USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 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 40 SER OG : rot 114:sc= 0.458 USER MOD Set 1.2: A 43 GLN : amide:sc= 0.236 K(o=0.69,f=-0.88) USER MOD Single : A 1 GLN : amide:sc= 0.689 K(o=0.69,f=0) USER MOD Single : A 1 GLN N :NH3+ 140:sc= 0.0661 (180deg=-0.34) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.00906) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0.0385 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.132 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -106:sc= 1.06 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 17.727 42.367 33.843 1.00 0.00 N ATOM 2 CA GLN A 1 18.119 42.183 32.411 1.00 0.00 C ATOM 3 C GLN A 1 17.382 40.990 31.795 1.00 0.00 C ATOM 4 O GLN A 1 16.651 40.283 32.465 1.00 0.00 O ATOM 5 CB GLN A 1 19.635 41.931 32.422 1.00 0.00 C ATOM 6 CG GLN A 1 19.960 40.679 33.246 1.00 0.00 C ATOM 7 CD GLN A 1 21.271 40.066 32.747 1.00 0.00 C ATOM 8 OE1 GLN A 1 22.329 40.370 33.260 1.00 0.00 O ATOM 9 NE2 GLN A 1 21.246 39.211 31.763 1.00 0.00 N ATOM 0 H1 GLN A 1 18.566 42.619 34.403 1.00 0.00 H new ATOM 0 H2 GLN A 1 17.022 43.128 33.915 1.00 0.00 H new ATOM 0 H3 GLN A 1 17.320 41.482 34.208 1.00 0.00 H new ATOM 0 HA GLN A 1 17.860 43.056 31.812 1.00 0.00 H new ATOM 0 HB2 GLN A 1 19.997 41.807 31.401 1.00 0.00 H new ATOM 0 HB3 GLN A 1 20.151 42.795 32.841 1.00 0.00 H new ATOM 0 HG2 GLN A 1 20.045 40.937 34.301 1.00 0.00 H new ATOM 0 HG3 GLN A 1 19.151 39.954 33.160 1.00 0.00 H new ATOM 0 HE21 GLN A 1 20.358 38.955 31.332 1.00 0.00 H new ATOM 0 HE22 GLN A 1 22.115 38.798 31.424 1.00 0.00 H new ATOM 20 N VAL A 2 17.574 40.766 30.522 1.00 0.00 N ATOM 21 CA VAL A 2 16.893 39.619 29.843 1.00 0.00 C ATOM 22 C VAL A 2 17.587 38.301 30.211 1.00 0.00 C ATOM 23 O VAL A 2 18.785 38.259 30.430 1.00 0.00 O ATOM 24 CB VAL A 2 17.025 39.900 28.339 1.00 0.00 C ATOM 25 CG1 VAL A 2 16.426 38.738 27.541 1.00 0.00 C ATOM 26 CG2 VAL A 2 16.276 41.189 27.989 1.00 0.00 C ATOM 0 H VAL A 2 18.175 41.329 29.919 1.00 0.00 H new ATOM 0 HA VAL A 2 15.849 39.524 30.143 1.00 0.00 H new ATOM 0 HB VAL A 2 18.080 40.009 28.088 1.00 0.00 H new ATOM 0 HG11 VAL A 2 16.522 38.942 26.474 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.957 37.818 27.784 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.372 38.627 27.796 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.371 41.387 26.921 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.222 41.079 28.245 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.701 42.021 28.551 1.00 0.00 H new ATOM 36 N TYR A 3 16.841 37.226 30.276 1.00 0.00 N ATOM 37 CA TYR A 3 17.448 35.906 30.626 1.00 0.00 C ATOM 38 C TYR A 3 17.902 35.177 29.355 1.00 0.00 C ATOM 39 O TYR A 3 17.375 35.396 28.279 1.00 0.00 O ATOM 40 CB TYR A 3 16.334 35.123 31.327 1.00 0.00 C ATOM 41 CG TYR A 3 16.891 34.446 32.557 1.00 0.00 C ATOM 42 CD1 TYR A 3 17.461 33.171 32.457 1.00 0.00 C ATOM 43 CD2 TYR A 3 16.838 35.095 33.797 1.00 0.00 C ATOM 44 CE1 TYR A 3 17.978 32.545 33.598 1.00 0.00 C ATOM 45 CE2 TYR A 3 17.355 34.468 34.936 1.00 0.00 C ATOM 46 CZ TYR A 3 17.925 33.194 34.837 1.00 0.00 C ATOM 47 OH TYR A 3 18.435 32.576 35.960 1.00 0.00 O ATOM 0 H TYR A 3 15.836 37.206 30.101 1.00 0.00 H new ATOM 0 HA TYR A 3 18.327 36.014 31.261 1.00 0.00 H new ATOM 0 HB2 TYR A 3 15.522 35.795 31.605 1.00 0.00 H new ATOM 0 HB3 TYR A 3 15.915 34.380 30.648 1.00 0.00 H new ATOM 0 HD1 TYR A 3 17.502 32.671 31.501 1.00 0.00 H new ATOM 0 HD2 TYR A 3 16.398 36.079 33.874 1.00 0.00 H new ATOM 0 HE1 TYR A 3 18.418 31.561 33.522 1.00 0.00 H new ATOM 0 HE2 TYR A 3 17.314 34.968 35.892 1.00 0.00 H new ATOM 0 HH TYR A 3 18.320 33.162 36.737 1.00 0.00 H new ATOM 57 N LYS A 4 18.878 34.313 29.474 1.00 0.00 N ATOM 58 CA LYS A 4 19.377 33.565 28.282 1.00 0.00 C ATOM 59 C LYS A 4 18.949 32.093 28.360 1.00 0.00 C ATOM 60 O LYS A 4 19.329 31.376 29.267 1.00 0.00 O ATOM 61 CB LYS A 4 20.902 33.688 28.345 1.00 0.00 C ATOM 62 CG LYS A 4 21.494 33.463 26.953 1.00 0.00 C ATOM 63 CD LYS A 4 23.021 33.403 27.049 1.00 0.00 C ATOM 64 CE LYS A 4 23.573 32.501 25.939 1.00 0.00 C ATOM 65 NZ LYS A 4 23.515 33.325 24.696 1.00 0.00 N ATOM 0 H LYS A 4 19.352 34.093 30.350 1.00 0.00 H new ATOM 0 HA LYS A 4 18.976 33.961 27.349 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.182 34.674 28.715 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.307 32.958 29.046 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.109 32.536 26.529 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.193 34.269 26.284 1.00 0.00 H new ATOM 0 HD2 LYS A 4 23.440 34.405 26.959 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.319 33.019 28.025 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.595 32.190 26.157 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.978 31.593 25.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.991 32.808 23.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.033 34.224 24.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.481 33.518 24.362 1.00 0.00 H new ATOM 79 N GLY A 5 18.161 31.643 27.416 1.00 0.00 N ATOM 80 CA GLY A 5 17.705 30.221 27.426 1.00 0.00 C ATOM 81 C GLY A 5 17.528 29.726 25.988 1.00 0.00 C ATOM 82 O GLY A 5 18.468 29.284 25.357 1.00 0.00 O ATOM 0 H GLY A 5 17.813 32.202 26.637 1.00 0.00 H new ATOM 0 HA2 GLY A 5 18.432 29.599 27.948 1.00 0.00 H new ATOM 0 HA3 GLY A 5 16.764 30.135 27.969 1.00 0.00 H new ATOM 86 N GLY A 6 16.327 29.797 25.467 1.00 0.00 N ATOM 87 CA GLY A 6 16.082 29.333 24.070 1.00 0.00 C ATOM 88 C GLY A 6 14.857 30.051 23.496 1.00 0.00 C ATOM 89 O GLY A 6 13.860 30.230 24.170 1.00 0.00 O ATOM 0 H GLY A 6 15.505 30.158 25.952 1.00 0.00 H new ATOM 0 HA2 GLY A 6 16.957 29.534 23.451 1.00 0.00 H new ATOM 0 HA3 GLY A 6 15.923 28.255 24.057 1.00 0.00 H new ATOM 93 N TYR A 7 14.930 30.467 22.254 1.00 0.00 N ATOM 94 CA TYR A 7 13.773 31.178 21.623 1.00 0.00 C ATOM 95 C TYR A 7 12.600 30.213 21.405 1.00 0.00 C ATOM 96 O TYR A 7 12.778 29.101 20.944 1.00 0.00 O ATOM 97 CB TYR A 7 14.297 31.691 20.276 1.00 0.00 C ATOM 98 CG TYR A 7 14.779 33.117 20.423 1.00 0.00 C ATOM 99 CD1 TYR A 7 13.855 34.157 20.584 1.00 0.00 C ATOM 100 CD2 TYR A 7 16.150 33.398 20.394 1.00 0.00 C ATOM 101 CE1 TYR A 7 14.302 35.476 20.717 1.00 0.00 C ATOM 102 CE2 TYR A 7 16.597 34.718 20.526 1.00 0.00 C ATOM 103 CZ TYR A 7 15.673 35.757 20.688 1.00 0.00 C ATOM 104 OH TYR A 7 16.114 37.058 20.818 1.00 0.00 O ATOM 0 H TYR A 7 15.742 30.345 21.649 1.00 0.00 H new ATOM 0 HA TYR A 7 13.405 31.987 22.253 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.111 31.056 19.927 1.00 0.00 H new ATOM 0 HB3 TYR A 7 13.508 31.640 19.525 1.00 0.00 H new ATOM 0 HD1 TYR A 7 12.797 33.941 20.605 1.00 0.00 H new ATOM 0 HD2 TYR A 7 16.863 32.596 20.270 1.00 0.00 H new ATOM 0 HE1 TYR A 7 13.589 36.278 20.842 1.00 0.00 H new ATOM 0 HE2 TYR A 7 17.655 34.935 20.503 1.00 0.00 H new ATOM 0 HH TYR A 7 17.093 37.077 