USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 415 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 21 SER OG : rot -83:sc= 0.337 USER MOD Set 1.2: A 57 SER OG : rot 57:sc= 1.27 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -154:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 17 TYR OH : rot 180:sc= 1.03 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0801 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00679 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -78:sc= 1.12 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0948 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 42 SER OG : rot 16:sc= 0.411 USER MOD Single : A 52 SER OG : rot 90:sc= 1.04 USER MOD Single : A 53 GLN : amide:sc= 0.0468 K(o=0.047,f=-2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= 1.18 (180deg=0.865) USER MOD Single : A 66 THR OG1 : rot -98:sc= 0.246 USER MOD Single : A 67 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.164 X(o=0.16,f=-0.28) USER MOD Single : A 79 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.078 7.213 7.033 1.00 0.00 N ATOM 2 CA ALA A 1 -8.184 6.057 6.789 1.00 0.00 C ATOM 3 C ALA A 1 -8.969 4.755 6.813 1.00 0.00 C ATOM 4 O ALA A 1 -10.048 4.680 7.404 1.00 0.00 O ATOM 5 CB ALA A 1 -7.069 6.020 7.825 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.150 7.785 6.167 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.023 6.871 7.301 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.690 7.796 7.802 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.739 6.172 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.421 5.165 7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.485 6.939 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.501 5.930 8.822 1.00 0.00 H new ATOM 13 N THR A 2 -8.431 3.735 6.168 1.00 0.00 N ATOM 14 CA THR A 2 -9.047 2.424 6.172 1.00 0.00 C ATOM 15 C THR A 2 -8.546 1.609 7.354 1.00 0.00 C ATOM 16 O THR A 2 -7.385 1.200 7.394 1.00 0.00 O ATOM 17 CB THR A 2 -8.755 1.662 4.868 1.00 0.00 C ATOM 18 OG1 THR A 2 -8.873 2.554 3.747 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.705 0.481 4.696 1.00 0.00 C ATOM 0 H THR A 2 -7.565 3.792 5.633 1.00 0.00 H new ATOM 0 HA THR A 2 -10.124 2.568 6.255 1.00 0.00 H new ATOM 0 HB THR A 2 -7.738 1.274 4.919 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.685 2.065 2.919 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.475 -0.039 3.766 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.587 -0.206 5.534 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.733 0.842 4.665 1.00 0.00 H new ATOM 27 N THR A 3 -9.416 1.405 8.328 1.00 0.00 N ATOM 28 CA THR A 3 -9.090 0.584 9.478 1.00 0.00 C ATOM 29 C THR A 3 -9.230 -0.890 9.123 1.00 0.00 C ATOM 30 O THR A 3 -10.332 -1.370 8.841 1.00 0.00 O ATOM 31 CB THR A 3 -9.995 0.918 10.684 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.452 2.278 10.597 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.241 0.712 11.991 1.00 0.00 C ATOM 0 H THR A 3 -10.357 1.799 8.344 1.00 0.00 H new ATOM 0 HA THR A 3 -8.058 0.796 9.758 1.00 0.00 H new ATOM 0 HB THR A 3 -10.855 0.248 10.665 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.026 2.480 11.365 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.894 0.952 12.830 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.921 -0.327 12.066 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.367 1.363 12.014 1.00 0.00 H new ATOM 41 N ILE A 4 -8.106 -1.597 9.112 1.00 0.00 N ATOM 42 CA ILE A 4 -8.095 -3.003 8.740 1.00 0.00 C ATOM 43 C ILE A 4 -8.759 -3.848 9.819 1.00 0.00 C ATOM 44 O ILE A 4 -8.230 -4.001 10.923 1.00 0.00 O ATOM 45 CB ILE A 4 -6.657 -3.515 8.484 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.974 -2.660 7.412 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.687 -4.977 8.061 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.460 -2.698 7.475 1.00 0.00 C ATOM 0 H ILE A 4 -7.191 -1.218 9.357 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.659 -3.097 7.812 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.085 -3.434 9.408 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.296 -3.001 6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.307 -1.627 7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.670 -5.325 7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.143 -5.575 8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.270 -5.079 7.146 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.047 -2.069 6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.127 -2.329 8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.116 -3.723 7.339 1.00 0.00 H new ATOM 60 N GLY A 5 -9.936 -4.370 9.500 1.00 0.00 N ATOM 61 CA GLY A 5 -10.653 -5.212 10.430 1.00 0.00 C ATOM 62 C GLY A 5 -10.478 -6.683 10.114 1.00 0.00 C ATOM 63 O GLY A 5 -9.708 -7.038 9.220 1.00 0.00 O ATOM 0 H GLY A 5 -10.407 -4.222 8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.302 -5.014 11.443 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.713 -4.959 10.405 1.00 0.00 H new ATOM 67 N PRO A 6 -11.203 -7.566 10.815 1.00 0.00 N ATOM 68 CA PRO A 6 -11.053 -9.014 10.669 1.00 0.00 C ATOM 69 C PRO A 6 -11.850 -9.593 9.502 1.00 0.00 C ATOM 70 O PRO A 6 -11.947 -10.810 9.350 1.00 0.00 O ATOM 71 CB PRO A 6 -11.605 -9.533 11.992 1.00 0.00 C ATOM 72 CG PRO A 6 -12.676 -8.560 12.355 1.00 0.00 C ATOM 73 CD PRO A 6 -12.235 -7.222 11.815 1.00 0.00 C ATOM 0 HA PRO A 6 -10.022 -9.296 10.456 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.004 -10.542 11.888 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.830 -9.574 12.757 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.633 -8.857 11.925 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.812 -8.517 13.436 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.065 -6.680 11.362 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.832 -6.586 12.603 1.00 0.00 H new ATOM 81 N ASN A 7 -12.428 -8.728 8.685 1.00 0.00 N ATOM 82 CA ASN A 7 -13.215 -9.171 7.541 1.00 0.00 C ATOM 83 C ASN A 7 -12.789 -8.421 6.290 1.00 0.00 C ATOM 84 O ASN A 7 -13.609 -8.097 5.430 1.00 0.00 O ATOM 85 CB ASN A 7 -14.707 -8.959 7.802 1.00 0.00 C ATOM 86 CG ASN A 7 -15.455 -10.265 8.005 1.00 0.00 C ATOM 87 OD1 ASN A 7 -16.268 -10.671 7.170 1.00 0.00 O ATOM 88 ND2 ASN A 7 -15.186 -10.929 9.117 1.00 0.00 N ATOM 0 H ASN A 7 -12.368 -7.715 8.791 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.038 -10.236 7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.832 -8.332 8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.146 -8.420 6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.658 -11.812 9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.507 -10.558 9.781 1.00 0.00 H new ATOM 95 N THR A 8 -11.496 -8.152 6.202 1.00 0.00 N ATOM 96 CA THR A 8 -10.934 -7.387 5.102 1.00 0.00 C ATOM 97 C THR A 8 -10.972 -8.177 3.800 1.00 0.00 C ATOM 98 O THR A 8 -11.407 -7.674 2.759 1.00 0.00 O ATOM 99 CB THR A 8 -9.478 -7.020 5.414 1.00 0.00 C ATOM 100 OG1 THR A 8 -9.059 -7.711 6.601 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.323 -5.522 5.607 1.00 0.00 C ATOM 0 H THR A 8 -10.808 -8.458 6.890 1.00 0.00 H new ATOM 0 HA THR A 8 -11.535 -6.486 4.984 1.00 0.00 H new ATOM 0 HB THR A 8 -8.854 -7.319 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.416 -7.252 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.281 -5.289 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.626 -5.005 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.951 -5.195 6.436 1.00 0.00 H new ATOM 109 N CYS A 9 -10.520 -9.417 3.874 1.00 0.00 N ATOM 110 CA CYS A 9 -10.415 -10.266 2.702 1.00 0.00 C ATOM 111 C CYS A 9 -11.670 -11.109 2.520 1.00 0.00 C ATOM 112 O CYS A 9 -12.074 -11.840 3.426 1.00 0.00 O ATOM 113 CB CYS A 9 -9.193 -11.178 2.820 1.00 0.00 C ATOM 114 SG CYS A 9 -7.605 -10.289 2.892 1.00 0.00 S ATOM 0 H CYS A 9 -10.218 -9.860 4.742 1.00 0.00 H new ATOM 0 HA CYS A 9 -10.304 -9.622 1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.295 -11.790 3.716 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -9.178 -11.859 1.969 1.00 0.00 H new ATOM 119 N SER A 10 -12.285 -11.001 1.349 1.00 0.00 N ATOM 120 CA SER A 10 -13.434 -11.824 0.999 1.00 0.00 C ATOM 121 C SER A 10 -12.981 -13.172 0.432 1.00 0.00 C ATOM 122 O SER A 10 -13.740 -13.881 -0.232 1.00 0.00 O ATOM 123 CB SER A 10 -14.303 -11.083 -0.014 1.00 0.00 C ATOM 124 OG SER A 10 -13.770 -9.795 -0.286 1.00 0.00 O ATOM 0 H SER A 10 -12.003 -10.345 0.620 1.00 0.00 H new ATOM 0 HA SER A 10 -14.019 -12.017 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.365 -11.659 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.318 -10.988 0.371 1.00 0.00 H new ATOM 0 HG SER A 10 -14.340 -9.336 -0.938 1.00 0.00 H new ATOM 130 N ILE A 11 -11.725 -13.506 0.692 1.00 0.00 N ATOM 131 CA ILE A 11 -11.155 -14.776 0.280 1.00 0.00 C ATOM 132 C ILE A 11 -10.626 -15.502 1.509 1.00 0.00 C ATOM 133 O ILE A 11 -10.376 -14.870 2.536 1.00 0.00 O ATOM 134 CB ILE A 11 -10.014 -14.600 -0.749 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.083 -13.222 -1.417 1.00 0.00 C ATOM 136 CG2 ILE A 11 -10.086 -15.694 -1.799 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.007 -12.268 -0.948 1.00 0.00 C ATOM 0 H ILE A 11 -11.074 -12.903 1.195 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.941 -15.357 -0.203 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.064 -14.674 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.001 -13.346 -2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.060 -12.780 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.278 -15.561 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.987 -16.667 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.045 -15.640 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.117 -11.314 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.101 -12.114 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.026 -12.688 -1.170 1.00 0.00 H new ATOM 149 N ASP A 12 -10.449 -16.814 1.403 1.00 0.00 N ATOM 150 CA ASP A 12 -10.123 -17.640 2.565 1.00 0.00 C ATOM 151 C ASP A 12 -8.713 -17.380 3.096 1.00 0.00 C ATOM 152 O ASP A 12 -8.512 -16.517 3.954 1.00 0.00 O ATOM 153 CB ASP A 12 -10.288 -19.123 2.237 1.00 0.00 C ATOM 154 CG ASP A 12 -10.725 -19.930 3.443 1.00 0.00 C ATOM 155 OD1 ASP A 12 -11.536 -19.420 4.246 1.00 0.00 O ATOM 156 OD2 ASP A 12 -10.264 -21.080 3.595 1.00 0.00 O ATOM 0 H ASP A 12 -10.525 -17.330 0.527 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.825 -17.360 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.022 -19.238 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.344 -19.517 1.860 1.00 0.00 H new ATOM 161 N ASP A 13 -7.739 -18.116 2.582 1.00 0.00 N ATOM 162 CA ASP A 13 -6.378 -18.063 3.112 1.00 0.00 C ATOM 163 C ASP A 13 -5.596 -16.912 2.504 1.00 0.00 C ATOM 164 O ASP A 13 -4.787 -17.097 1.592 1.00 0.00 O ATOM 165 CB ASP A 13 -5.644 -19.380 2.864 1.00 0.00 C ATOM 166 CG ASP A 13 -4.490 -19.576 3.827 1.00 0.00 C ATOM 167 OD1 ASP A 13 -4.747 -19.887 5.008 1.00 0.00 O ATOM 168 OD2 ASP A 13 -3.321 -19.417 3.413 1.00 0.00 O ATOM 0 H ASP A 13 -7.862 -18.758 1.799 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.452 -17.900 4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.344 -20.210 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.270 -19.399 1.840 1.00 0.00 H new ATOM 173 N TYR A 14 -5.843 -15.721 3.016 1.00 0.00 N ATOM 174 CA TYR A 14 -5.174 -14.528 2.530 1.00 0.00 C ATOM 175 C TYR A 14 -4.917 -13.565 3.672 1.00 0.00 C ATOM 176 O TYR A 14 -5.765 -13.387 4.548 1.00 0.00 O ATOM 177 CB TYR A 14 -6.018 -13.847 1.455 1.00 0.00 C ATOM 178 CG TYR A 14 -5.791 -14.410 0.075 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.628 -14.133 -0.626 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.742 -15.222 -0.524 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.416 -14.650 -1.889 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.540 -15.742 -1.785 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.376 -15.452 -2.464 1.00 0.00 C ATOM 184 OH TYR A 14 -5.179 -15.967 -3.724 1.00 0.00 O ATOM 0 H TYR A 14 -6.506 -15.553 3.773 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.219 -14.822 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.072 -13.948 1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.792 -12.781 1.447 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.875 -13.502 -0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.655 -15.451 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.504 -14.427 -2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.290 -16.373 -2.238 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.952 -16.512 -3.979 1.00 0.00 H new ATOM 194 N LYS A 15 -3.742 -12.957 3.667 1.00 0.00 N ATOM 195 CA LYS A 15 -3.396 -11.982 4.684 1.00 0.00 C ATOM 196 C LYS A 15 -3.422 -10.583 4.090 1.00 0.00 C ATOM 197 O LYS A 15 -2.991 -10.380 2.951 1.00 0.00 O ATOM 198 CB LYS A 15 -2.016 -12.275 5.291 1.00 0.00 C ATOM 199 CG LYS A 15 -1.148 -13.199 4.450 1.00 0.00 C ATOM 200 CD LYS A 15 -0.429 -14.230 5.308 1.00 0.00 C ATOM 201 CE LYS A 15 0.766 -13.628 6.028 1.00 0.00 C ATOM 202 NZ LYS A 15 1.993 -13.659 5.189 1.00 0.00 N ATOM 0 H LYS A 15 -3.015 -13.122 2.971 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.134 -12.048 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.488 -11.333 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.152 -12.720 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.767 -13.708 3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.415 -12.609 3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.124 -14.643 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.097 -15.057 4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.542 -12.598 6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.945 -14.175 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.833 -13.669 5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.987 -14.513 4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.019 -12.816 4.581 1.00 0.00 H new ATOM 216 N PRO A 16 -3.954 -9.608 4.836 1.00 0.00 N ATOM 217 CA PRO A 16 -4.022 -8.222 4.390 1.00 0.00 C ATOM 218 C PRO A 16 -2.646 -7.575 4.367 1.00 0.00 C ATOM 219 O PRO A 16 -1.858 -7.721 5.304 1.00 0.00 O ATOM 220 CB PRO A 16 -4.923 -7.536 5.430 1.00 0.00 C ATOM 221 CG PRO A 16 -5.516 -8.639 6.242 1.00 0.00 C ATOM 222 CD PRO A 16 -4.538 -9.773 6.171 1.00 0.00 C ATOM 0 HA PRO A 16 -4.406 -8.139 3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.348 -6.854 6.057 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.700 -6.945 4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.674 -8.323 7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.488 -8.936 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.783 -9.707 6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.029 -10.740 6.282 1.00 0.00 H new ATOM 230 N TYR A 17 -2.350 -6.889 3.286 1.00 0.00 N ATOM 231 CA TYR A 17 -1.090 -6.190 3.142 1.00 0.00 C ATOM 232 C TYR A 17 -1.339 -4.737 2.796 1.00 0.00 C ATOM 233 O TYR A 17 -2.173 -4.428 1.940 1.00 0.00 O ATOM 234 CB TYR A 17 -0.238 -6.835 2.054 1.00 0.00 C ATOM 235 CG TYR A 17 0.532 -8.046 2.521 1.00 0.00 C ATOM 236 CD1 TYR A 17 -0.078 -9.288 2.604 1.00 0.00 C ATOM 237 CD2 TYR A 17 1.870 -7.946 2.872 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.621 -10.400 3.027 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.581 -9.051 3.294 1.00 0.00 C ATOM 240 CZ TYR A 17 1.953 -10.277 3.370 1.00 0.00 C ATOM 241 OH TYR A 17 2.656 -11.386 3.789 1.00 0.00 O ATOM 0 H TYR A 17 -2.973 -6.799 2.483 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.555 -6.251 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.883 -7.124 1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.464 -6.096 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.119 -9.387 2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.364 -6.987 2.814 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.130 -11.360 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.623 -8.957 3.563 1.00 0.00 H new ATOM 0 HH TYR A 17 3.580 -11.130 3.991 1.00 0.00 H new ATOM 251 N CYS A 18 -0.618 -3.850 3.449 1.00 0.00 N ATOM 252 CA CYS A 18 -0.749 -2.434 3.176 1.00 0.00 C ATOM 253 C CYS A 18 0.253 -2.032 2.107 1.00 0.00 C ATOM 254 O CYS A 18 1.466 -2.046 2.337 1.00 0.00 O ATOM 255 CB CYS A 18 -0.539 -1.617 4.452 1.00 0.00 C ATOM 256 SG CYS A 18 -2.082 -1.221 5.335 1.00 0.00 S ATOM 0 H CYS A 18 0.063 -4.083 4.171 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.757 -2.231 2.814 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.120 -2.170 5.122 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.029 -0.688 4.197 1.00 0.00 H new ATOM 261 N CYS A 19 -0.257 -1.679 0.942 1.00 0.00 N ATOM 262 CA CYS A 19 0.586 -1.359 -0.193 1.00 0.00 C ATOM 263 C CYS A 19 0.433 0.099 -0.587 1.00 0.00 C ATOM 264 O CYS A 19 -0.678 0.591 -0.788 1.00 0.00 O ATOM 265 CB CYS A 19 0.238 -2.266 -1.374 1.00 0.00 C ATOM 266 SG CYS A 19 0.698 -4.011 -1.131 1.00 0.00 S ATOM 0 H CYS A 19 -1.257 -1.607 0.757 1.00 0.00 H new ATOM 0 HA CYS A 19 1.625 -1.526 0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.834 -2.207 -1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.738 -1.890 -2.267 1.00 0.00 H new ATOM 271 N GLN A 20 1.555 0.790 -0.690 1.00 0.00 N ATOM 272 CA GLN A 20 1.549 2.200 -1.040 1.00 0.00 C ATOM 273 C GLN A 20 1.535 2.372 -2.551 1.00 0.00 C ATOM 274 O GLN A 20 2.491 2.009 -3.238 1.00 0.00 O ATOM 275 CB GLN A 20 2.768 2.905 -0.443 1.00 0.00 C ATOM 276 CG GLN A 20 2.880 2.756 1.065 1.00 0.00 C ATOM 277 CD GLN A 20 3.877 1.690 1.471 1.00 0.00 C ATOM 278 OE1 GLN A 20 5.045 1.737 1.086 1.00 0.00 O ATOM 279 NE2 GLN A 20 3.426 0.722 2.251 1.00 0.00 N ATOM 0 H GLN A 20 2.483 0.397 -0.536 1.00 0.00 H new ATOM 0 HA GLN A 20 0.647 2.652 -0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.671 2.507 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.722 3.965 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.176 3.710 1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.901 2.509 1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.450 0.719 2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.054 -0.022 2.555 1.00 0.00 H new ATOM 288 N SER A 21 0.435 2.904 -3.060 1.00 0.00 N ATOM 289 CA SER A 21 0.307 3.211 -4.475 1.00 0.00 C ATOM 290 C SER A 21 1.298 4.300 -4.854 1.00 0.00 C ATOM 291 O SER A 21 2.006 4.210 -5.858 1.00 0.00 O ATOM 292 CB SER A 21 -1.122 3.671 -4.751 1.00 0.00 C ATOM 293 OG SER A 21 -1.800 3.900 -3.524 1.00 0.00 O ATOM 0 H SER A 21 -0.390 3.134 -2.507 1.00 0.00 H new ATOM 0 HA SER A 21 0.523 2.325 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.111 4.584 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.650 2.916 -5.334 1.00 0.00 H new ATOM 0 HG SER A 21 -2.142 3.050 -3.175 1.00 0.00 H new ATOM 569 N SER A 42 7.497 -7.169 -8.352 1.00 0.00 N ATOM 570 CA SER A 42 7.162 -7.909 -7.148 1.00 0.00 C ATOM 571 C SER A 42 6.543 -6.971 -6.118 1.00 0.00 C ATOM 572 O SER A 42 6.461 -5.762 -6.342 1.00 0.00 O ATOM 573 CB SER A 42 8.397 -8.597 -6.575 1.00 0.00 C ATOM 574 OG SER A 42 9.252 -9.057 -7.611 1.00 0.00 O ATOM 0 HA SER A 42 6.436 -8.681 -7.403 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.939 -7.903 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.093 -9.437 -5.951 1.00 0.00 H new ATOM 0 HG SER A 42 9.008 -8.621 -8.454 1.00 0.00 H new ATOM 580 