USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 177:sc= 0 (180deg=-0.0109) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 0.0961 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -93:sc= 0.158 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 21 ASN : amide:sc= -0.642 K(o=-0.64,f=-8.5!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -1:sc= 0.991 USER MOD Single : A 28 HIS : no HD1:sc= -0.73 X(o=-0.73,f=-0.4) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.652 K(o=-0.65,f=-4.3!) USER MOD Single : A 49 SER OG : rot 19:sc= 0.154 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0544 K(o=-0.054,f=-0.84) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= -0.109 (180deg=-0.608) USER MOD Single : A 76 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.4) USER MOD Single : A 78 SER OG : rot 29:sc= 0.539 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.078 -19.520 -13.211 1.00 0.00 N ATOM 2 CA GLY A 1 5.110 -18.890 -14.518 1.00 0.00 C ATOM 3 C GLY A 1 4.554 -17.480 -14.495 1.00 0.00 C ATOM 4 O GLY A 1 3.787 -17.093 -15.377 1.00 0.00 O ATOM 0 H1 GLY A 1 5.421 -20.499 -13.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.688 -18.991 -12.555 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.102 -19.523 -12.851 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.137 -18.866 -14.882 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.536 -19.492 -15.222 1.00 0.00 H new ATOM 8 N SER A 2 4.940 -16.710 -13.483 1.00 0.00 N ATOM 9 CA SER A 2 4.470 -15.336 -13.346 1.00 0.00 C ATOM 10 C SER A 2 5.489 -14.354 -13.916 1.00 0.00 C ATOM 11 O SER A 2 6.691 -14.484 -13.683 1.00 0.00 O ATOM 12 CB SER A 2 4.201 -15.011 -11.875 1.00 0.00 C ATOM 13 OG SER A 2 3.174 -14.043 -11.746 1.00 0.00 O ATOM 0 H SER A 2 5.577 -17.014 -12.746 1.00 0.00 H new ATOM 0 HA SER A 2 3.542 -15.238 -13.909 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.917 -15.920 -11.345 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.114 -14.642 -11.408 1.00 0.00 H new ATOM 0 HG SER A 2 3.020 -13.854 -10.797 1.00 0.00 H new ATOM 19 N SER A 3 5.000 -13.372 -14.666 1.00 0.00 N ATOM 20 CA SER A 3 5.867 -12.369 -15.274 1.00 0.00 C ATOM 21 C SER A 3 5.606 -10.991 -14.675 1.00 0.00 C ATOM 22 O SER A 3 4.554 -10.746 -14.087 1.00 0.00 O ATOM 23 CB SER A 3 5.652 -12.329 -16.788 1.00 0.00 C ATOM 24 OG SER A 3 6.459 -13.292 -17.444 1.00 0.00 O ATOM 0 H SER A 3 4.008 -13.249 -14.867 1.00 0.00 H new ATOM 0 HA SER A 3 6.901 -12.645 -15.068 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.602 -12.515 -17.014 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.888 -11.334 -17.166 1.00 0.00 H new ATOM 0 HG SER A 3 6.302 -13.247 -18.410 1.00 0.00 H new ATOM 30 N GLY A 4 6.574 -10.092 -14.830 1.00 0.00 N ATOM 31 CA GLY A 4 6.432 -8.749 -14.300 1.00 0.00 C ATOM 32 C GLY A 4 6.063 -8.742 -12.830 1.00 0.00 C ATOM 33 O GLY A 4 4.886 -8.661 -12.479 1.00 0.00 O ATOM 0 H GLY A 4 7.454 -10.271 -15.314 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.367 -8.206 -14.439 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.667 -8.217 -14.866 1.00 0.00 H new ATOM 37 N SER A 5 7.071 -8.830 -11.967 1.00 0.00 N ATOM 38 CA SER A 5 6.845 -8.839 -10.527 1.00 0.00 C ATOM 39 C SER A 5 6.699 -7.418 -9.991 1.00 0.00 C ATOM 40 O SER A 5 7.547 -6.560 -10.236 1.00 0.00 O ATOM 41 CB SER A 5 7.998 -9.549 -9.814 1.00 0.00 C ATOM 42 OG SER A 5 9.235 -8.914 -10.086 1.00 0.00 O ATOM 0 H SER A 5 8.051 -8.896 -12.241 1.00 0.00 H new ATOM 0 HA SER A 5 5.918 -9.379 -10.332 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.817 -9.554 -8.739 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.042 -10.590 -10.135 1.00 0.00 H new ATOM 0 HG SER A 5 9.080 -7.967 -10.286 1.00 0.00 H new ATOM 48 N SER A 6 5.617 -7.178 -9.257 1.00 0.00 N ATOM 49 CA SER A 6 5.356 -5.861 -8.689 1.00 0.00 C ATOM 50 C SER A 6 6.340 -5.549 -7.566 1.00 0.00 C ATOM 51 O SER A 6 7.056 -4.549 -7.612 1.00 0.00 O ATOM 52 CB SER A 6 3.922 -5.785 -8.161 1.00 0.00 C ATOM 53 OG SER A 6 3.727 -4.619 -7.379 1.00 0.00 O ATOM 0 H SER A 6 4.907 -7.878 -9.042 1.00 0.00 H new ATOM 0 HA SER A 6 5.485 -5.120 -9.478 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.223 -5.787 -8.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.705 -6.669 -7.562 1.00 0.00 H new ATOM 0 HG SER A 6 2.803 -4.593 -7.055 1.00 0.00 H new ATOM 59 N GLY A 7 6.370 -6.414 -6.556 1.00 0.00 N ATOM 60 CA GLY A 7 7.270 -6.214 -5.435 1.00 0.00 C ATOM 61 C GLY A 7 6.530 -6.022 -4.126 1.00 0.00 C ATOM 62 O GLY A 7 5.441 -6.563 -3.935 1.00 0.00 O ATOM 0 H GLY A 7 5.787 -7.249 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.936 -7.073 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.896 -5.342 -5.626 1.00 0.00 H new ATOM 66 N SER A 8 7.124 -5.251 -3.220 1.00 0.00 N ATOM 67 CA SER A 8 6.517 -4.994 -1.919 1.00 0.00 C ATOM 68 C SER A 8 5.163 -4.309 -2.078 1.00 0.00 C ATOM 69 O SER A 8 4.941 -3.561 -3.029 1.00 0.00 O ATOM 70 CB SER A 8 7.443 -4.128 -1.063 1.00 0.00 C ATOM 71 OG SER A 8 6.970 -4.039 0.270 1.00 0.00 O ATOM 0 H SER A 8 8.024 -4.794 -3.363 1.00 0.00 H new ATOM 0 HA SER A 8 6.364 -5.951 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.448 -4.550 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.514 -3.130 -1.494 1.00 0.00 H new ATOM 0 HG SER A 8 6.408 -3.242 0.365 1.00 0.00 H new ATOM 77 N GLY A 9 4.261 -4.570 -1.137 1.00 0.00 N ATOM 78 CA GLY A 9 2.940 -3.971 -1.189 1.00 0.00 C ATOM 79 C GLY A 9 2.932 -2.539 -0.694 1.00 0.00 C ATOM 80 O GLY A 9 3.280 -2.270 0.456 1.00 0.00 O ATOM 0 H GLY A 9 4.421 -5.185 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.572 -3.999 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.252 -4.564 -0.587 1.00 0.00 H new ATOM 84 N TYR A 10 2.536 -1.616 -1.564 1.00 0.00 N ATOM 85 CA TYR A 10 2.489 -0.202 -1.210 1.00 0.00 C ATOM 86 C TYR A 10 1.256 0.468 -1.808 1.00 0.00 C ATOM 87 O TYR A 10 0.970 0.322 -2.996 1.00 0.00 O ATOM 88 CB TYR A 10 3.754 0.508 -1.694 1.00 0.00 C ATOM 89 CG TYR A 10 4.917 0.393 -0.735 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.701 -0.753 -0.697 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.232 1.430 0.135 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.765 -0.863 0.178 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.294 1.330 1.012 1.00 0.00 C ATOM 94 CZ TYR A 10 7.058 0.181 1.030 1.00 0.00 C ATOM 95 OH TYR A 10 8.116 0.076 1.903 1.00 0.00 O ATOM 0 H TYR A 10 2.243 -1.822 -2.519 1.00 0.00 H new ATOM 0 HA TYR A 10 2.431 -0.127 -0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.047 0.093 -2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.530 1.562 -1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.475 -1.573 -1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.635 2.330 0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.364 -1.762 0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.525 2.146 1.680 1.00 0.00 H new ATOM 0 HH TYR A 10 8.187 0.898 2.432 1.00 0.00 H new ATOM 105 N VAL A 11 0.528 1.205 -0.974 1.00 0.00 N ATOM 106 CA VAL A 11 -0.674 1.900 -1.419 1.00 0.00 C ATOM 107 C VAL A 11 -0.611 3.383 -1.071 1.00 0.00 C ATOM 108 O VAL A 11 -0.083 3.764 -0.026 1.00 0.00 O ATOM 109 CB VAL A 11 -1.940 1.289 -0.790 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.070 -0.178 -1.169 1.00 0.00 C ATOM 111 CG2 VAL A 11 -1.919 1.458 0.722 1.00 0.00 C ATOM 0 H VAL A 11 0.750 1.336 0.013 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.724 1.786 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.810 1.818 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.970 -0.593 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.135 -0.269 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.198 -0.725 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.821 1.020 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.043 0.956 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.878 2.519 0.969 1.00 0.00 H new ATOM 121 N ILE A 12 -1.154 4.215 -1.953 1.00 0.00 N ATOM 122 CA ILE A 12 -1.162 5.657 -1.738 1.00 0.00 C ATOM 123 C ILE A 12 -2.537 6.139 -1.290 1.00 0.00 C ATOM 124 O ILE A 12 -3.547 5.478 -1.532 1.00 0.00 O ATOM 125 CB ILE A 12 -0.753 6.418 -3.012 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.443 7.880 -2.682 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.853 6.328 -4.059 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.240 8.622 -3.810 1.00 0.00 C ATOM 0 H ILE A 12 -1.594 3.916 -2.823 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.435 5.863 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 12 0.148 5.958 -3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.372 8.392 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.191 7.918 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.549 6.871 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.030 5.283 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.769 6.766 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.429 9.652 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.185 8.134 -4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.402 