATOM 1038 CB THR A 73 3.640 -16.352 -3.538 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.073 -15.761 -2.307 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.776 -16.322 -4.548 1.00 0.00 C ATOM 0 H THR A 73 2.850 -13.720 -3.268 1.00 0.00 H new ATOM 0 HA THR A 73 2.195 -15.948 -5.088 1.00 0.00 H new ATOM 0 HB THR A 73 3.359 -17.390 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.856 -16.244 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.635 -16.858 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.453 -16.798 -5.473 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.055 -15.288 -4.751 1.00 0.00 H new ATOM 1048 N VAL A 74 0.950 -15.007 -2.232 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.167 -15.175 -1.310 1.00 0.00 C ATOM 1050 C VAL A 74 -1.128 -13.994 -1.390 1.00 0.00 C ATOM 1051 O VAL A 74 -0.736 -12.834 -1.267 1.00 0.00 O ATOM 1052 CB VAL A 74 0.323 -15.327 0.143 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -0.858 -15.400 1.099 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.207 -16.557 0.280 1.00 0.00 C ATOM 0 H VAL A 74 1.497 -14.159 -2.082 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.689 -16.085 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 74 0.916 -14.450 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.493 -15.507 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.448 -14.487 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.480 -16.258 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.544 -16.649 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.640 -17.445 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.071 -16.459 -0.377 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.418 -14.295 -1.600 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.463 -13.271 -1.700 1.00 0.00 C ATOM 1066 C PRO A 75 -3.738 -12.591 -0.363 1.00 0.00 C ATOM 1067 O PRO A 75 -3.806 -13.247 0.676 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.690 -14.062 -2.160 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.444 -15.453 -1.687 1.00 0.00 C ATOM 1070 CD PRO A 75 -2.956 -15.656 -1.756 1.00 0.00 C ATOM 0 HA PRO A 75 -3.180 -12.464 -2.376 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.606 -13.655 -1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.800 -14.026 -3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.810 -15.590 -0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.966 -16.176 -2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.604 -16.320 -0.966 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.655 -16.101 -2.704 1.00 0.00 H new ATOM 1078 N GLY A 76 -3.896 -11.271 -0.397 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.162 -10.524 0.818 1.00 0.00 C ATOM 1080 C GLY A 76 -4.063 -9.026 0.611 1.00 0.00 C ATOM 1081 O GLY A 76 -4.398 -8.516 -0.458 1.00 0.00 O ATOM 0 H GLY A 76 -3.844 -10.706 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.159 -10.772 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.455 -10.828 1.590 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.602 -8.318 1.638 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.461 -6.868 1.564 1.00 0.00 C ATOM 1087 C VAL A 77 -1.997 -6.454 1.661 1.00 0.00 C ATOM 1088 O VAL A 77 -1.389 -6.526 2.729 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.256 -6.169 2.682 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -3.961 -4.677 2.694 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.746 -6.426 2.516 1.00 0.00 C ATOM 0 H VAL A 77 -3.320 -8.725 2.530 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.860 -6.559 0.598 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.944 -6.584 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.532 -4.200 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.896 -4.518 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.243 -4.243 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.293 -5.925 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.077 -6.040 1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.938 -7.498 2.562 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.436 -6.019 0.538 1.00 0.00 N ATOM 1102 CA TYR A 78 -0.041 -5.594 0.495 1.00 0.00 C ATOM 1103 C TYR A 78 0.074 -4.085 0.689 1.00 0.00 C ATOM 1104 O TYR A 78 -0.624 -3.309 0.036 1.00 0.00 O ATOM 1105 CB TYR A 78 0.596 -5.998 -0.835 1.00 0.00 C ATOM 1106 CG TYR A 78 0.861 -7.482 -0.952 1.00 0.00 C ATOM 1107 CD1 TYR A 78 -0.108 -8.344 -1.451 1.00 0.00 C ATOM 1108 CD2 TYR A 78 2.081 -8.023 -0.564 1.00 0.00 C ATOM 1109 CE1 TYR A 78 0.129 -9.700 -1.559 1.00 0.00 C ATOM 1110 CE2 TYR A 78 2.327 -9.378 -0.671 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.348 -10.213 -1.169 1.00 0.00 C ATOM 1112 OH TYR A 78 1.590 -11.563 -1.275 1.00 0.00 O ATOM 0 H TYR A 78 -1.925 -5.951 -0.354 1.00 0.00 H new ATOM 0 HA TYR A 78 0.489 -6.089 1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.058 -5.689 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.535 -5.459 -0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.063 -7.946 -1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.850 -7.373 -0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.637 -10.356 -1.947 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.281 -9.782 -0.366 1.00 0.00 H new ATOM 0 HH TYR A 78 2.154 -11.854 -0.528 1.00 0.00 H new ATOM 1122 N ILE A 79 0.961 -3.677 1.591 1.00 0.00 N ATOM 1123 CA ILE A 79 1.170 -2.262 1.870 1.00 0.00 C ATOM 1124 C ILE A 79 2.423 -1.743 1.172 1.00 0.00 C ATOM 1125 O ILE A 79 3.544 -2.075 1.557 1.00 0.00 O ATOM 1126 CB ILE A 79 1.294 -1.999 3.383 1.00 0.00 C ATOM 1127 CG1 ILE A 79 0.042 -2.492 4.112 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.517 -0.517 3.646 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.219 -1.761 3.710 1.00 0.00 C ATOM 0 H ILE A 79 1.546 -4.306 2.141 1.00 0.00 H new ATOM 0 HA ILE A 79 0.297 -1.733 1.487 1.00 0.00 H new ATOM 0 HB ILE A 79 2.154 -2.549 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.087 -3.557 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.190 -2.381 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.603 -0.347 4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.434 -0.194 3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.674 0.053 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.066 -2.163 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.110 -0.699 3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.391 -1.893 2.642 1.00 0.00 H new ATOM 1141 N VAL A 80 2.224 -0.925 0.143 1.00 0.00 N ATOM 1142 CA VAL A 80 3.337 -0.357 -0.608 1.00 0.00 C ATOM 1143 C VAL A 80 3.729 1.011 -0.060 1.00 0.00 C ATOM 1144 O VAL A 80 3.051 2.008 -0.309 1.00 0.00 O ATOM 1145 CB VAL A 80 2.993 -0.220 -2.103 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.119 0.481 -2.848 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.709 -1.585 -2.712 1.00 0.00 C ATOM 0 H VAL A 80 1.302 -0.641 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 80 4.177 -1.043 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 80 2.093 0.388 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.858 0.569 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.270 1.475 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.037 -0.098 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.468 -1.469 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.589 -2.220 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.866 -2.045 -2.196 1.00 0.00 H new ATOM 1157 N SER A 81 4.828 1.050 0.687 1.00 0.00 N ATOM 1158 CA SER A 81 5.309 2.296 1.273 1.00 0.00 C ATOM 1159 C SER A 81 6.166 3.070 0.277 1.00 0.00 C ATOM 1160 O SER A 81 7.326 2.729 0.041 1.00 0.00 O ATOM 1161 CB SER A 81 6.114 2.009 2.542 1.00 0.00 C ATOM 1162 OG SER A 81 5.261 1.838 3.660 1.00 0.00 O ATOM 0 H SER A 81 5.402 0.234 0.901 1.00 0.00 H new ATOM 0 HA SER A 81 4.443 2.906 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.716 1.111 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.806 2.830 2.731 1.00 0.00 H new ATOM 0 HG SER A 81 5.800 1.654 4.458 1.00 0.00 H new ATOM 1168 N THR A 82 5.587 4.115 -0.306 1.00 0.00 N ATOM 1169 CA THR A 82 6.296 4.938 -1.278 1.00 0.00 C ATOM 1170 C THR A 82 6.678 6.287 -0.681 1.00 0.00 C ATOM 1171 O THR A 82 5.823 7.144 -0.457 1.00 0.00 O ATOM 1172 CB THR A 82 5.447 5.171 -2.542 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.735 3.975 -2.881 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.323 5.593 -3.712 1.00 0.00 C ATOM 0 H THR A 82 4.629 4.411 -0.122 1.00 0.00 H new ATOM 0 HA THR A 82 7.201 4.395 -1.552 1.00 0.00 H new ATOM 0 HB THR A 82 4.736 5.971 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.196 4.132 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.701 5.752 -4.593 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.842 6.518 -3.463 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.054 4.812 -3.920 1.00 0.00 H new ATOM 1182 N LYS A 83 7.969 6.471 -0.426 1.00 0.00 N ATOM 1183 CA LYS A 83 8.467 7.718 0.144 1.00 0.00 C ATOM 1184 C LYS A 83 9.421 8.414 -0.821 1.00 0.00 C ATOM 1185 O LYS A 83 10.085 7.765 -1.630 1.00 0.00 O ATOM 1186 CB LYS A 83 9.175 7.448 1.473 1.00 0.00 C ATOM 1187 CG LYS A 83 8.253 7.511 2.678 1.00 0.00 C ATOM 1188 CD LYS A 83 9.027 7.764 3.961 1.00 0.00 C ATOM 1189 CE LYS A 83 9.753 6.513 4.430 1.00 0.00 C ATOM 1190 NZ LYS A 83 8.909 5.691 5.343 1.00 0.00 N ATOM 0 H LYS A 83 8.690 5.772 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 83 7.615 8.374 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.640 6.463 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.977 8.175 1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.518 8.303 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.701 6.575 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.748 8.566 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.343 8.102 4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.042 5.915 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.672 6.797 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.211 4.697 5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.013 6.037 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.913 5.764 5.055 1.00 0.00 H new ATOM 1204 N PHE A 84 9.486 9.738 -0.730 1.00 0.00 N ATOM 1205 CA PHE A 84 10.360 10.523 -1.594 1.00 0.00 C ATOM 1206 C PHE A 84 10.903 11.743 -0.856 1.00 0.00 C ATOM 1207 O PHE A 84 10.184 12.716 -0.630 1.00 0.00 O ATOM 1208 CB PHE A 84 9.606 10.966 -2.850 1.00 0.00 C ATOM 1209 CG PHE A 84 10.370 11.947 -3.692 1.00 0.00 C ATOM 1210 CD1 PHE A 84 11.227 11.507 -4.687 1.00 0.00 C ATOM 1211 CD2 PHE A 84 10.230 13.311 -3.489 1.00 0.00 C ATOM 1212 CE1 PHE A 84 11.931 12.407 -5.465 1.00 0.00 C ATOM 1213 CE2 PHE A 84 10.931 14.216 -4.263 1.00 0.00 C ATOM 1214 CZ PHE A 84 11.783 13.764 -5.251 1.00 0.00 C ATOM 0 H PHE A 84 8.943 10.290 -0.066 1.00 0.00 H new ATOM 0 HA PHE A 84 11.201 9.894 -1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.371 10.088 -3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.657 11.414 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 84 11.347 10.447 -4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.566 13.671 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 84 12.595 12.050 -6.238 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.812 15.276 -4.095 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.333 14.470 -5.856 1.00 0.00 H new ATOM 1224 N ALA A 85 12.177 11.682 -0.482 1.00 0.00 N ATOM 1225 CA ALA A 85 12.817 12.782 0.229 1.00 0.00 C ATOM 1226 C ALA A 85 12.240 12.939 1.631 1.00 0.00 C ATOM 1227 O ALA A 85 11.873 14.040 2.042 1.00 0.00 O ATOM 1228 CB ALA A 85 12.665 14.077 -0.555 1.00 0.00 C ATOM 0 H ALA A 85 12.786 10.883 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 85 13.878 12.551 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.148 14.890 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.132 13.967 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.606 14.304 -0.682 1.00 0.00 H new ATOM 1234 N ASP A 86 12.161 11.832 2.361 1.00 0.00 N ATOM 1235 CA ASP A 86 11.628 11.847 3.718 1.00 0.00 C ATOM 1236 C ASP A 86 10.197 12.378 3.734 1.00 0.00 C ATOM 1237 O ASP A 86 9.826 13.160 4.608 1.00 0.00 O ATOM 1238 CB ASP A 86 12.512 12.702 4.627 1.00 0.00 C ATOM 1239 CG ASP A 86 13.814 12.012 4.985 