N LEU A 43 6.116 -7.519 -4.992 1.00 0.00 N ATOM 581 CA LEU A 43 5.410 -6.735 -3.994 1.00 0.00 C ATOM 582 C LEU A 43 6.311 -6.425 -2.805 1.00 0.00 C ATOM 583 O LEU A 43 6.966 -7.311 -2.257 1.00 0.00 O ATOM 584 CB LEU A 43 4.160 -7.481 -3.525 1.00 0.00 C ATOM 585 CG LEU A 43 2.863 -7.117 -4.258 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.571 -5.630 -4.121 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.951 -7.512 -5.726 1.00 0.00 C ATOM 0 H LEU A 43 6.246 -8.501 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 43 5.112 -5.792 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.333 -8.551 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.022 -7.290 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 43 2.043 -7.671 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.647 -5.391 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.464 -5.376 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.392 -5.057 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.022 -7.246 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.782 -6.986 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.112 -8.587 -5.804 1.00 0.00 H new ATOM 599 N GLY A 44 6.340 -5.160 -2.419 1.00 0.00 N ATOM 600 CA GLY A 44 7.122 -4.749 -1.271 1.00 0.00 C ATOM 601 C GLY A 44 6.256 -4.089 -0.224 1.00 0.00 C ATOM 602 O GLY A 44 6.399 -2.898 0.055 1.00 0.00 O ATOM 0 H GLY A 44 5.833 -4.406 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.621 -5.616 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.903 -4.058 -1.589 1.00 0.00 H new ATOM 606 N CYS A 45 5.350 -4.865 0.352 1.00 0.00 N ATOM 607 CA CYS A 45 4.403 -4.344 1.322 1.00 0.00 C ATOM 608 C CYS A 45 4.559 -5.031 2.671 1.00 0.00 C ATOM 609 O CYS A 45 5.293 -6.007 2.802 1.00 0.00 O ATOM 610 CB CYS A 45 2.970 -4.513 0.812 1.00 0.00 C ATOM 611 SG CYS A 45 2.716 -3.955 -0.903 1.00 0.00 S ATOM 0 H CYS A 45 5.252 -5.862 0.162 1.00 0.00 H new ATOM 0 HA CYS A 45 4.613 -3.283 1.454 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.692 -5.564 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.296 -3.959 1.466 1.00 0.00 H new ATOM 616 N VAL A 46 3.853 -4.518 3.667 1.00 0.00 N ATOM 617 CA VAL A 46 3.912 -5.073 5.009 1.00 0.00 C ATOM 618 C VAL A 46 2.537 -5.567 5.429 1.00 0.00 C ATOM 619 O VAL A 46 1.520 -5.131 4.883 1.00 0.00 O ATOM 620 CB VAL A 46 4.416 -4.037 6.038 1.00 0.00 C ATOM 621 CG1 VAL A 46 5.936 -3.990 6.049 1.00 0.00 C ATOM 622 CG2 VAL A 46 3.839 -2.657 5.749 1.00 0.00 C ATOM 0 H VAL A 46 3.231 -3.716 3.570 1.00 0.00 H new ATOM 0 HA VAL A 46 4.618 -5.903 4.987 1.00 0.00 H new ATOM 0 HB VAL A 46 4.073 -4.347 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.272 -3.255 6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.328 -4.971 6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.299 -3.710 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.209 -1.946 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.143 -2.337 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.751 -2.700 5.800 1.00 0.00 H new ATOM 632 N VAL A 47 2.512 -6.472 6.394 1.00 0.00 N ATOM 633 CA VAL A 47 1.269 -7.089 6.835 1.00 0.00 C ATOM 634 C VAL A 47 0.374 -6.086 7.550 1.00 0.00 C ATOM 635 O VAL A 47 0.794 -5.406 8.487 1.00 0.00 O ATOM 636 CB VAL A 47 1.512 -8.300 7.766 1.00 0.00 C ATOM 637 CG1 VAL A 47 0.922 -9.563 7.160 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.993 -8.487 8.053 1.00 0.00 C ATOM 0 H VAL A 47 3.342 -6.798 6.890 1.00 0.00 H new ATOM 0 HA VAL A 47 0.772 -7.441 5.931 1.00 0.00 H new ATOM 0 HB VAL A 47 1.011 -8.100 8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.102 -10.405 7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.151 -9.433 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.392 -9.758 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.131 -9.346 8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.526 -8.656 7.118 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.385 -7.593 8.538 1.00 0.00 H new ATOM 648 N GLY A 48 -0.861 -5.998 7.093 1.00 0.00 N ATOM 649 CA GLY A 48 -1.822 -5.127 7.722 1.00 0.00 C ATOM 650 C GLY A 48 -2.674 -5.887 8.709 1.00 0.00 C ATOM 651 O GLY A 48 -3.808 -6.248 8.410 1.00 0.00 O ATOM 0 H GLY A 48 -1.217 -6.519 6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.303 -4.315 8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.457 -4.671 6.963 1.00 0.00 H new ATOM 655 N VAL A 49 -2.110 -6.156 9.880 1.00 0.00 N ATOM 656 CA VAL A 49 -2.811 -6.901 10.914 1.00 0.00 C ATOM 657 C VAL A 49 -4.063 -6.152 11.374 1.00 0.00 C ATOM 658 O VAL A 49 -4.127 -4.919 11.301 1.00 0.00 O ATOM 659 CB VAL A 49 -1.884 -7.197 12.120 1.00 0.00 C ATOM 660 CG1 VAL A 49 -1.844 -6.031 13.100 1.00 0.00 C ATOM 661 CG2 VAL A 49 -2.309 -8.478 12.822 1.00 0.00 C ATOM 0 H VAL A 49 -1.166 -5.867 10.136 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.118 -7.853 10.482 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.874 -7.333 11.733 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.184 -6.277 13.932 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.472 -5.141 12.592 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.848 -5.839 13.479 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.645 -8.668 13.666 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.333 -8.373 13.182 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.254 -9.312 12.122 1.00 0.00 H new ATOM 671 N ILE A 50 -5.060 -6.904 11.823 1.00 0.00 N ATOM 672 CA ILE A 50 -6.321 -6.330 12.278 1.00 0.00 C ATOM 673 C ILE A 50 -6.088 -5.313 13.396 1.00 0.00 C ATOM 674 O ILE A 50 -5.427 -5.609 14.394 1.00 0.00 O ATOM 675 CB ILE A 50 -7.286 -7.435 12.766 1.00 0.00 C ATOM 676 CG1 ILE A 50 -7.678 -8.346 11.603 1.00 0.00 C ATOM 677 CG2 ILE A 50 -8.531 -6.831 13.399 1.00 0.00 C ATOM 678 CD1 ILE A 50 -6.894 -9.637 11.553 1.00 0.00 C ATOM 0 H ILE A 50 -5.019 -7.921 11.882 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.775 -5.818 11.429 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.770 -8.026 13.523 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.740 -8.579 11.677 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.534 -7.807 10.666 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.193 -7.630 13.734 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.244 -6.216 14.252 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.049 -6.214 12.665 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.226 -10.232 10.702 