20.778 1.00 0.00 H new ATOM 114 N ALA A 8 11.403 30.636 21.731 1.00 0.00 N ATOM 115 CA ALA A 8 10.212 29.752 21.545 1.00 0.00 C ATOM 116 C ALA A 8 9.508 30.079 20.221 1.00 0.00 C ATOM 117 O ALA A 8 9.024 31.178 20.020 1.00 0.00 O ATOM 118 CB ALA A 8 9.296 30.057 22.732 1.00 0.00 C ATOM 0 H ALA A 8 11.200 31.557 22.119 1.00 0.00 H new ATOM 0 HA ALA A 8 10.486 28.698 21.506 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.397 29.444 22.665 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.819 29.834 23.662 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.018 31.111 22.716 1.00 0.00 H new ATOM 124 N ARG A 9 9.447 29.130 19.319 1.00 0.00 N ATOM 125 CA ARG A 9 8.777 29.377 18.007 1.00 0.00 C ATOM 126 C ARG A 9 7.268 29.096 18.115 1.00 0.00 C ATOM 127 O ARG A 9 6.868 28.035 18.560 1.00 0.00 O ATOM 128 CB ARG A 9 9.438 28.401 17.028 1.00 0.00 C ATOM 129 CG ARG A 9 9.085 28.794 15.589 1.00 0.00 C ATOM 130 CD ARG A 9 10.319 29.384 14.898 1.00 0.00 C ATOM 131 NE ARG A 9 10.296 28.821 13.518 1.00 0.00 N ATOM 132 CZ ARG A 9 11.133 27.874 13.183 1.00 0.00 C ATOM 133 NH1 ARG A 9 10.937 26.653 13.608 1.00 0.00 N ATOM 134 NH2 ARG A 9 12.161 28.151 12.424 1.00 0.00 N ATOM 0 H ARG A 9 9.834 28.193 19.436 1.00 0.00 H new ATOM 0 HA ARG A 9 8.883 30.412 17.682 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.520 28.412 17.163 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.102 27.384 17.230 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.731 27.922 15.040 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.273 29.522 15.589 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.278 30.473 14.880 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.234 29.108 15.422 1.00 0.00 H new ATOM 0 HE ARG A 9 9.627 29.175 12.834 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.133 26.442 14.199 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.588 25.912 13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.309 29.105 12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.815 27.413 12.162 1.00 0.00 H new ATOM 148 N PRO A 10 6.479 30.062 17.702 1.00 0.00 N ATOM 149 CA PRO A 10 4.999 29.916 17.754 1.00 0.00 C ATOM 150 C PRO A 10 4.522 28.903 16.704 1.00 0.00 C ATOM 151 O PRO A 10 5.162 28.709 15.687 1.00 0.00 O ATOM 152 CB PRO A 10 4.489 31.320 17.438 1.00 0.00 C ATOM 153 CG PRO A 10 5.591 31.965 16.660 1.00 0.00 C ATOM 154 CD PRO A 10 6.882 31.364 17.150 1.00 0.00 C ATOM 0 HA PRO A 10 4.637 29.546 18.713 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.566 31.284 16.859 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.272 31.876 18.350 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.464 31.789 15.592 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.587 33.045 16.808 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.602 31.249 16.340 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.352 31.991 17.908 1.00 0.00 H new ATOM 162 N ILE A 11 3.405 28.259 16.951 1.00 0.00 N ATOM 163 CA ILE A 11 2.868 27.244 15.983 1.00 0.00 C ATOM 164 C ILE A 11 3.940 26.179 15.688 1.00 0.00 C ATOM 165 O ILE A 11 4.558 26.192 14.640 1.00 0.00 O ATOM 166 CB ILE A 11 2.503 28.030 14.712 1.00 0.00 C ATOM 167 CG1 ILE A 11 1.570 29.196 15.069 1.00 0.00 C ATOM 168 CG2 ILE A 11 1.791 27.103 13.722 1.00 0.00 C ATOM 169 CD1 ILE A 11 2.251 30.522 14.723 1.00 0.00 C ATOM 0 H ILE A 11 2.837 28.393 17.788 1.00 0.00 H new ATOM 0 HA ILE A 11 2.000 26.718 16.380 1.00 0.00 H new ATOM 0 HB ILE A 11 3.416 28.420 14.261 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.631 29.104 14.523 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.325 29.167 16.131 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.533 27.661 12.822 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.450 26.276 13.459 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.882 26.712 14.179 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.588 31.349 14.977 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.178 30.614 15.289 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.473 30.549 13.656 1.00 0.00 H new ATOM 181 N PRO A 12 4.128 25.290 16.638 1.00 0.00 N ATOM 182 CA PRO A 12 5.139 24.210 16.485 1.00 0.00 C ATOM 183 C PRO A 12 4.663 23.164 15.467 1.00 0.00 C ATOM 184 O PRO A 12 4.085 22.152 15.821 1.00 0.00 O ATOM 185 CB PRO A 12 5.244 23.617 17.889 1.00 0.00 C ATOM 186 CG PRO A 12 3.936 23.931 18.543 1.00 0.00 C ATOM 187 CD PRO A 12 3.425 25.208 17.925 1.00 0.00 C ATOM 0 HA PRO A 12 6.098 24.568 16.111 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.418 22.542 17.851 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.076 24.055 18.441 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.225 23.119 18.392 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.062 24.048 19.619 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.344 25.180 17.788 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.644 26.071 18.554 1.00 0.00 H new ATOM 195 N ARG A 13 4.905 23.406 14.203 1.00 0.00 N ATOM 196 CA ARG A 13 4.474 22.439 13.151 1.00 0.00 C ATOM 197 C ARG A 13 5.557 21.370 12.937 1.00 0.00 C ATOM 198 O ARG A 13 6.711 21.694 12.719 1.00 0.00 O ATOM 199 CB ARG A 13 4.289 23.282 11.885 1.00 0.00 C ATOM 200 CG ARG A 13 3.277 22.602 10.958 1.00 0.00 C ATOM 201 CD ARG A 13 1.964 23.393 10.963 1.00 0.00 C ATOM 202 NE ARG A 13 1.269 22.997 9.705 1.00 0.00 N ATOM 203 CZ ARG A 13 1.211 23.830 8.699 1.00 0.00 C ATOM 204 NH1 ARG A 13 2.266 24.025 7.952 1.00 0.00 N ATOM 205 NH2 ARG A 13 0.097 24.466 8.443 1.00 0.00 N ATOM 0 H ARG A 13 5.385 24.236 13.854 1.00 0.00 H new ATOM 0 HA ARG A 13 3.559 21.913 13.424 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.942 24.281 12.149 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.244 23.401 11.373 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.676 22.546 9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.098 21.578 11.287 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.362 23.152 11.839 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.150 24.467 10.990 1.00 0.00 H new ATOM 0 HE ARG A 13 0.838 22.075 9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.133 23.527 8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.222 24.675 7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.724 24.312 9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.050 25.116 7.659 1.00 0.00 H new ATOM 219 N PRO A 14 5.145 20.125 13.005 1.00 0.00 N ATOM 220 CA PRO A 14 6.089 18.989 12.813 1.00 0.00 C ATOM 221 C PRO A 14 6.502 18.869 11.335 1.00 0.00 C ATOM 222 O PRO A 14 5.928 19.516 10.479 1.00 0.00 O ATOM 223 CB PRO A 14 5.276 17.772 13.251 1.00 0.00 C ATOM 224 CG PRO A 14 3.846 18.171 13.061 1.00 0.00 C ATOM 225 CD PRO A 14 3.775 19.660 13.268 1.00 0.00 C ATOM 0 HA PRO A 14 7.016 19.104 13.375 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.524 16.896 12.652 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.479 