8.616 -4.691 1.00 0.00 H new ATOM 140 N ALA A 13 -2.569 7.296 -0.638 1.00 0.00 N ATOM 141 CA ALA A 13 -3.821 7.870 -0.160 1.00 0.00 C ATOM 142 C ALA A 13 -4.490 8.709 -1.244 1.00 0.00 C ATOM 143 O ALA A 13 -3.954 9.735 -1.667 1.00 0.00 O ATOM 144 CB ALA A 13 -3.576 8.709 1.085 1.00 0.00 C ATOM 0 H ALA A 13 -1.742 7.855 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.494 7.051 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.520 9.131 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.150 8.082 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.882 9.516 0.849 1.00 0.00 H new ATOM 150 N LEU A 14 -5.661 8.268 -1.689 1.00 0.00 N ATOM 151 CA LEU A 14 -6.402 8.979 -2.725 1.00 0.00 C ATOM 152 C LEU A 14 -6.990 10.277 -2.180 1.00 0.00 C ATOM 153 O LEU A 14 -7.101 11.270 -2.899 1.00 0.00 O ATOM 154 CB LEU A 14 -7.519 8.093 -3.279 1.00 0.00 C ATOM 155 CG LEU A 14 -7.071 6.842 -4.034 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.239 5.887 -4.226 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.461 7.219 -5.377 1.00 0.00 C ATOM 0 H LEU A 14 -6.118 7.422 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.709 9.225 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.155 7.784 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.135 8.695 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.309 6.336 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.901 5.002 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.631 5.591 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.024 6.382 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.148 6.316 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.201 7.748 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.597 7.863 -5.216 1.00 0.00 H new ATOM 169 N ARG A 15 -7.364 10.262 -0.904 1.00 0.00 N ATOM 170 CA ARG A 15 -7.940 11.437 -0.263 1.00 0.00 C ATOM 171 C ARG A 15 -7.325 11.660 1.116 1.00 0.00 C ATOM 172 O ARG A 15 -6.542 10.841 1.598 1.00 0.00 O ATOM 173 CB ARG A 15 -9.457 11.285 -0.138 1.00 0.00 C ATOM 174 CG ARG A 15 -9.891 9.929 0.395 1.00 0.00 C ATOM 175 CD ARG A 15 -11.231 10.014 1.108 1.00 0.00 C ATOM 176 NE ARG A 15 -11.208 10.980 2.203 1.00 0.00 N ATOM 177 CZ ARG A 15 -12.245 11.212 3.001 1.00 0.00 C ATOM 178 NH1 ARG A 15 -13.380 10.550 2.827 1.00 0.00 N ATOM 179 NH2 ARG A 15 -12.146 12.107 3.976 1.00 0.00 N ATOM 0 H ARG A 15 -7.278 9.449 -0.295 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.719 12.304 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.839 12.064 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.911 11.444 -1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.960 9.218 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.135 9.548 1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.005 10.295 0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.498 9.031 1.497 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.349 11.506 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.459 9.861 2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.175 10.730 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.274 12.617 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.942 12.285 4.588 1.00 0.00 H new ATOM 193 N SER A 16 -7.684 12.774 1.746 1.00 0.00 N ATOM 194 CA SER A 16 -7.164 13.107 3.067 1.00 0.00 C ATOM 195 C SER A 16 -8.021 12.478 4.162 1.00 0.00 C ATOM 196 O SER A 16 -9.174 12.862 4.361 1.00 0.00 O ATOM 197 CB SER A 16 -7.115 14.625 3.251 1.00 0.00 C ATOM 198 OG SER A 16 -6.344 15.238 2.232 1.00 0.00 O ATOM 0 H SER A 16 -8.333 13.461 1.363 1.00 0.00 H new ATOM 0 HA SER A 16 -6.153 12.706 3.145 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.127 15.029 3.238 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.690 14.863 4.226 1.00 0.00 H new ATOM 0 HG SER A 16 -6.330 16.208 2.371 1.00 0.00 H new ATOM 204 N TYR A 17 -7.448 11.510 4.868 1.00 0.00 N ATOM 205 CA TYR A 17 -8.159 10.825 5.942 1.00 0.00 C ATOM 206 C TYR A 17 -7.687 11.316 7.307 1.00 0.00 C ATOM 207 O TYR A 17 -6.717 10.800 7.863 1.00 0.00 O ATOM 208 CB TYR A 17 -7.956 9.313 5.833 1.00 0.00 C ATOM 209 CG TYR A 17 -9.056 8.506 6.483 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.269 8.300 5.837 1.00 0.00 C ATOM 211 CD2 TYR A 17 -8.884 7.949 7.745 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.277 7.564 6.428 1.00 0.00 C ATOM 213 CE2 TYR A 17 -9.886 7.210 8.342 1.00 0.00 C ATOM 214 CZ TYR A 17 -11.081 7.021 7.680 1.00 0.00 C ATOM 215 OH TYR A 17 -12.083 6.286 8.273 1.00 0.00 O ATOM 0 H TYR A 17 -6.494 11.182 4.717 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.221 11.050 5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.889 9.039 4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.003 9.049 6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.426 8.723 4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.950 8.097 8.268 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.214 7.415 5.912 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.735 6.782 9.322 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.783 5.974 9.152 1.00 0.00 H new ATOM 225 N ILE A 18 -8.381 12.315 7.842 1.00 0.00 N ATOM 226 CA ILE A 18 -8.035 12.875 9.142 1.00 0.00 C ATOM 227 C ILE A 18 -8.876 12.251 10.251 1.00 0.00 C ATOM 228 O ILE A 18 -10.093 12.113 10.120 1.00 0.00 O ATOM 229 CB ILE A 18 -8.227 14.403 9.167 1.00 0.00 C ATOM 230 CG1 ILE A 18 -7.386 15.062 8.071 1.00 0.00 C ATOM 231 CG2 ILE A 18 -7.859 14.961 10.533 1.00 0.00 C ATOM 232 CD1 ILE A 18 -5.896 14.978 8.321 1.00 0.00 C ATOM 0 H ILE A 18 -9.186 12.753 7.395 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.983 12.646 9.313 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.277 14.626 8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.613 14.589 7.116 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.673 16.110 7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.000 16.042 10.535 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.497 14.511 11.294 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.816 14.731 10.751 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.362 15.465 7.505 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.656 15.476 9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.595 13.932 8.378 1.00 0.00 H new ATOM 244 N THR A 19 -8.219 11.875 11.344 1.00 0.00 N ATOM 245 CA THR A 19 -8.906 11.266 12.476 1.00 0.00 C ATOM 246 C THR A 19 -8.701 12.082 13.747 1.00 0.00 C ATOM 247 O THR A 19 -7.755 12.864 13.849 1.00 0.00 O ATOM 248 CB THR A 19 -8.417 9.826 12.720 1.00 0.00 C ATOM 249 OG1 THR A 19 -7.073 9.841 13.213 1.00 0.00 O ATOM 250 CG2 THR A 19 -8.484 9.007 11.440 1.00 0.00 C ATOM 0 H THR A 19 -7.212 11.982 11.469 1.00 0.00 H new ATOM 0 HA THR A 19 -9.967 11.245 12.228 1.00 0.00 H new ATOM 0 HB THR A 19 -9.070 9.366 13.462 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.771 8.922 13.367 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.134 7.994 11.638 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.514 8.972 11.084 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.853 9.467 10.680 1.00 0.00 H new ATOM 258 N ASP A 20 -9.592 11.896 14.715 1.00 0.00 N ATOM 259 CA ASP A 20 -9.507 12.614 15.981 1.00 0.00 C ATOM 260 C ASP A 20 -9.407 11.641 17.152 1.00 0.00 C ATOM 261 O ASP A 20 -9.769 11.973 18.280 1.00 0.00 O ATOM 262 CB ASP A 20 -10.725 13.522 16.159 1.00 0.00 C ATOM 263 CG ASP A 20 -10.701 14.712 15.220 1.00 0.00 C ATOM 264 OD1 ASP A 20 -10.487 14.507 14.007 1.00 0.00 O ATOM 265 OD2 ASP A 20 -10.895 15.850 15.698 1.00 0.00 O ATOM 0 H ASP A 20 -10.382 11.254 14.647 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.606 13.227 15.963 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.633 12.945 15.986 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.763 13.876 17.189 1.00 0.00 H new ATOM 270 N ASN A 21 -8.915 10.438 16.875 1.00 0.00 N ATOM 271 CA ASN A 21 -8.769 9.416 17.905 1.00 0.00 C ATOM 272 C ASN A 21 -7.345 8.869 17.931 1.00 0.00 C ATOM 273 O ASN A 21 -6.668 8.823 16.903 1.00 0.00 O ATOM 274 CB ASN A 21 -9.761 8.277 17.666 1.00 0.00 C ATOM 275 CG ASN A 21 -9.929 7.391 18.886 1.00 0.00 C ATOM 276 OD1 ASN A 21 -9.183 7.507 19.858 1.00 0.00 O ATOM 277 ND2 ASN A 21 -10.913 6.501 18.839 1.00 0.00 N ATOM 0 H ASN A 21 -8.611 10.147 15.946 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.980 9.876 18.871 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.729 8.694 17.387 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.420 7.672 16.825 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.075 5.878 19.630 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.507 6.441 18.012 1.00 0.00 H new ATOM 284 N CYS A 22 -6.897 8.455 19.111 1.00 0.00 N ATOM 285 CA CYS A 22 -5.554 7.910 19.271 1.00 0.00 C ATOM 286 C CYS A 22 -5.544 6.405 19.023 1.00 0.00 C ATOM 287 O CYS A 22 -4.819 5.662 19.684 1.00 0.00 O ATOM 288 CB CYS A 22 -5.022 8.212 20.673 1.00 0.00 C ATOM 289 SG CYS A 22 -4.699 9.965 20.978 1.00 0.00 S ATOM 0 H CYS A 22 -7.444 8.486 19.971 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.906 8.385 18.534 