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.832 -9.414 11.447 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.057 -10.198 12.474 1.00 0.00 H new ATOM 690 N GLY A 51 -6.621 -4.113 13.211 1.00 0.00 N ATOM 691 CA GLY A 51 -6.453 -3.060 14.192 1.00 0.00 C ATOM 692 C GLY A 51 -5.644 -1.902 13.649 1.00 0.00 C ATOM 693 O GLY A 51 -5.773 -0.768 14.118 1.00 0.00 O ATOM 0 H GLY A 51 -7.170 -3.849 12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.432 -2.701 14.509 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.960 -3.464 15.076 1.00 0.00 H new ATOM 697 N SER A 52 -4.814 -2.183 12.652 1.00 0.00 N ATOM 698 CA SER A 52 -3.981 -1.156 12.050 1.00 0.00 C ATOM 699 C SER A 52 -4.788 -0.321 11.061 1.00 0.00 C ATOM 700 O SER A 52 -5.673 -0.838 10.374 1.00 0.00 O ATOM 701 CB SER A 52 -2.775 -1.783 11.340 1.00 0.00 C ATOM 702 OG SER A 52 -2.411 -3.026 11.922 1.00 0.00 O ATOM 0 H SER A 52 -4.702 -3.112 12.246 1.00 0.00 H new ATOM 0 HA SER A 52 -3.620 -0.506 12.847 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.009 -1.930 10.286 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.929 -1.098 11.386 1.00 0.00 H new ATOM 0 HG SER A 52 -2.904 -3.750 11.482 1.00 0.00 H new ATOM 708 N GLN A 53 -4.496 0.967 11.006 1.00 0.00 N ATOM 709 CA GLN A 53 -5.139 1.852 10.050 1.00 0.00 C ATOM 710 C GLN A 53 -4.222 2.070 8.862 1.00 0.00 C ATOM 711 O GLN A 53 -3.005 2.150 9.016 1.00 0.00 O ATOM 712 CB GLN A 53 -5.487 3.196 10.691 1.00 0.00 C ATOM 713 CG GLN A 53 -5.915 3.087 12.144 1.00 0.00 C ATOM 714 CD GLN A 53 -4.847 3.574 13.098 1.00 0.00 C ATOM 715 OE1 GLN A 53 -3.661 3.290 12.919 1.00 0.00 O ATOM 716 NE2 GLN A 53 -5.260 4.305 14.117 1.00 0.00 N ATOM 0 H GLN A 53 -3.816 1.424 11.614 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.066 1.384 9.718 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.621 3.855 10.625 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.288 3.664 10.120 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.826 3.666 12.296 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.156 2.049 12.372 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.252 4.515 14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.587 4.660 14.796 1.00 0.00 H new ATOM 725 N CYS A 54 -4.803 2.155 7.685 1.00 0.00 N ATOM 726 CA CYS A 54 -4.027 2.336 6.475 1.00 0.00 C ATOM 727 C CYS A 54 -4.554 3.503 5.655 1.00 0.00 C ATOM 728 O CYS A 54 -5.762 3.672 5.499 1.00 0.00 O ATOM 729 CB CYS A 54 -4.050 1.060 5.635 1.00 0.00 C ATOM 730 SG CYS A 54 -2.470 0.698 4.803 1.00 0.00 S ATOM 0 H CYS A 54 -5.811 2.102 7.539 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.000 2.556 6.766 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.313 0.219 6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.835 1.145 4.883 1.00 0.00 H new ATOM 735 N GLY A 55 -3.638 4.318 5.157 1.00 0.00 N ATOM 736 CA GLY A 55 -4.003 5.393 4.256 1.00 0.00 C ATOM 737 C GLY A 55 -3.615 5.066 2.834 1.00 0.00 C ATOM 738 O GLY A 55 -3.533 5.943 1.974 1.00 0.00 O ATOM 0 H GLY A 55 -2.641 4.254 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.077 5.569 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.512 6.315 4.567 1.00 0.00 H new ATOM 742 N ALA A 56 -3.362 3.790 2.594 1.00 0.00 N ATOM 743 CA ALA A 56 -2.942 3.319 1.290 1.00 0.00 C ATOM 744 C ALA A 56 -3.828 2.168 0.834 1.00 0.00 C ATOM 745 O ALA A 56 -4.836 1.859 1.476 1.00 0.00 O ATOM 746 CB ALA A 56 -1.483 2.892 1.330 1.00 0.00 C ATOM 0 H ALA A 56 -3.442 3.055 3.297 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.042 4.133 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.180 2.540 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.863 3.741 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.359 2.088 2.056 1.00 0.00 H new ATOM 752 N SER A 57 -3.446 1.537 -0.263 1.00 0.00 N ATOM 753 CA SER A 57 -4.213 0.437 -0.822 1.00 0.00 C ATOM 754 C SER A 57 -3.945 -0.861 -0.068 1.00 0.00 C ATOM 755 O SER A 57 -2.846 -1.417 -0.133 1.00 0.00 O ATOM 756 CB SER A 57 -3.853 0.267 -2.295 1.00 0.00 C ATOM 757 OG SER A 57 -2.674 0.994 -2.611 1.00 0.00 O ATOM 0 H SER A 57 -2.603 1.770 -0.788 1.00 0.00 H new ATOM 0 HA SER A 57 -5.274 0.669 -0.725 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.706 -0.790 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.678 0.613 -2.918 1.00 0.00 H new ATOM 0 HG SER A 57 -1.943 0.700 -2.028 1.00 0.00 H new ATOM 763 N VAL A 58 -4.944 -1.334 0.657 1.00 0.00 N ATOM 764 CA VAL A 58 -4.848 -2.613 1.339 1.00 0.00 C ATOM 765 C VAL A 58 -5.338 -3.724 0.421 1.00 0.00 C ATOM 766 O VAL A 58 -6.444 -3.653 -0.110 1.00 0.00 O ATOM 767 CB VAL A 58 -5.665 -2.641 2.648 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.132 -3.710 3.590 1.00 0.00 C ATOM 769 CG2 VAL A 58 -5.658 -1.275 3.325 1.00 0.00 C ATOM 0 H VAL A 58 -5.832 -0.851 0.789 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.799 -2.764 1.595 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.697 -2.888 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.721 -3.714 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.202 -4.686 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.090 -3.497 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.241 -1.322 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.632 -0.990 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.096 -0.535 2.655 1.00 0.00 H new ATOM 779 N LYS A 59 -4.504 -4.725 0.221 1.00 0.00 N ATOM 780 CA LYS A 59 -4.857 -5.856 -0.622 1.00 0.00 C ATOM 781 C LYS A 59 -4.553 -7.159 0.101 1.00 0.00 C ATOM 782 O LYS A 59 -3.895 -7.157 1.137 1.00 0.00 O ATOM 783 CB LYS A 59 -4.098 -5.798 -1.951 1.00 0.00 C ATOM 784 CG LYS A 59 -2.601 -5.566 -1.797 1.00 0.00 C ATOM 785 CD LYS A 59 -1.898 -5.572 -3.146 1.00 0.00 C ATOM 786 CE LYS A 59 -2.056 -4.239 -3.870 1.00 0.00 C ATOM 787 NZ LYS A 59 -0.813 -3.830 -4.579 1.00 0.00 N ATOM 0 H LYS A 59 -3.572 -4.780 0.632 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.925 -5.809 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.257 -6.732 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.518 -5.000 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.428 -4.612 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.175 -6.340 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.839 -5.785 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.304 -6.372 -3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.873 -4.312 -4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.332 -3.468 