17.515 14.291 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.500 17.903 12.063 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.203 17.652 13.771 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.060 20.123 12.588 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.458 19.907 14.281 1.00 0.00 H new ATOM 233 N PRO A 15 7.490 18.038 11.084 1.00 0.00 N ATOM 234 CA PRO A 15 7.980 17.833 9.696 1.00 0.00 C ATOM 235 C PRO A 15 6.950 17.039 8.873 1.00 0.00 C ATOM 236 O PRO A 15 6.616 15.921 9.218 1.00 0.00 O ATOM 237 CB PRO A 15 9.267 17.032 9.884 1.00 0.00 C ATOM 238 CG PRO A 15 9.103 16.340 11.199 1.00 0.00 C ATOM 239 CD PRO A 15 8.233 17.222 12.055 1.00 0.00 C ATOM 0 HA PRO A 15 8.142 18.766 9.156 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.407 16.315 9.075 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.141 17.684 9.887 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.645 15.360 11.065 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.071 16.177 11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.561 16.634 12.680 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.829 17.842 12.724 1.00 0.00 H new ATOM 247 N PRO A 16 6.477 17.651 7.810 1.00 0.00 N ATOM 248 CA PRO A 16 5.472 16.992 6.933 1.00 0.00 C ATOM 249 C PRO A 16 6.127 15.870 6.111 1.00 0.00 C ATOM 250 O PRO A 16 6.637 16.095 5.028 1.00 0.00 O ATOM 251 CB PRO A 16 4.982 18.125 6.034 1.00 0.00 C ATOM 252 CG PRO A 16 6.100 19.117 6.014 1.00 0.00 C ATOM 253 CD PRO A 16 6.825 18.996 7.330 1.00 0.00 C ATOM 0 HA PRO A 16 4.661 16.519 7.487 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.758 17.763 5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.067 18.570 6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.776 18.918 5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.715 20.128 5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.902 19.108 7.203 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.505 19.765 8.033 1.00 0.00 H new ATOM 261 N PHE A 17 6.115 14.664 6.623 1.00 0.00 N ATOM 262 CA PHE A 17 6.732 13.522 5.883 1.00 0.00 C ATOM 263 C PHE A 17 5.688 12.829 5.003 1.00 0.00 C ATOM 264 O PHE A 17 4.499 12.894 5.259 1.00 0.00 O ATOM 265 CB PHE A 17 7.241 12.570 6.970 1.00 0.00 C ATOM 266 CG PHE A 17 8.271 11.631 6.384 1.00 0.00 C ATOM 267 CD1 PHE A 17 9.611 12.027 6.298 1.00 0.00 C ATOM 268 CD2 PHE A 17 7.886 10.364 5.931 1.00 0.00 C ATOM 269 CE1 PHE A 17 10.565 11.156 5.756 1.00 0.00 C ATOM 270 CE2 PHE A 17 8.840 9.494 5.390 1.00 0.00 C ATOM 271 CZ PHE A 17 10.179 9.889 5.302 1.00 0.00 C ATOM 0 H PHE A 17 5.703 14.422 7.524 1.00 0.00 H new ATOM 0 HA PHE A 17 7.534 13.848 5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.679 13.140 7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.410 12.000 7.386 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.909 13.004 6.649 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.853 10.057 5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.599 11.462 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.542 8.517 5.040 1.00 0.00 H new ATOM 0 HZ PHE A 17 10.914 9.217 4.884 1.00 0.00 H new ATOM 281 N VAL A 18 6.131 12.164 3.968 1.00 0.00 N ATOM 282 CA VAL A 18 5.182 11.456 3.055 1.00 0.00 C ATOM 283 C VAL A 18 5.579 9.980 2.921 1.00 0.00 C ATOM 284 O VAL A 18 6.746 9.635 2.954 1.00 0.00 O ATOM 285 CB VAL A 18 5.310 12.173 1.705 1.00 0.00 C ATOM 286 CG1 VAL A 18 4.405 11.497 0.671 1.00 0.00 C ATOM 287 CG2 VAL A 18 4.889 13.638 1.859 1.00 0.00 C ATOM 0 H VAL A 18 7.115 12.080 3.714 1.00 0.00 H new ATOM 0 HA VAL A 18 4.158 11.478 3.429 1.00 0.00 H new ATOM 0 HB VAL A 18 6.346 12.121 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.500 12.010 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.701 10.454 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.369 11.545 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.981 14.146 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.854 13.685 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.533 14.127 2.591 1.00 0.00 H new ATOM 297 N ARG A 19 4.614 9.108 2.767 1.00 0.00 N ATOM 298 CA ARG A 19 4.929 7.652 2.626 1.00 0.00 C ATOM 299 C ARG A 19 5.451 7.360 1.211 1.00 0.00 C ATOM 300 O ARG A 19 4.838 7.753 0.235 1.00 0.00 O ATOM 301 CB ARG A 19 3.601 6.925 2.874 1.00 0.00 C ATOM 302 CG ARG A 19 3.876 5.530 3.443 1.00 0.00 C ATOM 303 CD ARG A 19 2.722 5.115 4.363 1.00 0.00 C ATOM 304 NE ARG A 19 3.195 3.879 5.051 1.00 0.00 N ATOM 305 CZ ARG A 19 2.347 2.931 5.348 1.00 0.00 C ATOM 306 NH1 ARG A 19 2.067 2.008 4.466 1.00 0.00 N ATOM 307 NH2 ARG A 19 1.778 2.909 6.525 1.00 0.00 N ATOM 0 H ARG A 19 3.622 9.341 2.733 1.00 0.00 H new ATOM 0 HA ARG A 19 5.701 7.328 3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.986 7.497 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.040 6.845 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.985 4.810 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.815 5.530 3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.489 5.901 5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.813 4.925 3.793 1.00 0.00 H new ATOM 0 HE ARG A 19 4.181 3.774 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.510 2.029 3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.405 1.267 4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.996 3.632 7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.116 2.169 6.758 1.00 0.00 H new ATOM 321 N PRO A 20 6.572 6.677 1.146 1.00 0.00 N ATOM 322 CA PRO A 20 7.182 6.330 -0.165 1.00 0.00 C ATOM 323 C PRO A 20 6.386 5.215 -0.858 1.00 0.00 C ATOM 324 O PRO A 20 5.343 4.796 -0.388 1.00 0.00 O ATOM 325 CB PRO A 20 8.582 5.848 0.209 1.00 0.00 C ATOM 326 CG PRO A 20 8.467 5.373 1.623 1.00 0.00 C ATOM 327 CD PRO A 20 7.371 6.175 2.273 1.00 0.00 C ATOM 0 HA PRO A 20 7.194 7.167 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.912 5.045 -0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.312 6.653 0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.235 4.308 1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.410 5.509 2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.771 5.559 2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.776 6.993 2.869 1.00 0.00 H new ATOM 335 N LEU A 21 6.874 4.734 -1.974 1.00 0.00 N ATOM 336 CA LEU A 21 6.157 3.645 -2.709 1.00 0.00 C ATOM 337 C LEU A 21 6.231 2.329 -1.918 1.00 0.00 C ATOM 338 O LEU A 21 7.292 1.944 -1.464 1.00 0.00 O ATOM 339 CB LEU A 21 6.896 3.512 -4.046 1.00 0.00 C ATOM 340 CG LEU A 21 6.070 2.656 -5.011 1.00 0.00 C ATOM 341 CD1 LEU A 21 5.292 3.564 -5.966 1.00 0.00 C ATOM 342 CD2 LEU A 21 7.006 1.752 -5.819 1.00 0.00 C ATOM 0 H LEU A 21 7.741 5.049 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 21 5.100 3.871 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.069 4.498 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.874 3.058 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 