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.742 7.853 21.408 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.100 7.651 20.829 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.255 10.120 22.190 1.00 0.00 H new ATOM 295 N SER A 23 -6.355 5.963 18.068 1.00 0.00 N ATOM 296 CA SER A 23 -6.445 4.545 17.737 1.00 0.00 C ATOM 297 C SER A 23 -6.419 4.338 16.225 1.00 0.00 C ATOM 298 O SER A 23 -5.874 3.351 15.731 1.00 0.00 O ATOM 299 CB SER A 23 -7.722 3.942 18.324 1.00 0.00 C ATOM 300 OG SER A 23 -7.633 3.834 19.735 1.00 0.00 O ATOM 0 H SER A 23 -6.959 6.566 17.510 1.00 0.00 H new ATOM 0 HA SER A 23 -5.582 4.040 18.171 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.577 4.563 18.057 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.895 2.957 17.891 1.00 0.00 H new ATOM 0 HG SER A 23 -8.462 3.447 20.086 1.00 0.00 H new ATOM 306 N LEU A 24 -7.014 5.276 15.496 1.00 0.00 N ATOM 307 CA LEU A 24 -7.061 5.198 14.040 1.00 0.00 C ATOM 308 C LEU A 24 -5.815 5.824 13.421 1.00 0.00 C ATOM 309 O LEU A 24 -4.920 6.285 14.131 1.00 0.00 O ATOM 310 CB LEU A 24 -8.314 5.899 13.512 1.00 0.00 C ATOM 311 CG LEU A 24 -9.649 5.374 14.042 1.00 0.00 C ATOM 312 CD1 LEU A 24 -10.730 6.435 13.907 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.052 4.103 13.308 1.00 0.00 C ATOM 0 H LEU A 24 -7.470 6.099 15.889 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.095 4.146 13.758 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.242 6.960 13.753 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.320 5.819 12.425 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.531 5.137 15.099 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.673 6.044 14.289 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.446 7.319 14.478 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.847 6.704 12.857 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.004 3.744 13.698 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.153 4.314 12.243 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.288 3.340 13.456 1.00 0.00 H new ATOM 325 N LEU A 25 -5.765 5.840 12.094 1.00 0.00 N ATOM 326 CA LEU A 25 -4.630 6.412 11.378 1.00 0.00 C ATOM 327 C LEU A 25 -5.042 7.672 10.622 1.00 0.00 C ATOM 328 O LEU A 25 -6.085 7.703 9.970 1.00 0.00 O ATOM 329 CB LEU A 25 -4.047 5.387 10.404 1.00 0.00 C ATOM 330 CG LEU A 25 -2.898 5.877 9.521 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.744 6.377 10.376 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.432 4.770 8.588 1.00 0.00 C ATOM 0 H LEU A 25 -6.497 5.464 11.492 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.869 6.682 12.110 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.697 4.529 10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.850 5.033 9.757 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.260 6.707 8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.936 6.722 9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.085 7.202 11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.382 5.567 11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.614 5.137 7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.088 3.919 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.260 4.459 7.950 1.00 0.00 H new ATOM 344 N SER A 26 -4.214 8.707 10.713 1.00 0.00 N ATOM 345 CA SER A 26 -4.492 9.970 10.039 1.00 0.00 C ATOM 346 C SER A 26 -3.427 10.273 8.990 1.00 0.00 C ATOM 347 O SER A 26 -2.250 10.436 9.313 1.00 0.00 O ATOM 348 CB SER A 26 -4.561 11.111 11.057 1.00 0.00 C ATOM 349 OG SER A 26 -3.263 11.519 11.454 1.00 0.00 O ATOM 0 H SER A 26 -3.345 8.696 11.247 1.00 0.00 H new ATOM 0 HA SER A 26 -5.455 9.881 9.537 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.095 11.957 10.624 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.128 10.789 11.931 1.00 0.00 H new ATOM 0 HG SER A 26 -2.593 10.967 10.999 1.00 0.00 H new ATOM 355 N PHE A 27 -3.848 10.346 7.732 1.00 0.00 N ATOM 356 CA PHE A 27 -2.932 10.628 6.634 1.00 0.00 C ATOM 357 C PHE A 27 -3.584 11.543 5.602 1.00 0.00 C ATOM 358 O PHE A 27 -4.808 11.666 5.550 1.00 0.00 O ATOM 359 CB PHE A 27 -2.485 9.325 5.967 1.00 0.00 C ATOM 360 CG PHE A 27 -3.618 8.535 5.377 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.317 9.015 4.281 1.00 0.00 C ATOM 362 CD2 PHE A 27 -3.982 7.313 5.917 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.361 8.290 3.737 1.00 0.00 C ATOM 364 CE2 PHE A 27 -5.024 6.583 5.376 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.714 7.072 4.284 1.00 0.00 C ATOM 0 H PHE A 27 -4.819 10.214 7.448 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.059 11.136 7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.766 9.556 5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.967 8.709 6.702 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.043 9.965 3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.446 6.926 6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.900 8.676 2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.298 5.631 5.807 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.528 6.503 3.859 1.00 0.00 H new ATOM 375 N HIS A 28 -2.758 12.184 4.781 1.00 0.00 N ATOM 376 CA HIS A 28 -3.254 13.088 3.749 1.00 0.00 C ATOM 377 C HIS A 28 -3.102 12.467 2.364 1.00 0.00 C ATOM 378 O HIS A 28 -2.455 11.432 2.205 1.00 0.00 O ATOM 379 CB HIS A 28 -2.507 14.421 3.808 1.00 0.00 C ATOM 380 CG HIS A 28 -2.627 15.116 5.129 1.00 0.00 C ATOM 381 ND1 HIS A 28 -2.987 16.442 5.253 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.432 14.662 6.390 1.00 0.00 C ATOM 383 CE1 HIS A 28 -3.008 16.773 6.531 1.00 0.00 C ATOM 384 NE2 HIS A 28 -2.675 15.711 7.242 1.00 0.00 N ATOM 0 H HIS A 28 -1.742 12.094 4.810 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.314 13.265 3.934 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.453 14.247 3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.888 15.077 3.025 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.140 13.661 6.673 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.255 17.747 6.928 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -2.609 15.676 8.259 1.00 0.00 H new ATOM 393 N ARG A 29 -3.703 13.106 1.365 1.00 0.00 N ATOM 394 CA ARG A 29 -3.636 12.615 -0.006 1.00 0.00 C ATOM 395 C ARG A 29 -2.193 12.580 -0.501 1.00 0.00 C ATOM 396 O ARG A 29 -1.391 13.453 -0.171 1.00 0.00 O ATOM 397 CB ARG A 29 -4.481 13.497 -0.927 1.00 0.00 C ATOM 398 CG ARG A 29 -3.946 14.912 -1.076 1.00 0.00 C ATOM 399 CD ARG A 29 -5.013 15.859 -1.600 1.00 0.00 C ATOM 400 NE ARG A 29 -4.434 17.037 -2.239 1.00 0.00 N ATOM 401 CZ ARG A 29 -3.834 17.011 -3.424 1.00 0.00 C ATOM 402 NH1 ARG A 29 -3.737 15.872 -4.095 1.00 0.00 N ATOM 403 NH2 ARG A 29 -3.332 18.125 -3.940 1.00 0.00 N ATOM 0 H ARG A 29 -4.242 13.965 1.480 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.032 11.600 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.535 13.033 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.499 13.542 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.584 15.268 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.094 14.910 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.645 15.333 -2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.655 16.172 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.493 17.929 -1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.123 15.014 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.276 15.854 -5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.406 19.003 -3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.872 18.103 -4.850 1.00 0.00 H new ATOM 417 N GLY A 30 -1.869 11.563 -1.294 1.00 0.00 N ATOM 418 CA GLY A 30 -0.523 11.433 -1.821 1.00 0.00 C ATOM 419 C GLY A 30 0.424 10.776 -0.836 1.00 0.00 C ATOM 420 O GLY A 30 1.432 10.190 -1.230 1.00 0.00 O ATOM 0 H GLY A 30 -2.514 10.827 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.551 10.847 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.142 12.420 -2.084 1.00 0.00 H new ATOM 424 N ASP A 31 0.100 10.875 0.449 1.00 0.00 N ATOM 425 CA ASP A 31 0.930 10.287 1.494 1.00 0.00 C ATOM 426 C ASP A 31 0.930 8.764 1.395 1.00 0.00 C ATOM 427 O ASP A 31 -0.024 8.105 1.811 1.00 0.00 O ATOM 428 CB ASP A 31 0.434 10.721 2.874 1.00 0.00 C ATOM 429 CG ASP A 31 1.483 10.531 3.952 1.00 0.00 C ATOM 430 OD1 ASP A 31 2.217 9.523 3.894 1.00 0.00 O ATOM 431 OD2 ASP A 31 1.569 11.390 4.855 1.00 0.00 O ATOM 0 H ASP A 31 -0.731 11.357 0.792 1.00 0.00 H new ATOM 0 HA ASP A 31 1.951 10.642 1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.140 11.770 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.457 10.149 3.133 1.00 0.00 H new ATOM 436 N LEU A 32 2.004 8.212 0.841 1.00 0.00 N ATOM 437 CA LEU A 32 2.128 6.767 0.687 1.00 0.00 C ATOM 438 C LEU A 32 2.070 6.068 2.041 1.00 0.00 C ATOM 439 O LEU A 32 2.836 6.390 2.950 1.00 0.00 O ATOM 440 CB LEU A 32 3.437 6.421 -0.023 1.00 0.00 C ATOM 441 CG LEU A 32 3.810 4.938 -0.058 1.00 0.00 C ATOM 442 CD1 LEU A 32 4.730 4.646 -1.234 1.00 0.00 C ATOM 443 CD2 LEU A 32 4.466 4.522 1.251 1.00 0.00 C ATOM 0 H LEU A 32 2.801 8.743 0.491 1.00 