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.969 -2.919 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.038 -3.733 -3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.563 -4.552 -5.285 1.00 0.00 H new ATOM 801 N CYS A 60 -5.027 -8.262 -0.445 1.00 0.00 N ATOM 802 CA CYS A 60 -4.803 -9.561 0.160 1.00 0.00 C ATOM 803 C CYS A 60 -3.781 -10.338 -0.646 1.00 0.00 C ATOM 804 O CYS A 60 -3.989 -10.618 -1.829 1.00 0.00 O ATOM 805 CB CYS A 60 -6.116 -10.341 0.247 1.00 0.00 C ATOM 806 SG CYS A 60 -7.465 -9.423 1.061 1.00 0.00 S ATOM 0 H CYS A 60 -5.571 -8.285 -1.308 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.420 -9.417 1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.432 -10.616 -0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.941 -11.269 0.791 1.00 0.00 H new ATOM 811 N CYS A 61 -2.674 -10.677 -0.015 1.00 0.00 N ATOM 812 CA CYS A 61 -1.607 -11.381 -0.702 1.00 0.00 C ATOM 813 C CYS A 61 -1.308 -12.708 -0.022 1.00 0.00 C ATOM 814 O CYS A 61 -1.580 -12.889 1.172 1.00 0.00 O ATOM 815 CB CYS A 61 -0.345 -10.519 -0.768 1.00 0.00 C ATOM 816 SG CYS A 61 -0.376 -9.255 -2.082 1.00 0.00 S ATOM 0 H CYS A 61 -2.489 -10.478 0.968 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.939 -11.585 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.204 -10.025 0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.517 -11.167 -0.922 1.00 0.00 H new ATOM 821 N LYS A 62 -0.775 -13.637 -0.797 1.00 0.00 N ATOM 822 CA LYS A 62 -0.406 -14.946 -0.303 1.00 0.00 C ATOM 823 C LYS A 62 0.758 -15.503 -1.117 1.00 0.00 C ATOM 824 O LYS A 62 0.786 -15.395 -2.354 1.00 0.00 O ATOM 825 CB LYS A 62 -1.615 -15.894 -0.356 1.00 0.00 C ATOM 826 CG LYS A 62 -1.262 -17.367 -0.503 1.00 0.00 C ATOM 827 CD LYS A 62 -1.116 -18.048 0.848 1.00 0.00 C ATOM 828 CE LYS A 62 -0.894 -19.545 0.699 1.00 0.00 C ATOM 829 NZ LYS A 62 -1.987 -20.328 1.328 1.00 0.00 N ATOM 0 H LYS A 62 -0.587 -13.501 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.088 -14.858 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.202 -15.764 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.252 -15.602 -1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.036 -17.870 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.331 -17.464 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.279 -17.608 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.011 -17.870 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.827 -19.799 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.058 -19.819 1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.694 -21.322 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.194 -19.940 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.840 -20.271 0.736 1.00 0.00 H new ATOM 843 N ASP A 63 1.723 -16.057 -0.397 1.00 0.00 N ATOM 844 CA ASP A 63 2.878 -16.737 -0.976 1.00 0.00 C ATOM 845 C ASP A 63 3.790 -17.219 0.142 1.00 0.00 C ATOM 846 O ASP A 63 3.471 -17.042 1.320 1.00 0.00 O ATOM 847 CB ASP A 63 3.666 -15.826 -1.928 1.00 0.00 C ATOM 848 CG ASP A 63 4.410 -16.619 -2.988 1.00 0.00 C ATOM 849 OD1 ASP A 63 5.538 -17.082 -2.714 1.00 0.00 O ATOM 850 OD2 ASP A 63 3.871 -16.793 -4.094 1.00 0.00 O ATOM 0 H ASP A 63 1.728 -16.048 0.623 1.00 0.00 H new ATOM 0 HA ASP A 63 2.512 -17.582 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.982 -15.128 -2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.377 -15.231 -1.355 1.00 0.00 H new ATOM 855 N ASP A 64 4.921 -17.800 -0.217 1.00 0.00 N ATOM 856 CA ASP A 64 5.841 -18.340 0.770 1.00 0.00 C ATOM 857 C ASP A 64 6.855 -17.292 1.192 1.00 0.00 C ATOM 858 O ASP A 64 7.852 -17.064 0.507 1.00 0.00 O ATOM 859 CB ASP A 64 6.575 -19.566 0.230 1.00 0.00 C ATOM 860 CG ASP A 64 7.533 -20.154 1.251 1.00 0.00 C ATOM 861 OD1 ASP A 64 7.090 -20.447 2.386 1.00 0.00 O ATOM 862 OD2 ASP A 64 8.727 -20.334 0.925 1.00 0.00 O ATOM 0 H ASP A 64 5.225 -17.910 -1.184 1.00 0.00 H new ATOM 0 HA ASP A 64 5.250 -18.638 1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.848 -20.324 -0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.127 -19.291 -0.668 1.00 0.00 H new ATOM 867 N VAL A 65 6.577 -16.635 2.300 1.00 0.00 N ATOM 868 CA VAL A 65 7.542 -15.732 2.900 1.00 0.00 C ATOM 869 C VAL A 65 8.288 -16.468 3.997 1.00 0.00 C ATOM 870 O VAL A 65 7.765 -16.670 5.093 1.00 0.00 O ATOM 871 CB VAL A 65 6.890 -14.471 3.497 1.00 0.00 C ATOM 872 CG1 VAL A 65 7.845 -13.291 3.407 1.00 0.00 C ATOM 873 CG2 VAL A 65 5.572 -14.149 2.802 1.00 0.00 C ATOM 0 H VAL A 65 5.693 -16.708 2.803 1.00 0.00 H new ATOM 0 HA VAL A 65 8.218 -15.405 2.110 1.00 0.00 H new ATOM 0 HB VAL A 65 6.673 -14.667 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.371 -12.406 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.756 -13.517 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.093 -13.103 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.136 -13.254 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.753 -13.977 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.884 -14.986 2.922 1.00 0.00 H new ATOM 883 N THR A 66 9.485 -16.913 3.677 1.00 0.00 N ATOM 884 CA THR A 66 10.288 -17.680 4.610 1.00 0.00 C ATOM 885 C THR A 66 11.253 -16.775 5.379 1.00 0.00 C ATOM 886 O THR A 66 11.067 -15.554 5.424 1.00 0.00 O ATOM 887 CB THR A 66 11.056 -18.788 3.866 1.00 0.00 C ATOM 888 OG1 THR A 66 10.842 -18.657 2.451 1.00 0.00 O ATOM 889 CG2 THR A 66 10.585 -20.159 4.325 1.00 0.00 C ATOM 0 H THR A 66 9.927 -16.756 2.771 1.00 0.00 H new ATOM 0 HA THR A 66 9.620 -18.145 5.334 1.00 0.00 H new ATOM 0 HB THR A 66 12.118 -18.687 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.135 -19.274 2.169 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.137 -20.931 3.790 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.760 -20.264 5.396 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.520 -20.266 4.119 1.00 0.00 H new ATOM 897 N ASN A 67 12.294 -17.360 5.960 1.00 0.00 N ATOM 898 CA ASN A 67 13.204 -16.620 6.829 1.00 0.00 C ATOM 899 C ASN A 67 14.265 -15.877 6.020 1.00 0.00 C ATOM 900 O ASN A 67 15.464 -16.100 6.179 1.00 0.00 O ATOM 901 CB ASN A 67 13.877 -17.562 7.829 1.00 0.00 C ATOM 902 CG ASN A 67 14.293 -16.852 9.107 1.00 0.00 C ATOM 903 OD1 ASN A 67 14.339 -15.623 9.165 1.00 0.00 O ATOM 904 ND2 ASN A 67 14.603 -17.622 10.136 1.00 0.00 N ATOM 0 H ASN A 67 12.530 -18.346 5.845 1.00 0.00 H new ATOM 0 HA ASN A 67 12.613 -15.884 7.374 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.193 -18.375 8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.754 -18.013 7.365 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.893 -17.201 11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.552 -18.637 10.047 1.00 0.00 H new ATOM 911 N THR A 68 13.807 -15.006 5.138 1.00 0.00 N ATOM 912 CA THR A 68 14.695 -14.152 4.366 1.00 0.00 C ATOM 913 C THR A 68 14.160 -12.723 4.352 1.00 0.00 C ATOM 914 O THR A 68 14.432 -11.943 3.441 1.00 0.00 O ATOM 915 CB THR A 68 14.859 -14.670 2.923 1.00 0.00 C ATOM 916 OG1 THR A 68 14.630 -16.087 2.885 1.00 0.00 O ATOM 917 CG2 THR A 68 16.253 -14.365 2.395 1.00 0.00 C ATOM 0 H THR A 68 12.816 -14.870 4.937 1.00 0.00 H new ATOM 0 HA THR A 68 15.676 -14.167 4.841 1.00 0.00 H new ATOM 0 HB THR A 68 14.129 -14.164 2.291 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.734 -16.411 1.966 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.346 -14.739 1.376 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.417 -13.287 2.402 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.996 -14.849 3.029 1.00 0.00 H new ATOM 925 N GLY A 69 13.397 -12.391 5.383 1.00 0.00 N ATOM 926 CA GLY A 69 12.805 -11.076 5.478 1.00 0.00 C ATOM 927 C GLY A 69 13.709 -10.089 6.187 1.00 0.00 C ATOM 928 O GLY A 69 13.589 -9.885 7.396 1.00 0.00 O ATOM 0 H GLY A 69 13.177 -13.015 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.582 -10.707 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.857 -11.144 6.011 1.00 0.00 H new ATOM 932 N ASN A 70 14.628 -9.495 5.440 1.00 0.00 N ATOM 933 CA ASN A 70 15.511 -8.471 5.986 1.00 0.00 C ATOM 934 C ASN A 70 14.772 -7.143 6.063 1.00 0.00 C ATOM 935 O ASN A 70 14.305 -6.631 5.040 1.00 0.00 O ATOM 936 CB ASN A 70 16.771 -8.321 5.129 1.00 0.00 C ATOM 937 CG ASN A 70 17.586 -7.096 5.507 1.00 0.00 C ATOM 938 OD1 ASN A 70 18.044 -6.967 6.641 1.00 0.00 O ATOM 939 ND2 ASN A 70 17.766 -6.187 4.560 1.00 0.00 N ATOM 0 H ASN A 70 14.783 -9.704 4.454 1.00 0.00 H new ATOM 0 HA ASN A 70 15.815 -8.775 6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 70 17.389 -9.213 5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 70 16.487 -8.255 4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 70 18.301 -5.342 4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 70 17.369 -6.332 3.632 1.00 0.00 H new ATOM 946 N SER A 71 14.649 -6.613 7.281 1.00 0.00 N ATOM 947 CA SER A 71 13.921 -5.370 7.548 1.00 0.00 C ATOM 948 C SER A 71 12.408 -5.576 7.420 1.00 0.00 C ATOM 949 O SER A 71 11.651 -5.218 8.323 1.00 0.00 O ATOM 950 CB SER A 71 14.396 -4.238 6.626 1.00 0.00 C ATOM 951 OG SER A 71 15.798 -4.037 6.748 1.00 0.00 O ATOM 0 H SER A 71 15.054 -7.036 8.116 1.00 0.00 H new ATOM 0 HA SER A 71 14.136 -5.079 8.576 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.148 -4.478 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.870 -3.316 6.875 1.00 0.00 H new ATOM 0 HG SER A 71 16.078 -3.313 6.150 1.00 0.00 H new ATOM 957 N PHE A 72 11.974 -6.160 6.313 1.00 0.00 N ATOM 958 CA PHE A 72 10.561 -6.427 6.091 1.00 0.00 C ATOM 959 C PHE A 72 10.387 -7.669 5.217 1.00 0.00 C ATOM 960 O PHE A 72 11.346 -8.150 4.610 1.00 0.00 O ATOM 961 CB PHE A 72 9.869 -5.201 5.467 1.00 0.00 C ATOM 962 CG PHE A 72 9.807 -5.215 3.966 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.933 -4.942 3.207 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.620 -5.505 3.319 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.873 -4.957 1.828 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.552 -5.521 1.940 1.00 0.00 C ATOM 967 CZ PHE A 72 9.681 -5.248 1.195 1.00 0.00 C ATOM 0 H PHE A 72 12.583 -6.459 5.552 1.00 0.00 H new ATOM 0 HA PHE A 72 10.085 -6.622 7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.854 -5.134 5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.394 -4.301 5.788 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.867 -4.715 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.735 -5.722 3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.757 -4.742 1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.618 -5.746 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.632 -5.262 0.116 1.00 0.00 H new ATOM 977 N LEU A 73 9.168 -8.183 5.167 1.00 0.00 N ATOM 978 CA LEU A 73 8.874 -9.397 4.419 1.00 0.00 C ATOM 979 C LEU A 73 8.502 -9.077 2.974 1.00 0.00 C ATOM 980 O LEU A 73 7.425 -8.545 2.705 1.00 0.00 O ATOM 981 CB LEU A 73 7.735 -10.169 5.093 1.00 0.00 C ATOM 982 CG LEU A 73 6.878 -9.356 6.068 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.611 -8.861 5.386 1.00 0.00 C ATOM 984 CD2 LEU A 73 6.533 -10.192 7.292 1.00 0.00 C ATOM 0 H LEU A 73 8.361 -7.775 5.639 1.00 0.00 H new ATOM 0 HA LEU A 73 9.772 -10.014 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.086 -10.576 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.161 -11.017 5.630 1.00 0.00 H new ATOM 0 HG LEU A 73 7.453 -8.488 6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.017 -8.286 6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.877 -8.228 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.031 -9.714 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.924 -9.601 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.977 -11.077 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.451 -10.497 7.795 1.00 0.00 H new ATOM 996 N ILE A 74 9.400 -9.390 2.050 1.00 0.00 N ATOM 997 CA ILE A 74 9.131 -9.201 0.631 1.00 0.00 C ATOM 998 C ILE A 74 8.066 -10.192 0.169 1.00 0.00 C ATOM 999 O ILE A 74 8.056 -11.352 0.591 1.00 0.00 O ATOM 1000 CB ILE A 74 10.431 -9.335 -0.212 1.00 0.00 C ATOM 1001 CG1 ILE A 74 10.756 -8.000 -0.884 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.336 -10.443 -1.261 1.00 0.00 C ATOM 1003 CD1 ILE A 74 12.180 -7.539 -0.660 1.00 0.00 C ATOM 0 H ILE A 74 10.321 -9.776 2.257 1.00 0.00 H new ATOM 0 HA ILE A 74 8.754 -8.190 0.480 1.00 0.00 H new ATOM 0 HB ILE A 74 11.234 -9.609 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.576 -8.089 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.073 -7.238 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.269 -10.494 -1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.157 -11.398 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.514 -10.228 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 74 12.338 -6.586 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 74 12.359 -7.417 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.870 -8.281 -1.061 1.00 0.00 H new ATOM 1015 N ILE A 75 7.158 -9.732 -0.677 1.00 0.00 N ATOM 1016 CA ILE A 75 