21 5.370 2.043 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.705 2.953 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.625 4.209 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.991 4.178 -6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.419 1.142 -6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.706 2.366 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.560 1.103 -5.141 1.00 0.00 H new ATOM 354 N PRO A 22 5.095 1.682 -1.777 1.00 0.00 N ATOM 355 CA PRO A 22 5.034 0.396 -1.033 1.00 0.00 C ATOM 356 C PRO A 22 5.624 -0.748 -1.873 1.00 0.00 C ATOM 357 O PRO A 22 5.147 -1.047 -2.953 1.00 0.00 O ATOM 358 CB PRO A 22 3.540 0.186 -0.801 1.00 0.00 C ATOM 359 CG PRO A 22 2.861 0.952 -1.892 1.00 0.00 C ATOM 360 CD PRO A 22 3.776 2.083 -2.288 1.00 0.00 C ATOM 0 HA PRO A 22 5.608 0.414 -0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.280 -0.872 -0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.239 0.550 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.659 0.305 -2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.901 1.338 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.794 2.220 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.451 3.028 -1.852 1.00 0.00 H new ATOM 368 N GLY A 23 6.656 -1.389 -1.379 1.00 0.00 N ATOM 369 CA GLY A 23 7.280 -2.515 -2.137 1.00 0.00 C ATOM 370 C GLY A 23 6.403 -3.763 -2.005 1.00 0.00 C ATOM 371 O GLY A 23 6.622 -4.595 -1.145 1.00 0.00 O ATOM 0 H GLY A 23 7.093 -1.179 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.391 -2.244 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.280 -2.717 -1.753 1.00 0.00 H new ATOM 375 N GLY A 24 5.409 -3.892 -2.847 1.00 0.00 N ATOM 376 CA GLY A 24 4.506 -5.080 -2.773 1.00 0.00 C ATOM 377 C GLY A 24 3.422 -4.827 -1.721 1.00 0.00 C ATOM 378 O GLY A 24 3.558 -5.238 -0.584 1.00 0.00 O ATOM 0 H GLY A 24 5.184 -3.224 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.049 -5.265 -3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.079 -5.971 -2.515 1.00 0.00 H new ATOM 382 N PRO A 25 2.376 -4.151 -2.136 1.00 0.00 N ATOM 383 CA PRO A 25 1.254 -3.835 -1.213 1.00 0.00 C ATOM 384 C PRO A 25 0.430 -5.093 -0.908 1.00 0.00 C ATOM 385 O PRO A 25 0.307 -5.980 -1.731 1.00 0.00 O ATOM 386 CB PRO A 25 0.429 -2.810 -1.988 1.00 0.00 C ATOM 387 CG PRO A 25 0.741 -3.065 -3.428 1.00 0.00 C ATOM 388 CD PRO A 25 2.138 -3.626 -3.488 1.00 0.00 C ATOM 0 HA PRO A 25 1.590 -3.459 -0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.636 -2.929 -1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.695 -1.792 -1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.026 -3.766 -3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.671 -2.143 -4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.220 -4.411 -4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.865 -2.857 -3.750 1.00 0.00 H new ATOM 396 N ILE A 26 -0.132 -5.173 0.273 1.00 0.00 N ATOM 397 CA ILE A 26 -0.947 -6.370 0.643 1.00 0.00 C ATOM 398 C ILE A 26 -2.432 -6.111 0.351 1.00 0.00 C ATOM 399 O ILE A 26 -2.910 -4.996 0.455 1.00 0.00 O ATOM 400 CB ILE A 26 -0.713 -6.565 2.147 1.00 0.00 C ATOM 401 CG1 ILE A 26 0.775 -6.836 2.407 1.00 0.00 C ATOM 402 CG2 ILE A 26 -1.536 -7.756 2.651 1.00 0.00 C ATOM 403 CD1 ILE A 26 1.178 -6.231 3.754 1.00 0.00 C ATOM 0 H ILE A 26 -0.061 -4.459 0.998 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.664 -7.255 0.073 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.019 -5.661 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.965 -7.909 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.379 -6.405 1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.366 -7.890 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.595 -7.568 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.233 -8.658 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.235 -6.424 3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.003 -5.155 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.583 -6.682 4.548 1.00 0.00 H new ATOM 415 N GLY A 27 -3.161 -7.139 -0.010 1.00 0.00 N ATOM 416 CA GLY A 27 -4.616 -6.969 -0.311 1.00 0.00 C ATOM 417 C GLY A 27 -4.808 -6.680 -1.805 1.00 0.00 C ATOM 418 O GLY A 27 -4.932 -5.536 -2.199 1.00 0.00 O ATOM 0 H GLY A 27 -2.809 -8.091 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.162 -7.870 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.026 -6.152 0.282 1.00 0.00 H new ATOM 422 N PRO A 28 -4.827 -7.734 -2.591 1.00 0.00 N ATOM 423 CA PRO A 28 -5.007 -7.591 -4.059 1.00 0.00 C ATOM 424 C PRO A 28 -6.477 -7.298 -4.402 1.00 0.00 C ATOM 425 O PRO A 28 -7.304 -7.118 -3.527 1.00 0.00 O ATOM 426 CB PRO A 28 -4.584 -8.952 -4.605 1.00 0.00 C ATOM 427 CG PRO A 28 -4.798 -9.914 -3.479 1.00 0.00 C ATOM 428 CD PRO A 28 -4.684 -9.142 -2.189 1.00 0.00 C ATOM 0 HA PRO A 28 -4.431 -6.767 -4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.178 -9.228 -5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.541 -8.942 -4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.778 -10.384 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.058 -10.713 -3.513 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.460 -9.434 -1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.725 -9.321 -1.702 1.00 0.00 H new ATOM 436 N TYR A 29 -6.804 -7.253 -5.670 1.00 0.00 N ATOM 437 CA TYR A 29 -8.217 -6.976 -6.077 1.00 0.00 C ATOM 438 C TYR A 29 -9.067 -8.248 -5.942 1.00 0.00 C ATOM 439 O TYR A 29 -9.495 -8.831 -6.922 1.00 0.00 O ATOM 440 CB TYR A 29 -8.129 -6.526 -7.538 1.00 0.00 C ATOM 441 CG TYR A 29 -9.402 -5.810 -7.933 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.601 -4.474 -7.561 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.379 -6.482 -8.676 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.778 -3.813 -7.933 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.554 -5.821 -9.047 1.00 0.00 C ATOM 446 CZ TYR A 29 -11.755 -4.486 -8.676 1.00 0.00 C ATOM 447 OH TYR A 29 -12.914 -3.832 -9.041 1.00 0.00 O ATOM 0 H TYR A 29 -6.153 -7.396 -6.442 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.689 -6.218 -5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.273 -5.865 -7.673 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.971 -7.389 -8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.847 -3.954 -6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.225 -7.512 -8.963 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.932 -2.783 -7.646 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.307 -6.341 -9.620 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.486 -4.441 -9.554 1.00 0.00 H new ATOM 457 N ASN A 30 -9.312 -8.681 -4.729 1.00 0.00 N ATOM 458 CA ASN A 30 -10.132 -9.914 -4.518 1.00 0.00 C ATOM 459 C ASN A 30 -10.876 -9.848 -3.172 1.00 0.00 C ATOM 460 O ASN A 30 -10.966 -10.827 -2.454 1.00 0.00 O ATOM 461 CB ASN A 30 -9.123 -11.069 -4.530 1.00 0.00 C ATOM 462 CG ASN A 30 -9.298 -11.889 -5.811 1.00 0.00 C