0.00 H new ATOM 0 HA LEU A 32 1.291 6.418 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.378 6.784 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.246 6.967 0.462 1.00 0.00 H new ATOM 0 HG LEU A 32 2.897 4.356 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.985 3.586 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.225 4.905 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.641 5.237 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.725 3.464 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.370 5.110 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.774 4.693 2.075 1.00 0.00 H new ATOM 455 N ILE A 33 1.159 5.108 2.167 1.00 0.00 N ATOM 456 CA ILE A 33 1.004 4.362 3.410 1.00 0.00 C ATOM 457 C ILE A 33 1.694 3.004 3.324 1.00 0.00 C ATOM 458 O ILE A 33 1.545 2.280 2.340 1.00 0.00 O ATOM 459 CB ILE A 33 -0.481 4.149 3.757 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.257 5.458 3.598 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.622 3.612 5.174 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.705 5.259 3.209 1.00 0.00 C ATOM 0 H ILE A 33 0.518 4.829 1.424 1.00 0.00 H new ATOM 0 HA ILE A 33 1.471 4.956 4.196 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.898 3.415 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.214 6.012 4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.767 6.072 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.677 3.467 5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.098 2.660 5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.192 4.325 5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.193 6.229 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.757 4.732 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.210 4.672 3.976 1.00 0.00 H new ATOM 474 N LYS A 34 2.449 2.664 4.364 1.00 0.00 N ATOM 475 CA LYS A 34 3.160 1.392 4.410 1.00 0.00 C ATOM 476 C LYS A 34 2.293 0.306 5.038 1.00 0.00 C ATOM 477 O LYS A 34 1.729 0.495 6.117 1.00 0.00 O ATOM 478 CB LYS A 34 4.462 1.541 5.200 1.00 0.00 C ATOM 479 CG LYS A 34 5.348 0.308 5.149 1.00 0.00 C ATOM 480 CD LYS A 34 6.802 0.655 5.426 1.00 0.00 C ATOM 481 CE LYS A 34 7.639 -0.595 5.652 1.00 0.00 C ATOM 482 NZ LYS A 34 9.081 -0.356 5.363 1.00 0.00 N ATOM 0 H LYS A 34 2.584 3.252 5.186 1.00 0.00 H new ATOM 0 HA LYS A 34 3.394 1.098 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.018 2.394 4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.223 1.764 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.001 -0.421 5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.265 -0.161 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.209 1.220 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.863 1.299 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.525 -0.927 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.269 -1.400 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.618 -1.231 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.193 -0.064 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.440 0.394 5.987 1.00 0.00 H new ATOM 496 N LEU A 35 2.192 -0.831 4.359 1.00 0.00 N ATOM 497 CA LEU A 35 1.394 -1.948 4.851 1.00 0.00 C ATOM 498 C LEU A 35 2.208 -2.820 5.804 1.00 0.00 C ATOM 499 O LEU A 35 2.953 -3.701 5.373 1.00 0.00 O ATOM 500 CB LEU A 35 0.884 -2.791 3.682 1.00 0.00 C ATOM 501 CG LEU A 35 -0.160 -2.128 2.782 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.556 -3.060 1.647 1.00 0.00 C ATOM 503 CD2 LEU A 35 -1.382 -1.722 3.592 1.00 0.00 C ATOM 0 H LEU A 35 2.653 -1.004 3.466 1.00 0.00 H new ATOM 0 HA LEU A 35 0.542 -1.541 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.737 -3.076 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.458 -3.711 4.082 1.00 0.00 H new ATOM 0 HG LEU A 35 0.280 -1.229 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.299 -2.571 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.324 -3.300 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.976 -3.977 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.114 -1.252 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.823 -2.606 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.086 -1.017 4.369 1.00 0.00 H new ATOM 515 N LEU A 36 2.058 -2.569 7.100 1.00 0.00 N ATOM 516 CA LEU A 36 2.777 -3.332 8.114 1.00 0.00 C ATOM 517 C LEU A 36 2.317 -4.786 8.130 1.00 0.00 C ATOM 518 O LEU A 36 1.183 -5.108 7.773 1.00 0.00 O ATOM 519 CB LEU A 36 2.570 -2.705 9.494 1.00 0.00 C ATOM 520 CG LEU A 36 3.072 -1.270 9.661 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.620 -0.699 10.996 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.588 -1.218 9.542 1.00 0.00 C ATOM 0 H LEU A 36 1.446 -1.844 7.473 1.00 0.00 H new ATOM 0 HA LEU A 36 3.838 -3.309 7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.505 -2.725 9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.068 -3.331 10.234 1.00 0.00 H new ATOM 0 HG LEU A 36 2.644 -0.661 8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.986 0.323 11.098 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.531 -0.700 11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.018 -1.309 11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.927 -0.189 9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.035 -1.841 10.316 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.889 -1.586 8.561 1.00 0.00 H new ATOM 534 N PRO A 37 3.215 -5.687 8.555 1.00 0.00 N ATOM 535 CA PRO A 37 2.923 -7.122 8.630 1.00 0.00 C ATOM 536 C PRO A 37 1.923 -7.453 9.733 1.00 0.00 C ATOM 537 O PRO A 37 2.202 -7.258 10.916 1.00 0.00 O ATOM 538 CB PRO A 37 4.286 -7.746 8.939 1.00 0.00 C ATOM 539 CG PRO A 37 5.054 -6.662 9.614 1.00 0.00 C ATOM 540 CD PRO A 37 4.585 -5.375 8.995 1.00 0.00 C ATOM 0 HA PRO A 37 2.467 -7.494 7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.185 -8.620 9.583 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.785 -8.077 8.029 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.873 -6.667 10.689 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.126 -6.796 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.599 -4.555 9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.218 -5.077 8.159 1.00 0.00 H new ATOM 548 N VAL A 38 0.758 -7.955 9.337 1.00 0.00 N ATOM 549 CA VAL A 38 -0.283 -8.315 10.293 1.00 0.00 C ATOM 550 C VAL A 38 -0.831 -9.710 10.010 1.00 0.00 C ATOM 551 O VAL A 38 -0.844 -10.162 8.866 1.00 0.00 O ATOM 552 CB VAL A 38 -1.445 -7.304 10.265 1.00 0.00 C ATOM 553 CG1 VAL A 38 -2.019 -7.189 8.861 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.524 -7.705 11.259 1.00 0.00 C ATOM 0 H VAL A 38 0.511 -8.122 8.361 1.00 0.00 H new ATOM 0 HA VAL A 38 0.177 -8.302 11.281 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.060 -6.327 10.556 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.839 -6.470 8.861 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.241 -6.852 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.389 -8.162 8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.337 -6.980 11.226 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.908 -8.692 11.001 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.102 -7.731 12.264 1.00 0.00 H new ATOM 564 N ALA A 39 -1.282 -10.386 11.061 1.00 0.00 N ATOM 565 CA ALA A 39 -1.834 -11.729 10.925 1.00 0.00 C ATOM 566 C ALA A 39 -3.336 -11.682 10.668 1.00 0.00 C ATOM 567 O ALA A 39 -3.830 -12.267 9.703 1.00 0.00 O ATOM 568 CB ALA A 39 -1.535 -12.550 12.171 1.00 0.00 C ATOM 0 H ALA A 39 -1.276 -10.027 12.016 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.360 -12.205 10.066 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.953 -13.550 12.056 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.456 -12.621 12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.982 -12.068 13.040 1.00 0.00 H new ATOM 574 N THR A 40 -4.059 -10.982 11.536 1.00 0.00 N ATOM 575 CA THR A 40 -5.506 -10.860 11.404 1.00 0.00 C ATOM 576 C THR A 40 -5.922 -9.403 11.241 1.00 0.00 C ATOM 577 O THR A 40 -5.372 -8.513 11.891 1.00 0.00 O ATOM 578 CB THR A 40 -6.233 -11.458 12.623 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.649 -11.438 12.407 1.00 0.00 O ATOM 580 CG2 THR A 40 -5.898 -10.681 13.887 1.00 0.00 C ATOM 0 H THR A 40 -3.666 -10.490 12.339 1.00 0.00 H new ATOM 0 HA THR A 40 -5.791 -11.417 10.512 1.00 0.00 H new ATOM 0 HB THR A 40 -5.899 -12.488 12.749 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.104 -11.821 13.186 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.423 -11.122 14.735 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.823 -10.721 14.065 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.207 -9.643 13.769 1.00 0.00 H new ATOM 588 N LEU A 41 -6.897 -9.165 10.371 1.00 0.00 N ATOM 589 CA LEU A 41 -7.389 -7.814 10.124 1.00 0.00 C ATOM 590 C LEU A 41 -8.913 -7.773 10.165 1.00 0.00 C ATOM 591 O LEU A 41 -9.567 -8.806 10.303 1.00 0.00 O ATOM 592 CB LEU A 41 -6.891 -7.309 8.769 1.00 0.00 C ATOM 593 CG LEU A 41 -5.544 -6.584 8.777 1.00 0.00 C ATOM 594 CD1 LEU A 41 -5.019 -6.419 7.359 1.00 0.00 C ATOM 595 CD2 LEU A 41 -5.671 -5.231 9.461 1.00 