6.054 -10.565 -1.125 1.00 0.00 C ATOM 1017 C ILE A 75 6.183 -10.905 -2.601 1.00 0.00 C ATOM 1018 O ILE A 75 6.479 -10.043 -3.435 1.00 0.00 O ATOM 1019 CB ILE A 75 4.681 -9.897 -0.890 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.827 -8.590 -0.111 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.751 -10.846 -0.153 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.577 -7.739 -0.126 1.00 0.00 C ATOM 0 H ILE A 75 7.164 -8.789 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 75 6.106 -11.477 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 75 4.251 -9.664 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.090 -8.819 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.653 -8.016 -0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.788 -10.361 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.609 -11.750 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.188 -11.108 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.751 -6.827 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.325 -7.480 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.753 -8.295 0.320 1.00 0.00 H new ATOM 1034 N ASN A 76 5.964 -12.169 -2.919 1.00 0.00 N ATOM 1035 CA ASN A 76 5.964 -12.619 -4.298 1.00 0.00 C ATOM 1036 C ASN A 76 4.628 -12.285 -4.945 1.00 0.00 C ATOM 1037 O ASN A 76 3.575 -12.436 -4.323 1.00 0.00 O ATOM 1038 CB ASN A 76 6.228 -14.122 -4.365 1.00 0.00 C ATOM 1039 CG ASN A 76 6.301 -14.642 -5.789 1.00 0.00 C ATOM 1040 OD1 ASN A 76 6.908 -14.015 -6.662 1.00 0.00 O ATOM 1041 ND2 ASN A 76 5.678 -15.784 -6.037 1.00 0.00 N ATOM 0 H ASN A 76 5.783 -12.905 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 76 6.759 -12.107 -4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.164 -14.345 -3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.438 -14.649 -3.830 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.689 -16.177 -6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.188 -16.271 -5.287 1.00 0.00 H new ATOM 1048 N ALA A 77 4.671 -11.840 -6.192 1.00 0.00 N ATOM 1049 CA ALA A 77 3.472 -11.391 -6.888 1.00 0.00 C ATOM 1050 C ALA A 77 2.707 -12.564 -7.492 1.00 0.00 C ATOM 1051 O ALA A 77 2.376 -12.564 -8.680 1.00 0.00 O ATOM 1052 CB ALA A 77 3.844 -10.384 -7.966 1.00 0.00 C ATOM 0 H ALA A 77 5.526 -11.780 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 77 2.817 -10.910 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.942 -10.053 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.336 -9.526 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.521 -10.851 -8.682 1.00 0.00 H new ATOM 1058 N ALA A 78 2.428 -13.566 -6.670 1.00 0.00 N ATOM 1059 CA ALA A 78 1.704 -14.738 -7.126 1.00 0.00 C ATOM 1060 C ALA A 78 0.235 -14.653 -6.741 1.00 0.00 C ATOM 1061 O ALA A 78 -0.624 -14.430 -7.593 1.00 0.00 O ATOM 1062 CB ALA A 78 2.326 -16.008 -6.572 1.00 0.00 C ATOM 0 H ALA A 78 2.693 -13.588 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 78 1.771 -14.770 -8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.766 -16.873 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.360 -16.083 -6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.299 -15.981 -5.483 1.00 0.00 H new ATOM 1068 N ASN A 79 -0.057 -14.810 -5.457 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.440 -14.813 -5.008 1.00 0.00 C ATOM 1070 C ASN A 79 -1.796 -13.482 -4.367 1.00 0.00 C ATOM 1071 O ASN A 79 -1.977 -13.396 -3.161 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.692 -15.948 -4.010 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.093 -17.272 -4.445 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.697 -18.017 -5.214 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.096 -17.573 -3.946 1.00 0.00 N ATOM 0 H ASN A 79 0.635 -14.935 -4.718 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.072 -14.970 -5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.277 -15.670 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.766 -16.070 -3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.546 -18.453 -4.197 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.561 -16.925 -3.311 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.882 -12.440 -5.172 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.284 -11.139 -4.662 1.00 0.00 C ATOM 1084 C CYS A 80 -3.575 -10.692 -5.333 1.00 0.00 C ATOM 1085 O CYS A 80 -3.675 -10.678 -6.560 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.180 -10.106 -4.890 1.00 0.00 C ATOM 1087 SG CYS A 80 0.229 -10.258 -3.743 1.00 0.00 S ATOM 0 H CYS A 80 -1.682 -12.465 -6.172 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.455 -11.224 -3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.814 -10.200 -5.912 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.606 -9.107 -4.795 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.549 -10.307 -4.521 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.864 -9.929 -5.019 1.00 0.00 C ATOM 1094 C VAL A 81 -6.428 -8.769 -4.212 1.00 0.00 C ATOM 1095 O VAL A 81 -5.991 -8.517 -3.086 1.00 0.00 O ATOM 1096 CB VAL A 81 -6.860 -11.108 -4.964 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -6.802 -11.921 -6.246 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.596 -11.993 -3.754 1.00 0.00 C ATOM 0 H VAL A 81 -4.452 -10.248 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.735 -9.630 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.864 -10.694 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.511 -12.746 -6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.057 -11.284 -7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.795 -12.317 -6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.312 -12.815 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.584 -12.394 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.702 -11.405 -2.843 1.00 0.00 H new ATOM 1108 N ALA A 82 -7.389 -8.069 -4.791 1.00 0.00 N ATOM 1109 CA ALA A 82 -8.018 -6.937 -4.138 1.00 0.00 C ATOM 1110 C ALA A 82 -9.464 -6.828 -4.590 1.00 0.00 C ATOM 1111 O ALA A 82 -9.979 -7.813 -5.160 1.00 0.00 O ATOM 1112 CB ALA A 82 -7.260 -5.653 -4.446 1.00 0.00 C ATOM 1113 OXT ALA A 82 -10.079 -5.760 -4.396 1.00 0.00 O ATOM 0 H ALA A 82 -7.753 -8.269 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.995 -7.090 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.747 -4.815 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.234 -5.742 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.256 -5.482 -5.523 1.00 0.00 H new