ATOM 463 OD1 ASN A 30 -10.174 -12.726 -5.895 1.00 0.00 O ATOM 464 ND2 ASN A 30 -8.498 -11.682 -6.822 1.00 0.00 N ATOM 0 H ASN A 30 -8.979 -8.233 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.897 -10.035 -5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.107 -10.679 -4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.271 -11.704 -3.656 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.610 -12.223 -7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.761 -10.980 -6.754 1.00 0.00 H new ATOM 471 N GLY A 31 -11.414 -8.702 -2.831 1.00 0.00 N ATOM 472 CA GLY A 31 -12.154 -8.572 -1.539 1.00 0.00 C ATOM 473 C GLY A 31 -12.947 -7.259 -1.516 1.00 0.00 C ATOM 474 O GLY A 31 -12.969 -6.561 -0.520 1.00 0.00 O ATOM 0 H GLY A 31 -11.372 -7.851 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.831 -9.417 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.453 -8.597 -0.705 1.00 0.00 H new ATOM 478 N CYS A 32 -13.598 -6.923 -2.606 1.00 0.00 N ATOM 479 CA CYS A 32 -14.393 -5.656 -2.659 1.00 0.00 C ATOM 480 C CYS A 32 -15.150 -5.565 -3.994 1.00 0.00 C ATOM 481 O CYS A 32 -14.639 -5.016 -4.954 1.00 0.00 O ATOM 482 CB CYS A 32 -13.367 -4.522 -2.553 1.00 0.00 C ATOM 483 SG CYS A 32 -14.231 -2.933 -2.571 1.00 0.00 S ATOM 0 H CYS A 32 -13.612 -7.475 -3.464 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.133 -5.606 -1.860 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.788 -4.624 -1.635 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.662 -4.575 -3.382 1.00 0.00 H new ATOM 488 N PRO A 33 -16.346 -6.105 -4.014 1.00 0.00 N ATOM 489 CA PRO A 33 -17.176 -6.074 -5.250 1.00 0.00 C ATOM 490 C PRO A 33 -17.593 -4.634 -5.588 1.00 0.00 C ATOM 491 O PRO A 33 -17.884 -3.839 -4.714 1.00 0.00 O ATOM 492 CB PRO A 33 -18.387 -6.936 -4.889 1.00 0.00 C ATOM 493 CG PRO A 33 -18.458 -6.882 -3.397 1.00 0.00 C ATOM 494 CD PRO A 33 -17.037 -6.789 -2.911 1.00 0.00 C ATOM 0 HA PRO A 33 -16.650 -6.441 -6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.299 -6.548 -5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.265 -7.960 -5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.039 -6.021 -3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.948 -7.770 -2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.966 -6.225 -1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.612 -7.774 -2.720 1.00 0.00 H new ATOM 502 N VAL A 34 -17.615 -4.297 -6.856 1.00 0.00 N ATOM 503 CA VAL A 34 -18.003 -2.907 -7.269 1.00 0.00 C ATOM 504 C VAL A 34 -19.468 -2.616 -6.900 1.00 0.00 C ATOM 505 O VAL A 34 -19.829 -1.487 -6.623 1.00 0.00 O ATOM 506 CB VAL A 34 -17.811 -2.870 -8.792 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.262 -1.513 -9.338 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.330 -3.079 -9.129 1.00 0.00 C ATOM 0 H VAL A 34 -17.381 -4.925 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.401 -2.152 -6.764 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.407 -3.662 -9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.124 -1.492 -10.419 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.315 -1.358 -9.104 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.669 -0.721 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.196 -3.052 -10.210 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -15.737 -2.288 -8.670 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.003 -4.046 -8.746 1.00 0.00 H new ATOM 518 N SER A 35 -20.310 -3.622 -6.895 1.00 0.00 N ATOM 519 CA SER A 35 -21.749 -3.403 -6.543 1.00 0.00 C ATOM 520 C SER A 35 -21.911 -3.087 -5.045 1.00 0.00 C ATOM 521 O SER A 35 -22.941 -2.591 -4.624 1.00 0.00 O ATOM 522 CB SER A 35 -22.448 -4.718 -6.891 1.00 0.00 C ATOM 523 OG SER A 35 -23.742 -4.439 -7.408 1.00 0.00 O ATOM 0 H SER A 35 -20.063 -4.586 -7.120 1.00 0.00 H new ATOM 0 HA SER A 35 -22.171 -2.555 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 35 -21.862 -5.272 -7.625 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.526 -5.348 -6.005 1.00 0.00 H new ATOM 0 HG SER A 35 -24.192 -5.280 -7.634 1.00 0.00 H new ATOM 529 N CYS A 36 -20.905 -3.372 -4.242 1.00 0.00 N ATOM 530 CA CYS A 36 -20.983 -3.097 -2.768 1.00 0.00 C ATOM 531 C CYS A 36 -22.155 -3.855 -2.123 1.00 0.00 C ATOM 532 O CYS A 36 -22.669 -3.452 -1.096 1.00 0.00 O ATOM 533 CB CYS A 36 -21.179 -1.583 -2.632 1.00 0.00 C ATOM 534 SG CYS A 36 -19.903 -0.711 -3.578 1.00 0.00 S ATOM 0 H CYS A 36 -20.026 -3.787 -4.551 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.080 -3.433 -2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.168 -1.301 -2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.128 -1.293 -1.582 1.00 0.00 H new ATOM 539 N ARG A 37 -22.573 -4.953 -2.708 1.00 0.00 N ATOM 540 CA ARG A 37 -23.703 -5.733 -2.121 1.00 0.00 C ATOM 541 C ARG A 37 -23.182 -7.041 -1.514 1.00 0.00 C ATOM 542 O ARG A 37 -22.276 -7.661 -2.038 1.00 0.00 O ATOM 543 CB ARG A 37 -24.648 -6.027 -3.291 1.00 0.00 C ATOM 544 CG ARG A 37 -25.239 -4.717 -3.826 1.00 0.00 C ATOM 545 CD ARG A 37 -26.622 -4.483 -3.207 1.00 0.00 C ATOM 546 NE ARG A 37 -27.403 -3.769 -4.259 1.00 0.00 N ATOM 547 CZ ARG A 37 -27.352 -2.466 -4.344 1.00 0.00 C ATOM 548 NH1 ARG A 37 -26.406 -1.894 -5.043 1.00 0.00 N ATOM 549 NH2 ARG A 37 -28.245 -1.737 -3.726 1.00 0.00 N ATOM 0 H ARG A 37 -22.179 -5.340 -3.566 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.206 -5.185 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.108 -6.544 -4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.449 -6.691 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -24.578 -3.884 -3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.319 -4.760 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -27.097 -5.426 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.551 -3.888 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 37 -27.978 -4.299 -4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -25.709 -2.465 -5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -26.365 -0.877 -5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -28.980 -2.186 -3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -28.207 -0.720 -3.791 1.00 0.00 H new ATOM 563 N GLY A 38 -23.754 -7.461 -0.414 1.00 0.00 N ATOM 564 CA GLY A 38 -23.304 -8.730 0.237 1.00 0.00 C ATOM 565 C GLY A 38 -22.100 -8.470 1.157 1.00 0.00 C ATOM 566 O GLY A 38 -21.350 -9.376 1.467 1.00 0.00 O ATOM 0 H GLY A 38 -24.516 -6.979 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.123 -9.159 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.034 -9.460 -0.526 1.00 0.00 H new ATOM 570 N ILE A 39 -21.913 -7.248 1.607 1.00 0.00 N ATOM 571 CA ILE A 39 -20.763 -6.948 2.515 1.00 0.00 C ATOM 572 C ILE A 39 -21.230 -6.077 3.686 1.00 0.00 C ATOM 573 O ILE A 39 -22.225 -5.379 3.600 1.00 0.00 O ATOM 574 CB ILE A 39 -19.720 -6.206 1.661 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.288 -4.864 1.181 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.337 -7.064 