0.00 C ATOM 0 H LEU A 41 -7.363 -9.890 9.825 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.005 -7.165 10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.819 -8.159 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.642 -6.635 8.357 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.831 -7.187 9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.060 -5.901 7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.890 -7.400 6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.730 -5.837 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.703 -4.729 9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.398 -4.620 8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.002 -5.373 10.490 1.00 0.00 H new ATOM 607 N GLU A 42 -9.472 -6.573 10.042 1.00 0.00 N ATOM 608 CA GLU A 42 -10.919 -6.399 10.064 1.00 0.00 C ATOM 609 C GLU A 42 -11.483 -6.352 8.647 1.00 0.00 C ATOM 610 O GLU A 42 -10.769 -6.104 7.676 1.00 0.00 O ATOM 611 CB GLU A 42 -11.290 -5.118 10.815 1.00 0.00 C ATOM 612 CG GLU A 42 -11.477 -5.321 12.309 1.00 0.00 C ATOM 613 CD GLU A 42 -10.188 -5.699 13.013 1.00 0.00 C ATOM 614 OE1 GLU A 42 -9.866 -6.905 13.052 1.00 0.00 O ATOM 615 OE2 GLU A 42 -9.502 -4.789 13.524 1.00 0.00 O ATOM 0 H GLU A 42 -8.945 -5.708 9.926 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.354 -7.254 10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.511 -4.373 10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.210 -4.714 10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.872 -4.406 12.749 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.220 -6.101 12.476 1.00 0.00 H new ATOM 622 N PRO A 43 -12.796 -6.596 8.525 1.00 0.00 N ATOM 623 CA PRO A 43 -13.486 -6.588 7.232 1.00 0.00 C ATOM 624 C PRO A 43 -13.592 -5.187 6.640 1.00 0.00 C ATOM 625 O PRO A 43 -14.492 -4.422 6.988 1.00 0.00 O ATOM 626 CB PRO A 43 -14.877 -7.133 7.568 1.00 0.00 C ATOM 627 CG PRO A 43 -15.071 -6.812 9.010 1.00 0.00 C ATOM 628 CD PRO A 43 -13.709 -6.899 9.641 1.00 0.00 C ATOM 0 HA PRO A 43 -12.953 -7.174 6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.645 -6.666 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.935 -8.207 7.390 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.496 -5.816 9.134 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.763 -7.514 9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.598 -6.185 10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.521 -7.889 10.057 1.00 0.00 H new ATOM 636 N GLY A 44 -12.668 -4.856 5.744 1.00 0.00 N ATOM 637 CA GLY A 44 -12.676 -3.546 5.119 1.00 0.00 C ATOM 638 C GLY A 44 -11.771 -2.559 5.829 1.00 0.00 C ATOM 639 O GLY A 44 -12.015 -1.352 5.800 1.00 0.00 O ATOM 0 H GLY A 44 -11.914 -5.471 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.361 -3.641 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.695 -3.158 5.109 1.00 0.00 H new ATOM 643 N TRP A 45 -10.726 -3.071 6.469 1.00 0.00 N ATOM 644 CA TRP A 45 -9.783 -2.225 7.191 1.00 0.00 C ATOM 645 C TRP A 45 -8.345 -2.605 6.857 1.00 0.00 C ATOM 646 O TRP A 45 -8.066 -3.744 6.483 1.00 0.00 O ATOM 647 CB TRP A 45 -10.017 -2.337 8.698 1.00 0.00 C ATOM 648 CG TRP A 45 -11.268 -1.653 9.158 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.521 -2.193 9.225 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.387 -0.300 9.613 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.412 -1.258 9.694 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.741 -0.089 9.940 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.482 0.751 9.778 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -13.209 1.131 10.421 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -10.948 1.962 10.255 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.301 2.144 10.572 1.00 0.00 C ATOM 0 H TRP A 45 -10.510 -4.067 6.503 1.00 0.00 H new ATOM 0 HA TRP A 45 -9.947 -1.193 6.881 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -10.065 -3.391 8.973 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.163 -1.909 9.224 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.774 -3.206 8.950 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.411 -1.410 9.836 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.437 0.620 9.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.251 1.273 10.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.257 2.782 10.386 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.634 3.102 10.943 1.00 0.00 H new ATOM 667 N GLN A 46 -7.436 -1.645 6.996 1.00 0.00 N ATOM 668 CA GLN A 46 -6.026 -1.881 6.708 1.00 0.00 C ATOM 669 C GLN A 46 -5.148 -1.399 7.858 1.00 0.00 C ATOM 670 O GLN A 46 -5.444 -0.391 8.499 1.00 0.00 O ATOM 671 CB GLN A 46 -5.623 -1.176 5.412 1.00 0.00 C ATOM 672 CG GLN A 46 -6.049 -1.919 4.157 1.00 0.00 C ATOM 673 CD GLN A 46 -5.175 -3.124 3.867 1.00 0.00 C ATOM 674 OE1 GLN A 46 -4.886 -3.924 4.757 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.748 -3.259 2.617 1.00 0.00 N ATOM 0 H GLN A 46 -7.651 -0.697 7.306 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.880 -2.955 6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.061 -0.178 5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.541 -1.049 5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.084 -2.243 4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.015 -1.238 3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.012 -2.572 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.156 -4.050 2.363 1.00 0.00 H new ATOM 684 N PHE A 47 -4.065 -2.126 8.114 1.00 0.00 N ATOM 685 CA PHE A 47 -3.144 -1.774 9.188 1.00 0.00 C ATOM 686 C PHE A 47 -1.775 -1.399 8.628 1.00 0.00 C ATOM 687 O PHE A 47 -1.098 -2.220 8.011 1.00 0.00 O ATOM 688 CB PHE A 47 -3.004 -2.937 10.172 1.00 0.00 C ATOM 689 CG PHE A 47 -2.037 -2.666 11.288 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.278 -1.650 12.199 1.00 0.00 C ATOM 691 CD2 PHE A 47 -0.887 -3.426 11.427 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.389 -1.397 13.227 1.00 0.00 C ATOM 693 CE2 PHE A 47 0.005 -3.179 12.453 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.247 -2.164 13.355 1.00 0.00 C ATOM 0 H PHE A 47 -3.804 -2.963 7.592 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.552 -0.911 9.714 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.982 -3.163 10.597 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.680 -3.825 9.629 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.170 -1.049 12.105 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.685 -4.221 10.725 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.587 -0.601 13.929 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.898 -3.779 12.549 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.447 -1.970 14.159 1.00 0.00 H new ATOM 704 N GLY A 48 -1.373 -0.150 8.849 1.00 0.00 N ATOM 705 CA GLY A 48 -0.088 0.313 8.360 1.00 0.00 C ATOM 706 C GLY A 48 0.391 1.559 9.079 1.00 0.00 C ATOM 707 O GLY A 48 -0.185 1.960 10.090 1.00 0.00 O ATOM 0 H GLY A 48 -1.915 0.548 9.358 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.651 -0.479 8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.162 0.519 7.292 1.00 0.00 H new ATOM 711 N SER A 49 1.449 2.171 8.558 1.00 0.00 N ATOM 712 CA SER A 49 2.009 3.376 9.159 1.00 0.00 C ATOM 713 C SER A 49 2.207 4.465 8.110 1.00 0.00 C ATOM 714 O SER A 49 2.740 4.213 7.030 1.00 0.00 O ATOM 715 CB SER A 49 3.341 3.059 9.841 1.00 0.00 C ATOM 716 OG SER A 49 4.335 2.727 8.887 1.00 0.00 O ATOM 0 H SER A 49 1.936 1.852 7.720 1.00 0.00 H new ATOM 0 HA SER A 49 1.304 3.741 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.667 3.918 10.427 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.209 2.231 10.537 1.00 0.00 H new ATOM 0 HG SER A 49 4.066 3.058 8.005 1.00 0.00 H new ATOM 722 N ALA A 50 1.775 5.679 8.437 1.00 0.00 N ATOM 723 CA ALA A 50 1.906 6.808 7.525 1.00 0.00 C ATOM 724 C ALA A 50 2.249 8.087 8.281 1.00 0.00 C ATOM 725 O ALA A 50 1.618 8.414 9.286 1.00 0.00 O ATOM 726 CB ALA A 50 0.625 6.993 6.725 1.00 0.00 C ATOM 0 H ALA A 50 1.331 5.905 9.327 1.00 0.00 H new ATOM 0 HA ALA A 50 2.723 6.593 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.738 7.840 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.423 6.091 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.205 7.181 7.406 1.00 0.00 H new ATOM 732 N GLY A 51 3.253 8.808 7.791 1.00 0.00 N ATOM 733 CA GLY A 51 3.662 10.043 8.434 1.00 0.00 C ATOM 734 C GLY A 51 4.222 9.816 9.824 1.00 0.00 C ATOM 735 O GLY A 51 4.017 10.628 10.724 1.00 0.00 O ATOM 0 H GLY A 51 3.790 8.559 6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.414 10.537 7.819 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.808 10.717 8.496 1.00 0.00 H new ATOM 739 N GLY A 52 4.931 8.705 10.000 1.00 0.00 N ATOM 740 CA GLY A 52 5.510 8.391 11.293 1.00 0.00 C ATOM 741 C GLY A 52 4.464 7.990 12.314 1.00 0.00 C ATOM 742 O GLY A 52 4.760 7.877 13.504 1.00 0.00 O ATOM 0 H GLY A 52 5.115 8.017 9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.230 7.581 11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.060 9.257 11.661 1.00 0.00 H new ATOM 746 N ARG