1.00 0.00 C ATOM 1240 OD1 ASP A 86 13.803 10.773 5.148 1.00 0.00 O ATOM 1241 OD2 ASP A 86 14.842 12.709 5.101 1.00 0.00 O ATOM 0 H ASP A 86 12.459 10.913 2.036 1.00 0.00 H new ATOM 0 HA ASP A 86 11.621 10.823 4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.730 13.648 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.967 12.939 5.541 1.00 0.00 H new ATOM 1246 N GLU A 87 9.401 11.947 2.761 1.00 0.00 N ATOM 1247 CA GLU A 87 8.012 12.380 2.664 1.00 0.00 C ATOM 1248 C GLU A 87 7.185 11.381 1.859 1.00 0.00 C ATOM 1249 O GLU A 87 7.429 11.172 0.670 1.00 0.00 O ATOM 1250 CB GLU A 87 7.931 13.764 2.016 1.00 0.00 C ATOM 1251 CG GLU A 87 8.218 14.904 2.980 1.00 0.00 C ATOM 1252 CD GLU A 87 7.952 16.266 2.368 1.00 0.00 C ATOM 1253 OE1 GLU A 87 6.767 16.607 2.169 1.00 0.00 O ATOM 1254 OE2 GLU A 87 8.929 16.991 2.087 1.00 0.00 O ATOM 0 H GLU A 87 9.694 11.299 2.029 1.00 0.00 H new ATOM 0 HA GLU A 87 7.604 12.434 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.640 13.811 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.936 13.900 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.603 14.784 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.258 14.851 3.301 1.00 0.00 H new ATOM 1261 N HIS A 88 6.207 10.767 2.516 1.00 0.00 N ATOM 1262 CA HIS A 88 5.343 9.790 1.862 1.00 0.00 C ATOM 1263 C HIS A 88 4.481 10.455 0.794 1.00 0.00 C ATOM 1264 O HIS A 88 3.868 11.495 1.036 1.00 0.00 O ATOM 1265 CB HIS A 88 4.453 9.094 2.892 1.00 0.00 C ATOM 1266 CG HIS A 88 5.056 7.845 3.458 1.00 0.00 C ATOM 1267 ND1 HIS A 88 4.755 6.584 2.986 1.00 0.00 N ATOM 1268 CD2 HIS A 88 5.947 7.667 4.460 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.435 5.685 3.675 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.166 6.316 4.576 1.00 0.00 N ATOM 0 H HIS A 88 5.993 10.928 3.500 1.00 0.00 H new ATOM 0 HA HIS A 88 5.978 9.046 1.380 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.243 9.788 3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.498 8.849 2.428 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.109 6.378 2.224 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.402 8.443 5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.399 4.616 3.527 1.00 0.00 H new ATOM 1279 N VAL A 89 4.438 9.849 -0.388 1.00 0.00 N ATOM 1280 CA VAL A 89 3.651 10.382 -1.493 1.00 0.00 C ATOM 1281 C VAL A 89 2.262 10.803 -1.025 1.00 0.00 C ATOM 1282 O VAL A 89 1.744 10.316 -0.020 1.00 0.00 O ATOM 1283 CB VAL A 89 3.507 9.352 -2.629 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.788 9.276 -3.446 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.142 7.987 -2.066 1.00 0.00 C ATOM 0 H VAL A 89 4.940 8.988 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 89 4.185 11.254 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 89 2.702 9.674 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.668 8.543 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.001 10.253 -3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.614 8.977 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.044 7.271 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.924 7.654 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.196 8.056 -1.529 1.00 0.00 H new ATOM 1295 N PRO A 90 1.642 11.730 -1.771 1.00 0.00 N ATOM 1296 CA PRO A 90 0.304 12.237 -1.453 1.00 0.00 C ATOM 1297 C PRO A 90 -0.781 11.189 -1.677 1.00 0.00 C ATOM 1298 O PRO A 90 -1.405 11.145 -2.737 1.00 0.00 O ATOM 1299 CB PRO A 90 0.128 13.407 -2.424 1.00 0.00 C ATOM 1300 CG PRO A 90 1.025 13.087 -3.569 1.00 0.00 C ATOM 1301 CD PRO A 90 2.200 12.355 -2.982 1.00 0.00 C ATOM 0 HA PRO A 90 0.213 12.519 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.909 13.501 -2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.403 14.353 -1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.511 12.472 -4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.346 13.995 -4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.595 11.610 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.018 13.034 -2.743 1.00 0.00 H new ATOM 1309 N GLY A 91 -1.002 10.347 -0.672 1.00 0.00 N ATOM 1310 CA