0.451 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.249 -4.143 0.317 1.00 0.00 C ATOM 0 H ILE A 39 -22.507 -6.450 1.383 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.339 -7.858 2.941 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.834 -6.020 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.201 -5.028 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.556 -4.245 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.598 -6.535 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.916 -8.009 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.224 -7.259 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.656 -3.190 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.348 -3.964 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.003 -4.760 -0.547 1.00 0.00 H new ATOM 589 N SER A 40 -20.515 -6.119 4.778 1.00 0.00 N ATOM 590 CA SER A 40 -20.900 -5.305 5.967 1.00 0.00 C ATOM 591 C SER A 40 -20.568 -3.830 5.737 1.00 0.00 C ATOM 592 O SER A 40 -19.833 -3.483 4.831 1.00 0.00 O ATOM 593 CB SER A 40 -20.064 -5.857 7.121 1.00 0.00 C ATOM 594 OG SER A 40 -20.381 -7.227 7.323 1.00 0.00 O ATOM 0 H SER A 40 -19.676 -6.686 4.898 1.00 0.00 H new ATOM 0 HA SER A 40 -21.970 -5.365 6.168 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.002 -5.747 6.900 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.261 -5.289 8.031 1.00 0.00 H new ATOM 0 HG SER A 40 -19.598 -7.778 7.113 1.00 0.00 H new ATOM 600 N PHE A 41 -21.098 -2.965 6.563 1.00 0.00 N ATOM 601 CA PHE A 41 -20.812 -1.505 6.418 1.00 0.00 C ATOM 602 C PHE A 41 -19.307 -1.259 6.560 1.00 0.00 C ATOM 603 O PHE A 41 -18.703 -0.596 5.742 1.00 0.00 O ATOM 604 CB PHE A 41 -21.586 -0.829 7.559 1.00 0.00 C ATOM 605 CG PHE A 41 -21.460 0.676 7.458 1.00 0.00 C ATOM 606 CD1 PHE A 41 -21.670 1.323 6.232 1.00 0.00 C ATOM 607 CD2 PHE A 41 -21.136 1.426 8.597 1.00 0.00 C ATOM 608 CE1 PHE A 41 -21.556 2.715 6.147 1.00 0.00 C ATOM 609 CE2 PHE A 41 -21.023 2.818 8.510 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.233 3.463 7.285 1.00 0.00 C ATOM 0 H PHE A 41 -21.719 -3.208 7.335 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.111 -1.113 5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.636 -1.117 7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.202 -1.169 8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -21.920 0.747 5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.974 0.929 9.542 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -21.717 3.213 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.774 3.395 9.388 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.146 4.537 7.218 1.00 0.00 H new ATOM 620 N SER A 42 -18.700 -1.804 7.587 1.00 0.00 N ATOM 621 CA SER A 42 -17.228 -1.617 7.778 1.00 0.00 C ATOM 622 C SER A 42 -16.463 -2.239 6.606 1.00 0.00 C ATOM 623 O SER A 42 -15.453 -1.718 6.173 1.00 0.00 O ATOM 624 CB SER A 42 -16.889 -2.335 9.085 1.00 0.00 C ATOM 625 OG SER A 42 -15.758 -1.710 9.680 1.00 0.00 O ATOM 0 H SER A 42 -19.160 -2.370 8.300 1.00 0.00 H new ATOM 0 HA SER A 42 -16.951 -0.563 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.740 -2.299 9.765 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.679 -3.387 8.893 1.00 0.00 H new ATOM 0 HG SER A 42 -15.537 -2.165 10.519 1.00 0.00 H new ATOM 631 N GLN A 43 -16.944 -3.338 6.074 1.00 0.00 N ATOM 632 CA GLN A 43 -16.248 -3.973 4.912 1.00 0.00 C ATOM 633 C GLN A 43 -16.279 -3.014 3.722 1.00 0.00 C ATOM 634 O GLN A 43 -15.278 -2.784 3.068 1.00 0.00 O ATOM 635 CB GLN A 43 -17.050 -5.241 4.602 1.00 0.00 C ATOM 636 CG GLN A 43 -16.269 -6.469 5.065 1.00 0.00 C ATOM 637 CD GLN A 43 -17.244 -7.599 5.406 1.00 0.00 C ATOM 638 OE1 GLN A 43 -17.645 -7.748 6.544 1.00 0.00 O ATOM 639 NE2 GLN A 43 -17.649 -8.408 4.464 1.00 0.00 N ATOM 0 H GLN A 43 -17.784 -3.820 6.393 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.204 -4.205 5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -18.017 -5.203 5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.248 -5.306 3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.582 -6.792 4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.665 -6.221 5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -17.315 -8.286 3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -18.300 -9.162 4.684 1.00 0.00 H new ATOM 648 N ALA A 44 -17.424 -2.436 3.455 1.00 0.00 N ATOM 649 CA ALA A 44 -17.537 -1.469 2.324 1.00 0.00 C ATOM 650 C ALA A 44 -16.813 -0.164 2.689 1.00 0.00 C ATOM 651 O ALA A 44 -16.242 0.499 1.843 1.00 0.00 O ATOM 652 CB ALA A 44 -19.041 -1.232 2.149 1.00 0.00 C ATOM 0 H ALA A 44 -18.287 -2.594 3.975 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.084 -1.840 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.206 -0.529 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.534 -2.177 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.454 -0.821 3.070 1.00 0.00 H new ATOM 658 N ARG A 45 -16.830 0.192 3.953 1.00 0.00 N ATOM 659 CA ARG A 45 -16.144 1.437 4.408 1.00 0.00 C ATOM 660 C ARG A 45 -14.621 1.283 4.296 1.00 0.00 C ATOM 661 O ARG A 45 -13.921 2.217 3.946 1.00 0.00 O ATOM 662 CB ARG A 45 -16.551 1.602 5.876 1.00 0.00 C ATOM 663 CG ARG A 45 -17.728 2.575 5.981 1.00 0.00 C ATOM 664 CD ARG A 45 -17.705 3.262 7.350 1.00 0.00 C ATOM 665 NE ARG A 45 -16.631 4.292 7.251 1.00 0.00 N ATOM 666 CZ ARG A 45 -15.450 4.059 7.761 1.00 0.00 C ATOM 667 NH1 ARG A 45 -15.288 4.056 9.059 1.00 0.00 N ATOM 668 NH2 ARG A 45 -14.431 3.836 6.971 1.00 0.00 N ATOM 0 H ARG A 45 -17.295 -0.334 4.693 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.423 2.300 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.828 0.635 6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.707 1.973 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.669 3.320 5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.668 2.040 5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.668 3.718 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.494 2.548 8.146 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.818 5.180 6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.083 4.235 9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.367 3.874 9.458 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.559 3.844 5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.509 3.654 7.367 1.00 0.00 H new ATOM 682 N SER A 46 -14.103 0.116 4.600 1.00 0.00 N ATOM 683 CA SER A 46 -12.623 -0.098 4.521 1.00 0.00 C ATOM 684 C SER A 46 -12.142 -0.037 3.064 1.00 0.00 C ATOM 685 O SER A 46 -11.097 0.514 2.776 1.00 0.00 O ATOM 686 CB SER A 46 -12.386 -1.493 5.105 1.00 0.00 C ATOM 687 OG SER A 46 -11.009 -1.638 5.436 1.00 0.00 O ATOM 0 H SER A 46 -14.641 -0.697 4.899 1.00 0.00 H new ATOM 0 HA SER A 46 -12.074 0.671 5.064 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.002 -1.637 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.681 -2.256 4.385 1.00 0.00 H new ATOM 0 HG SER A 46 -10.855 -2.530 5.812 1.00 0.00 H new ATOM 693 N CYS A 47 -12.892 -0.605 2.145 1.00 0.00 N ATOM 694 CA CYS A 47 -12.467 -0.583 0.710 1.00 0.00 C ATOM 695 C CYS A 47 -12.551 0.834 0.128 1.00 0.00 C ATOM 696 O CYS A 47 -11.779 1.192 -0.738 1.00 0.00 O ATOM 697 CB CYS A 47 -13.433 -1.509 -0.026 1.00 0.00 C ATOM 698 SG CYS A 47 -12.908 -1.652 -1.751 1.00 0.00 S ATOM 0 H CYS A 47 -13.776 -1.080 2.328 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.431 -0.906 0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.447 -2.491 0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.448 -1.115 0.028 1.00 0.00 H new ATOM 703 N CYS A 48 -13.480 1.639 0.586 1.00 0.00 N ATOM 704 CA CYS A 48 -13.595 3.030 0.041 1.00 0.00 C ATOM 705 C CYS A 48 -12.282 3.793 0.249 1.00 0.00 C ATOM 706 O CYS A 48 -11.822 4.504 -0.623 1.00 0.00 O ATOM 707 CB CYS A 48 -14.725 3.686 0.834 1.00 0.00 C ATOM 708 SG CYS A 48 -14.826 5.446 0.414 1.00 0.00 S ATOM 0 H CYS A 48 -14.159 1.396 1.308 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.799 3.031 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.672 3.194 0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.548 3.567 1.903 1.00 0.00 H new ATOM 713 N SER A 49 -11.678 3.650 1.401 1.00 0.00 N ATOM 714 CA SER A 49 -10.395 4.367 1.668 1.00 0.00 C ATOM 715 C SER A 49 -9.199 3.580 1.113 1.00 0.00 C ATOM 716 O SER A 49 -8.155 4.141 0.846 1.00 0.00 O ATOM 717 CB SER A 49 -10.308 4.470 3.191 1.00 0.00 C ATOM 718 OG SER A 49 -9.165 5.236 3.548 1.00 0.00 O ATOM 0 H SER A 49 -12.017 3.069 2.167 1.00 0.00 H new ATOM 0 HA SER A 49 -10.371 5.344 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.210 4.936 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.244 3.475 3.631 1.00 0.00 H new ATOM 0 HG SER A 49 -9.109 5.304 4.524 1.00 0.00 H new ATOM 724 N ARG A 50 -9.338 2.288 0.946 1.00 0.00 N ATOM 725 CA ARG A 50 -8.200 1.471 0.420 1.00 0.00 C ATOM 726 C ARG A 50 -8.173 1.475 -1.116 1.00 0.00 C ATOM 727 O ARG A 50 -7.117 1.401 -1.718 1.00 0.00 O ATOM 728 CB ARG A 50 -8.448 0.051 0.941 1.00 0.00 C ATOM 729 CG ARG A 50 -8.183 -0.004 2.449 1.00 0.00 C ATOM 730 CD ARG A 50 -6.706 -0.321 2.707 1.00 0.00 C ATOM 731 NE ARG A 50 -6.669 -0.963 4.057 1.00 0.00 N ATOM 732 CZ ARG A 50 -7.145 -0.331 5.100 1.00 0.00 C ATOM 733 NH1 ARG A 50 -6.436 0.608 5.673 1.00 0.00 N ATOM 734 NH2 ARG A 50 -8.326 -0.640 5.568 1.00 0.00 N ATOM 0 H ARG A 50 -10.189 1.764 1.151 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.241 1.872 0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.475 -0.248 0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.799 -0.655 0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.445 0.949 2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.813 -0.764 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.308 -0.989 1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.100 0.585 2.686 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.272 -1.896 4.166 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.514 0.846 5.307 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.805 1.102 6.486 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.876 -1.373 5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.697 -0.148 6.381 1.00 0.00 H new ATOM 748 N LEU A 51 -9.316 1.538 -1.757 1.00 0.00 N ATOM 749 CA LEU A 51 -9.338 1.518 -3.255 1.00 0.00 C ATOM 750 C LEU A 51 -10.365 2.503 -3.836 1.00 0.00 C ATOM 751 O LEU A 51 -10.631 2.484 -5.024 1.00 0.00 O ATOM 752 CB LEU A 51 -9.731 0.080 -3.607 1.00 0.00 C ATOM 753 CG LEU A 51 -8.471 -0.769 -3.788 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.746 -2.196 -3.309 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.081 -0.796 -5.269 1.00 0.00 C ATOM 0 H LEU A 51 -10.231 1.602 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.376 1.819 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.354 -0.340 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.324 0.068 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.656 -0.339 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.849 -2.802 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.025 -2.179 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.560 -2.625 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.183 -1.401 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.895 -1.226 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.886 0.220 -5.613 1.00 0.00 H new ATOM 767 N GLY A 52 -10.951 3.356 -3.028 1.00 0.00 N ATOM 768 CA GLY A 52 -11.963 4.320 -3.564 1.00 0.00 C ATOM 769 C GLY A 52 -13.191 3.554 -4.080 1.00 0.00 C ATOM 770 O GLY A 52 -13.880 4.007 -4.974 1.00 0.00 O ATOM 0 H GLY A 52 -10.773 3.426 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.261 5.020 -2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.526 4.909 -4.370 1.00 0.00 H new ATOM 774 N ARG A 53 -13.466 2.393 -3.528 1.00 0.00 N ATOM 775 CA ARG A 53 -14.641 1.593 -3.991 1.00 0.00 C ATOM 776 C ARG A 53 -15.690 1.492 -2.878 1.00 0.00 C ATOM 777 O ARG A 53 -15.362 1.343 -1.717 1.00 0.00 O ATOM 778 CB ARG A 53 -14.076 0.209 -4.318 1.00 0.00 C ATOM 779 CG ARG A 53 -13.453 0.218 -5.720 1.00 0.00 C ATOM 780 CD ARG A 53 -14.349 -0.555 -6.697 1.00 0.00 C ATOM 781 NE ARG A 53 -13.408 -1.308 -7.582 1.00 0.00 N ATOM 782 CZ ARG A 53 -12.869 -0.723 -8.621 1.00 0.00 C ATOM 783 NH1 ARG A 53 -11.852 0.084 -8.464 1.00 0.00 N ATOM 784 NH2 ARG A 53 -13.341 -0.954 -9.819 1.00 0.00 N ATOM 0 H ARG A 53 -12.924 1.967 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.133 2.048 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.326 -0.071 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.868 -0.538 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.326 1.244 -6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.461 -0.233 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.017 -1.233 -6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.976 0.123 -7.276 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.185 -2.282 -7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.478 0.258 -7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.433 0.540 -9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.129 -1.590 -9.943 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.921 -0.498 -10.629 1.00 0.00 H new ATOM 798 N CYS A 54 -16.949 1.589 -3.236 1.00 0.00 N ATOM 799 CA CYS A 54 -18.059 1.517 -2.229 1.00 0.00 C ATOM 800 C CYS A 54 -17.944 2.700 -1.270 1.00 0.00 C ATOM 801 O CYS A 54 -17.896 2.547 -0.063 1.00 0.00 O ATOM 802 CB CYS A 54 -17.892 0.179 -1.493 1.00 0.00 C ATOM 803 SG CYS A 54 -18.173 -1.188 -2.647 1.00 0.00 S ATOM 0 H CYS A 54 -17.260 1.717 -4.199 1.00 0.00 H new ATOM 0 HA CYS A 54 -19.044 1.569 -2.694 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.891 0.109 -1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.596 0.118 -0.663 1.00 0.00 H new ATOM 808 N CYS A 55 -17.877 3.883 -1.817 1.00 0.00 N ATOM 809 CA CYS A 55 -17.736 5.106 -0.979 1.00 0.00 C ATOM 810 C CYS A 55 -19.092 5.788 -0.732 1.00 0.00 C ATOM 811 O CYS A 55 -19.204 6.637 0.133 1.00 0.00 O ATOM 812 CB CYS A 55 -16.815 6.010 -1.797 1.00 0.00 C ATOM 813 SG CYS A 55 -15.099 5.471 -1.588 1.00 0.00 S ATOM 0 H CYS A 55 -17.915 4.055 -2.822 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.341 4.880 0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.093 5.973 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.924 7.045 -1.475 1.00 0.00 H new ATOM 818 N HIS A 56 -20.118 5.439 -1.473 1.00 0.00 N ATOM 819 CA HIS A 56 -21.445 6.084 -1.262 1.00 0.00 C ATOM 820 C HIS A 56 -22.522 5.032 -0.955 1.00 0.00 C ATOM 821 O HIS A 56 -23.632 5.106 -1.450 1.00 0.00 O ATOM 822 CB HIS A 56 -21.747 6.806 -2.577 1.00 0.00 C ATOM 823 CG HIS A 56 -22.515 8.068 -2.291 1.00 0.00 C ATOM 824 ND1 HIS A 56 -22.127 9.299 -2.791 1.00 0.00 N ATOM 825 CD2 HIS A 56 -23.650 8.304 -1.553 1.00 0.00 C ATOM 826 CE1 HIS A 56 -23.011 10.213 -2.354 1.00 0.00 C ATOM 827 NE2 HIS A 56 -23.961 9.660 -1.594 1.00 0.00 N ATOM 0 H HIS A 56 -20.090 4.737 -2.212 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.437 6.768 -0.413 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.818 7.043 -3.096 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.324 6.158 -3.236 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.215 7.552 -1.022 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -22.960 11.266 -2.589 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -24.745 10.130 -1.142 1.00 0.00 H new ATOM 835 N VAL A 57 -22.206 4.061 -0.137 1.00 0.00 N ATOM 836 CA VAL A 57 -23.214 3.014 0.212 1.00 0.00 C ATOM 837 C VAL A 57 -23.656 3.187 1.668 1.00 0.00 C ATOM 838 O VAL A 57 -22.900 2.942 2.589 1.00 0.00 O ATOM 839 CB VAL A 57 -22.497 1.673 0.013 1.00 0.00 C ATOM 840 CG1 VAL A 57 -23.376 0.533 0.535 1.00 0.00 C ATOM 841 CG2 VAL A 57 -22.226 1.459 -1.480 1.00 0.00 C ATOM 0 H VAL A 57 -21.294 3.948 0.305 1.00 0.00 H new ATOM 0 HA VAL A 57 -24.110 3.078 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.555 1.684 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.862 -0.418 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.573 0.682 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.319 0.522 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.716 0.506 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -23.171 1.451 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -21.598 2.267 -1.855 1.00 0.00 H new ATOM 851 N GLY A 58 -24.875 3.615 1.876 1.00 0.00 N ATOM 852 CA GLY A 58 -25.379 3.816 3.267 1.00 0.00 C ATOM 853 C GLY A 58 -24.736 5.068 3.864 1.00 0.00 C ATOM 854 O GLY A 58 -23.691 5.003 4.484 1.00 0.00 O ATOM 0 H GLY A 58 -25.545 3.835 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.464 3.919 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.144 2.946 3.880 1.00 0.00 H new ATOM 858 N LYS A 59 -25.354 6.209 3.678 1.00 0.00 N ATOM 859 CA LYS A 59 -24.783 7.476 4.232 1.00 0.00 C ATOM 860 C LYS A 59 -24.781 7.427 5.765 1.00 0.00 C ATOM 861 O LYS A 59 -25.820 7.475 6.398 1.00 0.00 O ATOM 862 CB LYS A 59 -25.701 8.594 3.724 1.00 0.00 C ATOM 863 CG LYS A 59 -25.381 8.900 2.257 1.00 0.00 C ATOM 864 CD LYS A 59 -24.358 10.038 2.177 1.00 0.00 C ATOM 865 CE LYS A 59 -25.090 11.380 2.062 1.00 0.00 C ATOM 866 NZ LYS A 59 -24.118 12.402 2.548 1.00 0.00 N ATOM 0 H LYS A 59 -26.230 6.317 3.166 1.00 0.00 H new ATOM 0 HA LYS A 59 -23.751 7.634 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.744 8.294 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -25.568 9.490 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -24.987 8.009 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -26.292 9.179 1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.723 10.033 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.705 9.894 1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -25.388 11.579 1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.999 11.385 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.552 13.346 2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.858 12.193 3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.265 12.381 1.953 1.00 0.00 H new ATOM 880 N GLY A 60 -23.618 7.322 6.360 1.00 0.00 N ATOM 881 CA GLY A 60 -23.535 7.258 7.850 1.00 0.00 C ATOM 882 C GLY A 60 -23.988 5.875 8.330 1.00 0.00 C ATOM 883 O GLY A 60 -24.301 5.003 7.539 1.00 0.00 O ATOM 0 H GLY A 60 -22.721 7.278 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -22.513 7.451 8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -24.162 8.032 8.293 1.00 0.00 H new ATOM 887 N TYR A 61 -24.031 5.668 9.622 1.00 0.00 N ATOM 888 CA TYR A 61 -24.469 4.344 10.154 1.00 0.00 C ATOM 889 C TYR A 61 -25.998 4.236 10.104 1.00 0.00 C ATOM 890 O TYR A 61 -26.703 5.224 10.207 1.00 0.00 O ATOM 891 CB TYR A 61 -23.970 4.298 11.604 1.00 0.00 C ATOM 892 CG TYR A 61 -24.527 3.073 12.293 1.00 0.00 C ATOM 893 CD1 TYR A 61 -24.023 1.805 11.982 1.00 0.00 C ATOM 894 CD2 TYR A 61 -25.553 3.207 13.237 1.00 0.00 C ATOM 895 CE1 TYR A 61 -24.543 0.670 12.616 1.00 0.00 C ATOM 896 CE2 TYR A 61 -26.073 2.073 13.870 1.00 0.00 C ATOM 897 CZ TYR A 61 -25.568 0.804 13.560 1.00 0.00 C ATOM 898 OH TYR A 61 -26.078 -0.313 14.185 1.00 0.00 O ATOM 0 H TYR A 61 -23.782 6.359 10.330 1.00 0.00 H new ATOM 0 HA TYR A 61 -24.071 3.516 9.568 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -22.880 4.275 11.624 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -24.279 5.198 12.135 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -23.233 1.702 11.253 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -25.943 4.185 13.476 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -24.153 -0.308 12.377 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -26.864 2.176 14.598 1.00 0.00 H new ATOM 0 HH TYR A 61 -26.963 -0.518 13.818 1.00 0.00 H new ATOM 908 N SER A 62 -26.508 3.043 9.951 1.00 0.00 N ATOM 909 CA SER A 62 -27.988 2.851 9.897 1.00 0.00 C ATOM 910 C SER A 62 -28.376 1.525 10.560 1.00 0.00 C ATOM 911 O SER A 62 -27.579 0.611 10.658 1.00 0.00 O ATOM 912 CB SER A 62 -28.351 2.835 8.409 1.00 0.00 C ATOM 913 OG SER A 62 -27.329 2.177 7.667 1.00 0.00 O ATOM 0 H SER A 62 -25.960 2.188 9.860 1.00 0.00 H new ATOM 0 HA SER A 62 -28.518 3.641 10.429 1.00 0.00 H new ATOM 0 HB2 SER A 62 -29.303 2.325 8.264 1.00 0.00 H new ATOM 0 HB3 SER A 62 -28.477 3.855 8.046 1.00 0.00 H new ATOM 0 HG SER A 62 -27.568 2.169 6.717 1.00 0.00 H new ATOM 919 N GLY A 63 -29.598 1.421 11.014 1.00 0.00 N ATOM 920 CA GLY A 63 -30.056 0.162 11.675 1.00 0.00 C ATOM 921 C GLY A 63 -29.348 0.002 13.023 1.00 0.00 C ATOM 922 O GLY A 63 -28.622 -0.965 13.178 1.00 0.00 O ATOM 923 OXT GLY A 63 -29.541 0.853 13.877 1.00 0.00 O ATOM 0 H GLY A 63 -30.302 2.157 10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -31.136 0.188 11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -29.841 -0.695 11.036 1.00 0.00 H new TER 927 GLY A 63