A 53 3.238 7.775 11.850 1.00 0.00 N ATOM 747 CA ARG A 53 2.144 7.387 12.732 1.00 0.00 C ATOM 748 C ARG A 53 1.554 6.045 12.308 1.00 0.00 C ATOM 749 O ARG A 53 1.571 5.692 11.129 1.00 0.00 O ATOM 750 CB ARG A 53 1.052 8.459 12.729 1.00 0.00 C ATOM 751 CG ARG A 53 1.497 9.783 13.329 1.00 0.00 C ATOM 752 CD ARG A 53 0.310 10.607 13.802 1.00 0.00 C ATOM 753 NE ARG A 53 0.687 11.986 14.104 1.00 0.00 N ATOM 754 CZ ARG A 53 1.367 12.341 15.189 1.00 0.00 C ATOM 755 NH1 ARG A 53 1.744 11.424 16.069 1.00 0.00 N ATOM 756 NH2 ARG A 53 1.672 13.616 15.394 1.00 0.00 N ATOM 0 H ARG A 53 2.977 7.863 10.868 1.00 0.00 H new ATOM 0 HA ARG A 53 2.543 7.287 13.741 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.722 8.627 11.704 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.190 8.089 13.285 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.169 9.597 14.167 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.061 10.348 12.587 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.464 10.602 13.034 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.120 10.146 14.691 1.00 0.00 H new ATOM 0 HE ARG A 53 0.413 12.716 13.446 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.512 10.443 15.914 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.266 11.700 16.901 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.384 14.324 14.719 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.194 13.888 16.227 1.00 0.00 H new ATOM 770 N SER A 54 1.033 5.301 13.279 1.00 0.00 N ATOM 771 CA SER A 54 0.442 3.996 13.008 1.00 0.00 C ATOM 772 C SER A 54 -1.018 3.958 13.449 1.00 0.00 C ATOM 773 O SER A 54 -1.378 4.505 14.490 1.00 0.00 O ATOM 774 CB SER A 54 1.231 2.897 13.722 1.00 0.00 C ATOM 775 OG SER A 54 1.031 2.954 15.124 1.00 0.00 O ATOM 0 H SER A 54 1.008 5.580 14.260 1.00 0.00 H new ATOM 0 HA SER A 54 0.483 3.823 11.933 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.922 1.921 13.347 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.293 3.003 13.498 1.00 0.00 H new ATOM 0 HG SER A 54 1.544 2.240 15.557 1.00 0.00 H new ATOM 781 N GLY A 55 -1.856 3.307 12.647 1.00 0.00 N ATOM 782 CA GLY A 55 -3.267 3.210 12.970 1.00 0.00 C ATOM 783 C GLY A 55 -4.027 2.336 11.992 1.00 0.00 C ATOM 784 O GLY A 55 -3.438 1.494 11.313 1.00 0.00 O ATOM 0 H GLY A 55 -1.582 2.845 11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.379 2.806 13.976 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.705 4.208 12.976 1.00 0.00 H new ATOM 788 N LEU A 56 -5.338 2.534 11.919 1.00 0.00 N ATOM 789 CA LEU A 56 -6.181 1.756 11.018 1.00 0.00 C ATOM 790 C LEU A 56 -6.954 2.669 10.071 1.00 0.00 C ATOM 791 O LEU A 56 -7.535 3.669 10.493 1.00 0.00 O ATOM 792 CB LEU A 56 -7.155 0.890 11.819 1.00 0.00 C ATOM 793 CG LEU A 56 -6.528 -0.217 12.666 1.00 0.00 C ATOM 794 CD1 LEU A 56 -7.553 -0.800 13.627 1.00 0.00 C ATOM 795 CD2 LEU A 56 -5.949 -1.307 11.776 1.00 0.00 C ATOM 0 H LEU A 56 -5.841 3.227 12.473 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.535 1.110 10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.732 1.540 12.477 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.860 0.433 11.124 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.717 0.216 13.251 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.088 -1.587 14.221 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.920 -0.015 14.288 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.386 -1.217 13.061 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.507 -2.087 12.396 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.742 -1.736 11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.183 -0.880 11.129 1.00 0.00 H new ATOM 807 N PHE A 57 -6.958 2.317 8.790 1.00 0.00 N ATOM 808 CA PHE A 57 -7.660 3.104 7.783 1.00 0.00 C ATOM 809 C PHE A 57 -8.403 2.198 6.806 1.00 0.00 C ATOM 810 O PHE A 57 -8.009 1.059 6.553 1.00 0.00 O ATOM 811 CB PHE A 57 -6.676 3.994 7.023 1.00 0.00 C ATOM 812 CG PHE A 57 -5.633 3.224 6.265 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.691 2.462 6.937 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.595 3.261 4.880 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.729 1.753 6.242 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.636 2.553 4.179 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.703 1.797 4.861 1.00 0.00 C ATOM 0 H PHE A 57 -6.483 1.492 8.424 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.389 3.734 8.293 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.231 4.622 6.326 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.182 4.661 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.708 2.421 8.016 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.323 3.850 4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.998 1.165 6.778 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.617 2.591 3.100 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.954 1.241 4.316 1.00 0.00 H new ATOM 827 N PRO A 58 -9.506 2.714 6.243 1.00 0.00 N ATOM 828 CA PRO A 58 -10.328 1.969 5.285 1.00 0.00 C ATOM 829 C PRO A 58 -9.622 1.767 3.949 1.00 0.00 C ATOM 830 O PRO A 58 -9.026 2.696 3.405 1.00 0.00 O ATOM 831 CB PRO A 58 -11.562 2.858 5.109 1.00 0.00 C ATOM 832 CG PRO A 58 -11.088 4.232 5.438 1.00 0.00 C ATOM 833 CD PRO A 58 -10.035 4.064 6.499 1.00 0.00 C ATOM 0 HA PRO A 58 -10.557 0.964 5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.946 2.805 4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.371 2.549 5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.678 4.725 4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.909 4.852 5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.257 4.823 6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.457 4.147 7.501 1.00 0.00 H new ATOM 841 N ALA A 59 -9.694 0.548 3.424 1.00 0.00 N ATOM 842 CA ALA A 59 -9.064 0.226 2.150 1.00 0.00 C ATOM 843 C ALA A 59 -9.981 0.569 0.981 1.00 0.00 C ATOM 844 O ALA A 59 -9.998 -0.129 -0.032 1.00 0.00 O ATOM 845 CB ALA A 59 -8.680 -1.245 2.108 1.00 0.00 C ATOM 0 H ALA A 59 -10.183 -0.233 3.862 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.161 0.829 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.211 -1.471 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.981 -1.462 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.573 -1.858 2.228 1.00 0.00 H new ATOM 851 N ASP A 60 -10.744 1.647 1.130 1.00 0.00 N ATOM 852 CA ASP A 60 -11.664 2.082 0.086 1.00 0.00 C ATOM 853 C ASP A 60 -11.332 3.498 -0.375 1.00 0.00 C ATOM 854 O ASP A 60 -11.995 4.045 -1.257 1.00 0.00 O ATOM 855 CB ASP A 60 -13.107 2.022 0.591 1.00 0.00 C ATOM 856 CG ASP A 60 -13.659 0.610 0.599 1.00 0.00 C ATOM 857 OD1 ASP A 60 -13.491 -0.087 1.622 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.259 0.202 -0.417 1.00 0.00 O ATOM 0 H ASP A 60 -10.743 2.235 1.963 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.556 1.408 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.153 2.433 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.736 2.651 -0.039 1.00 0.00 H new ATOM 863 N ILE A 61 -10.304 4.085 0.227 1.00 0.00 N ATOM 864 CA ILE A 61 -9.885 5.436 -0.122 1.00 0.00 C ATOM 865 C ILE A 61 -8.404 5.477 -0.483 1.00 0.00 C ATOM 866 O ILE A 61 -7.780 6.538 -0.475 1.00 0.00 O ATOM 867 CB ILE A 61 -10.148 6.423 1.031 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.105 6.240 2.136 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.552 6.231 1.583 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.340 7.124 3.341 1.00 0.00 C ATOM 0 H ILE A 61 -9.746 3.646 0.959 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.476 5.735 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.067 7.439 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.104 5.198 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.116 6.450 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.722 6.936 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.281 6.407 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.660 5.213 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.563 6.941 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.311 8.170 3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.315 6.899 3.773 1.00 0.00 H new ATOM 882 N VAL A 62 -7.846 4.313 -0.802 1.00 0.00 N ATOM 883 CA VAL A 62 -6.439 4.215 -1.169 1.00 0.00 C ATOM 884 C VAL A 62 -6.252 3.335 -2.400 1.00 0.00 C ATOM 885 O VAL A 62 -6.952 2.337 -2.573 1.00 0.00 O ATOM 886 CB VAL A 62 -5.595 3.647 -0.013 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.655 4.570 1.195 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.065 2.247 0.352 1.00 0.00 C ATOM 0 H VAL A 62 -8.348 3.425 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.100 5.226 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.557 3.583 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.053 4.153 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.267 5.551 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.689 4.668 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.457 1.861 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.110 2.283 