GLY A 91 -2.012 9.312 -0.781 1.00 0.00 C ATOM 1311 C GLY A 91 -1.551 7.988 -0.204 1.00 0.00 C ATOM 1312 O GLY A 91 -2.290 7.004 -0.221 1.00 0.00 O ATOM 0 H GLY A 91 -0.499 10.364 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.916 9.635 -0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.276 9.175 -1.830 1.00 0.00 H new ATOM 1316 N SER A 92 -0.323 7.962 0.305 1.00 0.00 N ATOM 1317 CA SER A 92 0.239 6.748 0.884 1.00 0.00 C ATOM 1318 C SER A 92 -0.244 6.556 2.319 1.00 0.00 C ATOM 1319 O SER A 92 -0.723 7.485 2.969 1.00 0.00 O ATOM 1320 CB SER A 92 1.767 6.802 0.852 1.00 0.00 C ATOM 1321 OG SER A 92 2.275 6.189 -0.321 1.00 0.00 O ATOM 0 H SER A 92 0.301 8.768 0.328 1.00 0.00 H new ATOM 0 HA SER A 92 -0.100 5.901 0.288 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.098 7.839 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.170 6.301 1.732 1.00 0.00 H new ATOM 0 HG SER A 92 1.575 6.164 -1.006 1.00 0.00 H new ATOM 1327 N PRO A 93 -0.117 5.320 2.825 1.00 0.00 N ATOM 1328 CA PRO A 93 0.451 4.206 2.060 1.00 0.00 C ATOM 1329 C PRO A 93 -0.466 3.754 0.928 1.00 0.00 C ATOM 1330 O PRO A 93 -1.594 4.230 0.802 1.00 0.00 O ATOM 1331 CB PRO A 93 0.597 3.097 3.105 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.424 3.416 4.142 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.517 4.916 4.183 1.00 0.00 C ATOM 0 HA PRO A 93 1.388 4.480 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.422 2.115 2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.601 3.083 3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.387 2.972 3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.132 3.016 5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.527 5.250 4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.144 5.339 4.939 1.00 0.00 H new ATOM 1341 N PHE A 94 0.026 2.831 0.108 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.749 2.315 -1.014 1.00 0.00 C ATOM 1343 C PHE A 94 -1.246 0.901 -0.727 1.00 0.00 C ATOM 1344 O PHE A 94 -0.470 -0.055 -0.732 1.00 0.00 O ATOM 1345 CB PHE A 94 0.094 2.322 -2.291 1.00 0.00 C ATOM 1346 CG PHE A 94 0.051 3.629 -3.030 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.262 4.825 -2.364 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.202 3.661 -4.392 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.223 6.029 -3.042 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.241 4.862 -5.076 1.00 0.00 C ATOM 1351 CZ PHE A 94 -0.030 6.047 -4.399 1.00 0.00 C ATOM 0 H PHE A 94 0.957 2.425 0.200 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.613 2.964 -1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.128 2.092 -2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.255 1.528 -2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.459 4.817 -1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.371 2.737 -4.925 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.390 6.954 -2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.436 4.873 -6.138 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.063 6.987 -4.930 1.00 0.00 H new ATOM 1361 N THR A 95 -2.546 0.776 -0.477 1.00 0.00 N ATOM 1362 CA THR A 95 -3.147 -0.520 -0.186 1.00 0.00 C ATOM 1363 C THR A 95 -3.560 -1.234 -1.467 1.00 0.00 C ATOM 1364 O THR A 95 -4.525 -0.844 -2.124 1.00 0.00 O ATOM 1365 CB THR A 95 -4.378 -0.375 0.728 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.045 0.408 1.879 1.00 0.00 O ATOM 1367 CG2 THR A 95 -4.890 -1.739 1.166 1.00 0.00 C ATOM 0 H THR A 95 -3.203 1.557 -0.470 1.00 0.00 H new ATOM 0 HA THR A 95 -2.390 -1.112 0.328 1.00 0.00 H new ATOM 0 HB THR A 95 -5.164 0.127 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.834 0.497 2.454 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.760 -1.611 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.171 -2.321 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.107 -2.263 1.713 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.823 -2.284 -1.818 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.114 -3.055 -3.021 1.00 0.00 C ATOM 1377 C VAL A 96 -3.843 -4.350 -2.680 1.00 0.00 C ATOM 1378 O VAL A 96 -3.316 -5.203 -1.966 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.827 -3.391 -3.797 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.156 -4.157 -5.069 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.050 -2.123 -4.114 1.00 0.00 C ATOM 0 H VAL A 96 -2.020 -2.620 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.755 -2.435 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.200 -4.026 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.235 -4.386 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.667 -5.085 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.803 -3.550 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.144 -2.379 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.667 -1.461 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.782 -1.619 -3.186 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.059 -4.492 -3.197 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.861 -5.684 -2.950 1.00 0.00 C ATOM 1393 C LYS A 97 -5.536 -6.778 -3.962 1.00 0.00 C ATOM 1394 O LYS A 97 -5.898 -6.678 -5.135 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.352 -5.342 -3.014 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.935 -4.914 -1.678 1.00 0.00 C ATOM 1397 CD LYS A 97 -9.433 -4.679 -1.774 1.00 0.00 C ATOM 1398 CE LYS A 97 -9.945 -3.861 -0.597 1.00 0.00 C ATOM 1399 NZ LYS A 97 -10.323 -4.724 0.555 1.00 0.00 N ATOM 0 H LYS A 97 -5.511 -3.796 -3.790 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.621 -6.053 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.502 -4.542 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.900 -6.211 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.733 -5.680 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.443 -4.002 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.662 -4.161 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.952 -5.637 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.176 -3.154 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.809 -3.275 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.667 -4.129 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.074 -5.382 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.493 -5.265 0.871 1.00 0.00 H new ATOM 1413 N ILE A 98 -4.853 -7.820 -3.501 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.482 -8.933 -4.366 1.00 0.00 C ATOM 1415 C ILE A 98 -5.456 -10.096 -4.213 1.00 0.00 C ATOM 1416 O ILE A 98 -5.609 -10.651 -3.125 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.055 -9.429 -4.065 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.039 -8.317 -4.333 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -2.735 -10.659 -4.901 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.110 -7.758 -5.737 1.00 0.00 C ATOM 0 H ILE A 98 -4.545 -7.917 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.520 -8.563 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.996 -9.704 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.201 -7.508 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.035 -8.703 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.723 -10.998 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.444 -11.453 -4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.808 -10.409 -5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.362 -6.974 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.918 -8.554 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.102 -7.342 -5.913 1.00 0.00 H new ATOM 1432 N SER A 99 -6.110 -10.462 -5.311 1.00 0.00 N ATOM 1433 CA SER A 99 -7.071 -11.559 -5.298 1.00 0.00 C ATOM 1434 C SER A 99 -6.388 -12.883 -5.627 1.00 0.00 C ATOM 1435 O SER A 99 -5.657 -12.990 -6.611 1.00 0.00 O ATOM 1436 CB SER A 99 -8.196 -11.291 -6.299 1.00 0.00 C ATOM 1437 OG SER A 99 -8.777 -10.016 -6.083 1.00 0.00 O ATOM 0 H SER A 99 -5.992 -10.015 -6.220 1.00 0.00 H new ATOM 0 HA SER A 99 -7.494 -11.627 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.805 -11.349 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.960 -12.063 -6.207 1.00 0.00 H new ATOM 0 HG SER A 99 -9.492 -9.868 -6.736 1.00 0.00 H new