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.965 1.592 -0.514 1.00 0.00 H new ATOM 898 N GLN A 63 -5.303 3.711 -3.251 1.00 0.00 N ATOM 899 CA GLN A 63 -5.025 2.955 -4.467 1.00 0.00 C ATOM 900 C GLN A 63 -3.607 2.393 -4.446 1.00 0.00 C ATOM 901 O GLN A 63 -2.692 2.974 -3.862 1.00 0.00 O ATOM 902 CB GLN A 63 -5.216 3.841 -5.699 1.00 0.00 C ATOM 903 CG GLN A 63 -4.132 4.893 -5.866 1.00 0.00 C ATOM 904 CD GLN A 63 -3.962 5.332 -7.307 1.00 0.00 C ATOM 905 OE1 GLN A 63 -4.937 5.630 -7.997 1.00 0.00 O ATOM 906 NE2 GLN A 63 -2.718 5.375 -7.770 1.00 0.00 N ATOM 0 H GLN A 63 -4.714 4.534 -3.121 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.726 2.122 -4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.240 3.212 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.185 4.337 -5.633 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.375 5.760 -5.252 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.186 4.496 -5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.939 5.119 -7.163 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.542 5.664 -8.732 1.00 0.00 H new ATOM 915 N PRO A 64 -3.420 1.235 -5.096 1.00 0.00 N ATOM 916 CA PRO A 64 -2.116 0.569 -5.166 1.00 0.00 C ATOM 917 C PRO A 64 -1.121 1.331 -6.035 1.00 0.00 C ATOM 918 O PRO A 64 -1.501 1.964 -7.020 1.00 0.00 O ATOM 919 CB PRO A 64 -2.444 -0.788 -5.793 1.00 0.00 C ATOM 920 CG PRO A 64 -3.691 -0.553 -6.574 1.00 0.00 C ATOM 921 CD PRO A 64 -4.466 0.487 -5.813 1.00 0.00 C ATOM 0 HA PRO A 64 -1.642 0.498 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.634 -1.134 -6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.593 -1.551 -5.029 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.461 -0.208 -7.582 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.267 -1.473 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.035 1.133 -6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.179 0.033 -5.125 1.00 0.00 H new ATOM 929 N ALA A 65 0.153 1.266 -5.665 1.00 0.00 N ATOM 930 CA ALA A 65 1.202 1.948 -6.413 1.00 0.00 C ATOM 931 C ALA A 65 2.479 1.115 -6.452 1.00 0.00 C ATOM 932 O ALA A 65 2.598 0.110 -5.751 1.00 0.00 O ATOM 933 CB ALA A 65 1.480 3.314 -5.805 1.00 0.00 C ATOM 0 H ALA A 65 0.484 0.748 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 65 0.855 2.082 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.265 3.812 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.572 3.917 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.802 3.193 -4.771 1.00 0.00 H new ATOM 939 N ALA A 66 3.431 1.538 -7.277 1.00 0.00 N ATOM 940 CA ALA A 66 4.699 0.831 -7.407 1.00 0.00 C ATOM 941 C ALA A 66 5.590 1.075 -6.193 1.00 0.00 C ATOM 942 O ALA A 66 5.758 2.212 -5.754 1.00 0.00 O ATOM 943 CB ALA A 66 5.412 1.257 -8.682 1.00 0.00 C ATOM 0 H ALA A 66 3.348 2.367 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 66 4.488 -0.237 -7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.358 0.721 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.786 1.026 -9.544 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.604 2.329 -8.650 1.00 0.00 H new ATOM 949 N ALA A 67 6.158 0.001 -5.656 1.00 0.00 N ATOM 950 CA ALA A 67 7.033 0.099 -4.494 1.00 0.00 C ATOM 951 C ALA A 67 8.187 1.060 -4.756 1.00 0.00 C ATOM 952 O ALA A 67 8.710 1.152 -5.867 1.00 0.00 O ATOM 953 CB ALA A 67 7.563 -1.276 -4.115 1.00 0.00 C ATOM 0 H ALA A 67 6.028 -0.948 -6.007 1.00 0.00 H new ATOM 0 HA ALA A 67 6.449 0.493 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.215 -1.188 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.728 -1.935 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.126 -1.692 -4.950 1.00 0.00 H new ATOM 959 N PRO A 68 8.596 1.793 -3.711 1.00 0.00 N ATOM 960 CA PRO A 68 9.694 2.761 -3.803 1.00 0.00 C ATOM 961 C PRO A 68 11.049 2.085 -3.984 1.00 0.00 C ATOM 962 O PRO A 68 11.901 2.570 -4.728 1.00 0.00 O ATOM 963 CB PRO A 68 9.636 3.492 -2.460 1.00 0.00 C ATOM 964 CG PRO A 68 8.995 2.523 -1.528 1.00 0.00 C ATOM 965 CD PRO A 68 8.019 1.735 -2.357 1.00 0.00 C ATOM 0 HA PRO A 68 9.587 3.418 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.633 3.770 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.056 4.412 -2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.739 1.868 -1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.487 3.041 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.928 0.708 -2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.021 2.172 -2.326 1.00 0.00 H new ATOM 973 N ASP A 69 11.241 0.962 -3.300 1.00 0.00 N ATOM 974 CA ASP A 69 12.492 0.218 -3.386 1.00 0.00 C ATOM 975 C ASP A 69 12.548 -0.603 -4.670 1.00 0.00 C ATOM 976 O ASP A 69 11.521 -1.060 -5.173 1.00 0.00 O ATOM 977 CB ASP A 69 12.650 -0.698 -2.172 1.00 0.00 C ATOM 978 CG ASP A 69 13.584 -1.861 -2.443 1.00 0.00 C ATOM 979 OD1 ASP A 69 13.141 -2.844 -3.072 1.00 0.00 O ATOM 980 OD2 ASP A 69 14.759 -1.789 -2.023 1.00 0.00 O ATOM 0 H ASP A 69 10.546 0.547 -2.680 1.00 0.00 H new ATOM 0 HA ASP A 69 13.313 0.935 -3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.030 -0.119 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.672 -1.081 -1.880 1.00 0.00 H new ATOM 985 N PHE A 70 13.754 -0.787 -5.197 1.00 0.00 N ATOM 986 CA PHE A 70 13.944 -1.552 -6.424 1.00 0.00 C ATOM 987 C PHE A 70 13.269 -0.861 -7.605 1.00 0.00 C ATOM 988 O PHE A 70 12.620 -1.507 -8.428 1.00 0.00 O ATOM 989 CB PHE A 70 13.387 -2.967 -6.260 1.00 0.00 C ATOM 990 CG PHE A 70 14.092 -3.991 -7.102 1.00 0.00 C ATOM 991 CD1 PHE A 70 15.443 -4.240 -6.927 1.00 0.00 C ATOM 992 CD2 PHE A 70 13.403 -4.703 -8.071 1.00 0.00 C ATOM 993 CE1 PHE A 70 16.095 -5.182 -7.701 1.00 0.00 C ATOM 994 CE2 PHE A 70 14.049 -5.647 -8.847 1.00 0.00 C ATOM 995 CZ PHE A 70 15.397 -5.885 -8.663 1.00 0.00 C ATOM 0 H PHE A 70 14.615 -0.417 -4.794 1.00 0.00 H new ATOM 0 HA PHE A 70 15.014 -1.612 -6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 70 13.460 -3.258 -5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 70 12.328 -2.964 -6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.994 -3.692 -6.177 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.350 -4.518 -8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 70 17.149 -5.368 -7.553 1.00 0.00 H new ATOM 0 HE2 PHE A 70 13.500 -6.198 -9.596 1.00 0.00 H new ATOM 0 HZ PHE A 70 15.904 -6.620 -9.271 1.00 0.00 H new ATOM 1005 N SER A 71 13.427 0.456 -7.682 1.00 0.00 N ATOM 1006 CA SER A 71 12.830 1.237 -8.759 1.00 0.00 C ATOM 1007 C SER A 71 13.693 1.178 -10.016 1.00 0.00 C ATOM 1008 O SER A 71 14.517 2.061 -10.258 1.00 0.00 O ATOM 1009 CB SER A 71 12.643 2.691 -8.322 1.00 0.00 C ATOM 1010 OG SER A 71 11.651 3.335 -9.103 1.00 0.00 O ATOM 0 H SER A 71 13.964 1.005 -7.011 1.00 0.00 H new ATOM 0 HA SER A 71 11.855 0.807 -8.988 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.360 2.724 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.588 3.226 -8.415 1.00 0.00 H new ATOM 0 HG SER A 71 11.549 4.262 -8.803 1.00 0.00 H new ATOM 1016 N PHE A 72 13.499 0.132 -10.812 1.00 0.00 N ATOM 1017 CA PHE A 72 14.260 -0.043 -12.043 1.00 0.00 C ATOM 1018 C PHE A 72 13.666 -1.161 -12.895 1.00 0.00 C ATOM 1019 O PHE A 72 13.609 -2.316 -12.472 1.00 0.00 O ATOM 1020 CB PHE A 72 15.724 -0.354 -11.723 1.00 0.00 C ATOM 1021 CG PHE A 72 16.681 0.111 -12.784 1.00 0.00 C ATOM 1022 CD1 PHE A 72 16.829 1.461 -13.058 1.00 0.00 C ATOM 1023 CD2 PHE A 72 17.433 -0.802 -13.505 1.00 0.00 C ATOM 1024 CE1 PHE A 72 17.708 1.891 -14.034 1.00 0.00 C ATOM 1025 CE2 PHE A 72 18.314 -0.378 -14.482 1.00 0.00 C ATOM 1026 CZ PHE A 72 18.452 0.971 -14.746 1.00 0.00 C ATOM 0 H PHE A 72 12.821 -0.607 -10.626 1.00 0.00 H new ATOM 0 HA PHE A 72 14.208 0.888 -12.608 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.988 0.116 -10.775 1.00 0.00 H new ATOM 0 HB3 PHE A 72 15.838 -1.430 -11.588 1.00 0.00 H new ATOM 0 HD1 PHE A 72 16.251 2.185 -12.503 1.00 0.00 H new ATOM 0 HD2 PHE A 72 17.330 -1.858 -13.301 1.00 0.00 H new ATOM 0 HE1 PHE A 72 17.813 2.946 -14.240 1.00 0.00 H new ATOM 0 HE2 PHE A 72 18.894 -1.100 -15.038 1.00 0.00 H new ATOM 0 HZ PHE A 72 19.141 1.305 -15.508 1.00 0.00 H new ATOM 1036 N SER A 73 13.224 -0.809 -14.098 1.00 0.00 N ATOM 1037 CA SER A 73 12.630 -1.781 -15.009 1.00 0.00 C ATOM 1038 C SER A 73 13.564 -2.070 -16.180 1.00 0.00 C ATOM 1039 O SER A 73 14.514 -1.327 -16.430 1.00 0.00 O ATOM 1040 CB SER A 73 11.285 -1.268 -15.529 1.00 0.00 C ATOM 1041 OG SER A 73 10.346 -1.142 -14.476 1.00 0.00 O ATOM 0 H SER A 73 13.266 0.142 -14.465 1.00 0.00 H new ATOM 0 HA SER A 73 12.469 -2.708 -14.458 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.424 -0.302 -16.014 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.899 -1.952 -16.285 1.00 0.00 H new ATOM 0 HG SER A 73 9.496 -0.811 -14.834 1.00 0.00 H new ATOM 1047 N LYS A 74 13.288 -3.155 -16.895 1.00 0.00 N ATOM 1048 CA LYS A 74 14.101 -3.544 -18.041 1.00 0.00 C ATOM 1049 C LYS A 74 14.132 -2.435 -19.088 1.00 0.00 C ATOM 1050 O LYS A 74 15.202 -2.021 -19.534 1.00 0.00 O ATOM 1051 CB LYS A 74 13.558 -4.832 -18.664 1.00 0.00 C ATOM 1052 CG LYS A 74 14.419 -5.372 -19.793 1.00 0.00 C ATOM 1053 CD LYS A 74 15.716 -5.966 -19.269 1.00 0.00 C ATOM 1054 CE LYS A 74 15.502 -7.363 -18.707 1.00 0.00 C ATOM 1055 NZ LYS A 74 15.060 -8.322 -19.756 1.00 0.00 N ATOM 0 H LYS A 74 12.507 -3.781 -16.701 1.00 0.00 H new ATOM 0 HA LYS A 74 15.118 -3.718 -17.690 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.472 -5.593 -17.888 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.552 -4.647 -19.042 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.865 -6.133 -20.343 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.643 -4.570 -20.497 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.451 -6.005 -20.073 1.00 0.00 H new ATOM 0 HD3 LYS A 74 16.126 -5.319 -18.493 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.429 -7.719 -18.257 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.756 -7.325 -17.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.278 -9.293 -19.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.035 -8.227 -19.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.558 -8.117 -20.646 1.00 0.00 H new ATOM 1069 N GLU A 75 12.953 -1.958 -19.474 1.00 0.00 N ATOM 1070 CA GLU A 75 12.848 -0.896 -20.467 1.00 0.00 C ATOM 1071 C GLU A 75 13.131 0.466 -19.840 1.00 0.00 C ATOM 1072 O GLU A 75 12.211 1.185 -19.452 1.00 0.00 O ATOM 1073 CB GLU A 75 11.456 -0.897 -21.102 1.00 0.00 C ATOM 1074 CG GLU A 75 11.349 -0.018 -22.337 1.00 0.00 C ATOM 1075 CD GLU A 75 9.914 0.327 -22.685 1.00 0.00 C ATOM 1076 OE1 GLU A 75 9.249 0.992 -21.863 1.00 0.00 O ATOM 1077 OE2 GLU A 75 9.456 -0.067 -23.778 1.00 0.00 O ATOM 0 H GLU A 75 12.058 -2.290 -19.114 1.00 0.00 H new ATOM 0 HA GLU A 75 13.593 -1.083 -21.240 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.189 -1.919 -21.370 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.729 -0.561 -20.363 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.910 0.902 -22.173 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.811 -0.528 -23.182 1.00 0.00 H new ATOM 1084 N GLN A 76 14.411 0.813 -19.745 1.00 0.00 N ATOM 1085 CA GLN A 76 14.815 2.088 -19.164 1.00 0.00 C ATOM 1086 C GLN A 76 14.681 3.216 -20.181 1.00 0.00 C ATOM 1087 O GLN A 76 14.603 2.974 -21.385 1.00 0.00 O ATOM 1088 CB GLN A 76 16.257 2.008 -18.661 1.00 0.00 C ATOM 1089 CG GLN A 76 17.287 1.915 -19.775 1.00 0.00 C ATOM 1090 CD GLN A 76 17.457 0.502 -20.297 1.00 0.00 C ATOM 1091 OE1 GLN A 76 17.475 -0.458 -19.527 1.00 0.00 O ATOM 1092 NE2 GLN A 76 17.582 0.368 -21.613 1.00 0.00 N ATOM 0 H GLN A 76 15.185 0.230 -20.063 1.00 0.00 H new ATOM 0 HA GLN A 76 14.155 2.301 -18.323 1.00 0.00 H new ATOM 0 HB2 GLN A 76 16.470 2.887 -18.053 1.00 0.00 H new ATOM 0 HB3 GLN A 76 16.358 1.139 -18.011 1.00 0.00 H new ATOM 0 HG2 GLN A 76 16.989 2.568 -20.595 1.00 0.00 H new ATOM 0 HG3 GLN A 76 18.246 2.281 -19.409 1.00 0.00 H new ATOM 0 HE21 GLN A 76 17.561 1.192 -22.214 1.00 0.00 H new ATOM 0 HE22 GLN A 76 17.699 -0.559 -22.022 1.00 0.00 H new ATOM 1101 N ARG A 77 14.654 4.450 -19.688 1.00 0.00 N ATOM 1102 CA ARG A 77 14.527 5.616 -20.553 1.00 0.00 C ATOM 1103 C ARG A 77 15.618 6.640 -20.250 1.00 0.00 C ATOM 1104 O ARG A 77 15.703 7.160 -19.138 1.00 0.00 O ATOM 1105 CB ARG A 77 13.149 6.258 -20.382 1.00 0.00 C ATOM 1106 CG ARG A 77 12.652 6.975 -21.627 1.00 0.00 C ATOM 1107 CD ARG A 77 11.137 7.105 -21.627 1.00 0.00 C ATOM 1108 NE ARG A 77 10.666 8.018 -22.665 1.00 0.00 N ATOM 1109 CZ ARG A 77 9.472 8.598 -22.647 1.00 0.00 C ATOM 1110 NH1 ARG A 77 8.631 8.362 -21.649 1.00 0.00 N ATOM 1111 NH2 ARG A 77 9.115 9.416 -23.629 1.00 0.00 N ATOM 0 H ARG A 77 14.718 4.668 -18.694 1.00 0.00 H new ATOM 0 HA ARG A 77 14.640 5.284 -21.585 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.430 5.487 -20.106 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.188 6.968 -19.556 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.103 7.966 -21.682 1.00 0.00 H new ATOM 0 HG3 ARG A 77 12.972 6.429 -22.515 1.00 0.00 H new ATOM 0 HD2 ARG A 77 10.689 6.123 -21.778 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.804 7.461 -20.652 1.00 0.00 H new ATOM 0 HE ARG A 77 11.289 8.221 -23.447 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.901 7.733 -20.892 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.714 8.809 -21.638 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.758 9.600 -24.399 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.197 9.861 -23.614 1.00 0.00 H new ATOM 1125 N SER A 78 16.450 6.923 -21.247 1.00 0.00 N ATOM 1126 CA SER A 78 17.538 7.880 -21.086 1.00 0.00 C ATOM 1127 C SER A 78 17.013 9.312 -21.125 1.00 0.00 C ATOM 1128 O SER A 78 16.430 9.744 -22.119 1.00 0.00 O ATOM 1129 CB SER A 78 18.588 7.680 -22.182 1.00 0.00 C ATOM 1130 OG SER A 78 18.042 7.938 -23.464 1.00 0.00 O ATOM 0 H SER A 78 16.391 6.503 -22.175 1.00 0.00 H new ATOM 0 HA SER A 78 18.000 7.707 -20.114 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.435 8.343 -22.004 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.968 6.659 -22.144 1.00 0.00 H new ATOM 0 HG SER A 78 17.319 8.594 -23.385 1.00 0.00 H new ATOM 1136 N GLY A 79 17.222 10.042 -20.034 1.00 0.00 N ATOM 1137 CA GLY A 79 16.764 11.417 -19.963 1.00 0.00 C ATOM 1138 C GLY A 79 17.610 12.263 -19.033 1.00 0.00 C ATOM 1139 O GLY A 79 18.834 12.308 -19.164 1.00 0.00 O ATOM 0 H GLY A 79 17.700 9.706 -19.198 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.780 11.854 -20.962 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.728 11.435 -19.624 1.00 0.00 H new ATOM 1143 N SER A 80 16.959 12.937 -18.090 1.00 0.00 N ATOM 1144 CA SER A 80 17.659 13.791 -17.138 1.00 0.00 C ATOM 1145 C SER A 80 17.656 13.168 -15.745 1.00 0.00 C ATOM 1146 O SER A 80 16.713 12.475 -15.365 1.00 0.00 O ATOM 1147 CB SER A 80 17.013 15.176 -17.091 1.00 0.00 C ATOM 1148 OG SER A 80 15.857 15.172 -16.271 1.00 0.00 O ATOM 0 H SER A 80 15.947 12.908 -17.965 1.00 0.00 H new ATOM 0 HA SER A 80 18.692 13.892 -17.470 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.731 15.903 -16.710 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.746 15.491 -18.100 1.00 0.00 H new ATOM 0 HG SER A 80 15.463 16.069 -16.256 1.00 0.00 H new ATOM 1154 N GLY A 81 18.720 13.420 -14.988 1.00 0.00 N ATOM 1155 CA GLY A 81 18.821 12.876 -13.646 1.00 0.00 C ATOM 1156 C GLY A 81 19.607 13.777 -12.714 1.00 0.00 C ATOM 1157 O GLY A 81 20.449 14.566 -13.143 1.00 0.00 O ATOM 0 H GLY A 81 19.513 13.991 -15.280 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.820 12.725 -13.242 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.299 11.897 -13.689 1.00 0.00 H new ATOM 1161 N PRO A 82 19.332 13.665 -11.406 1.00 0.00 N ATOM 1162 CA PRO A 82 20.009 14.469 -10.384 1.00 0.00 C ATOM 1163 C PRO A 82 21.471 14.074 -10.210 1.00 0.00 C ATOM 1164 O PRO A 82 21.912 13.047 -10.725 1.00 0.00 O ATOM 1165 CB PRO A 82 19.217 14.161 -9.110 1.00 0.00 C ATOM 1166 CG PRO A 82 18.622 12.817 -9.349 1.00 0.00 C ATOM 1167 CD PRO A 82 18.341 12.745 -10.824 1.00 0.00 C ATOM 0 HA PRO A 82 20.030 15.527 -10.645 1.00 0.00 H new ATOM 0 HB2 PRO A 82 19.864 14.157 -8.233 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.445 14.910 -8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 82 19.308 12.027 -9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.707 12.687 -8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.461 11.731 -11.207 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.322 13.055 -11.054 1.00 0.00 H new ATOM 1175 N SER A 83 22.219 14.898 -9.482 1.00 0.00 N ATOM 1176 CA SER A 83 23.634 14.636 -9.244 1.00 0.00 C ATOM 1177 C SER A 83 23.975 14.799 -7.766 1.00 0.00 C ATOM 1178 O SER A 83 23.191 15.352 -6.994 1.00 0.00 O ATOM 1179 CB SER A 83 24.497 15.578 -10.085 1.00 0.00 C ATOM 1180 OG SER A 83 24.347 16.922 -9.662 1.00 0.00 O ATOM 0 H SER A 83 21.869 15.752 -9.047 1.00 0.00 H new ATOM 0 HA SER A 83 23.842 13.607 -9.536 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.544 15.284 -10.007 1.00 0.00 H new ATOM 0 HB3 SER A 83 24.219 15.491 -11.135 1.00 0.00 H new ATOM 0 HG SER A 83 24.910 17.504 -10.214 1.00 0.00 H new ATOM 1186 N SER A 84 25.151 14.315 -7.379 1.00 0.00 N ATOM 1187 CA SER A 84 25.595 14.403 -5.993 1.00 0.00 C ATOM 1188 C SER A 84 26.278 15.741 -5.726 1.00 0.00 C ATOM 1189 O SER A 84 27.131 16.180 -6.495 1.00 0.00 O ATOM 1190 CB SER A 84 26.554 13.255 -5.669 1.00 0.00 C ATOM 1191 OG SER A 84 27.128 13.418 -4.384 1.00 0.00 O ATOM 0 H SER A 84 25.813 13.858 -8.006 1.00 0.00 H new ATOM 0 HA SER A 84 24.718 14.327 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.019 12.306 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 84 27.343 13.213 -6.420 1.00 0.00 H new ATOM 0 HG SER A 84 27.735 12.671 -4.200 1.00 0.00 H new ATOM 1197 N GLY A 85 25.894 16.385 -4.628 1.00 0.00 N ATOM 1198 CA GLY A 85 26.478 17.667 -4.277 1.00 0.00 C ATOM 1199 C GLY A 85 27.974 17.580 -4.050 1.00 0.00 C ATOM 1200 O GLY A 85 28.435 17.566 -2.909 1.00 0.00 O ATOM 0 H GLY A 85 25.189 16.042 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 85 26.275 18.385 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 85 25.998 18.047 -3.375 1.00 0.00 H new TER 1204 GLY A 85