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 62:sc= 0.599 USER MOD Set 1.2: A 57 SER OG : rot 74:sc= 1.96 USER MOD Set 2.1: A 15 LYS NZ :NH3+ 165:sc= 2.36 (180deg=0.171!) USER MOD Set 2.2: A 17 TYR OH : rot -133:sc= 2.27 USER MOD Set 3.1: A 1 ALA N :NH3+ 166:sc= 1.21 (180deg=0) USER MOD Set 3.2: A 53 GLN : amide:sc= 1.03 K(o=2.2,f=-4) USER MOD Single : A 2 THR OG1 : rot 91:sc= 0.0189 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -64:sc= 1.35 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 150:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.061) USER MOD Single : A 42 SER OG : rot -5:sc= 0.821 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= 0.0951 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.01 K(o=1,f=-6.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.235 K(o=-0.23,f=-1.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.177 USER MOD Single : A 76 ASN : amide:sc= -0.0824 K(o=-0.082,f=-1.5!) USER MOD Single : A 79 ASN : amide:sc= 1.19 K(o=1.2,f=-0.0092) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.953 5.798 7.443 1.00 0.00 N ATOM 2 CA ALA A 1 -11.108 5.079 6.465 1.00 0.00 C ATOM 3 C ALA A 1 -11.318 3.576 6.583 1.00 0.00 C ATOM 4 O ALA A 1 -12.135 3.116 7.384 1.00 0.00 O ATOM 5 CB ALA A 1 -9.641 5.432 6.669 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.633 6.785 7.519 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.944 5.778 7.127 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.877 5.337 8.372 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.400 5.389 5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.033 4.895 5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.503 6.505 6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.336 5.150 7.676 1.00 0.00 H new ATOM 13 N THR A 2 -10.586 2.816 5.784 1.00 0.00 N ATOM 14 CA THR A 2 -10.682 1.370 5.802 1.00 0.00 C ATOM 15 C THR A 2 -9.859 0.790 6.948 1.00 0.00 C ATOM 16 O THR A 2 -8.734 1.223 7.195 1.00 0.00 O ATOM 17 CB THR A 2 -10.196 0.787 4.462 1.00 0.00 C ATOM 18 OG1 THR A 2 -10.254 1.805 3.451 1.00 0.00 O ATOM 19 CG2 THR A 2 -11.042 -0.405 4.041 1.00 0.00 C ATOM 0 H THR A 2 -9.914 3.183 5.110 1.00 0.00 H new ATOM 0 HA THR A 2 -11.727 1.099 5.951 1.00 0.00 H new ATOM 0 HB THR A 2 -9.169 0.445 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.397 2.280 3.415 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.675 -0.795 3.092 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.978 -1.183 4.802 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.080 -0.092 3.928 1.00 0.00 H new ATOM 27 N THR A 3 -10.424 -0.179 7.647 1.00 0.00 N ATOM 28 CA THR A 3 -9.758 -0.788 8.786 1.00 0.00 C ATOM 29 C THR A 3 -9.168 -2.141 8.408 1.00 0.00 C ATOM 30 O THR A 3 -9.804 -2.928 7.705 1.00 0.00 O ATOM 31 CB THR A 3 -10.738 -0.969 9.959 1.00 0.00 C ATOM 32 OG1 THR A 3 -11.851 -0.082 9.790 1.00 0.00 O ATOM 33 CG2 THR A 3 -10.055 -0.686 11.289 1.00 0.00 C ATOM 0 H THR A 3 -11.347 -0.563 7.445 1.00 0.00 H new ATOM 0 HA THR A 3 -8.953 -0.121 9.093 1.00 0.00 H new ATOM 0 HB THR A 3 -11.084 -2.003 9.966 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.477 -0.197 10.535 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.770 -0.821 12.101 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.220 -1.373 11.423 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.686 0.340 11.297 1.00 0.00 H new ATOM 41 N ILE A 4 -7.948 -2.401 8.860 1.00 0.00 N ATOM 42 CA ILE A 4 -7.286 -3.663 8.568 1.00 0.00 C ATOM 43 C ILE A 4 -7.742 -4.749 9.535 1.00 0.00 C ATOM 44 O ILE A 4 -7.645 -4.594 10.755 1.00 0.00 O ATOM 45 CB ILE A 4 -5.747 -3.543 8.630 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.265 -2.404 7.724 1.00 0.00 C ATOM 47 CG2 ILE A 4 -5.093 -4.861 8.224 1.00 0.00 C ATOM 48 CD1 ILE A 4 -3.761 -2.224 7.720 1.00 0.00 C ATOM 0 H ILE A 4 -7.399 -1.756 9.429 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.567 -3.933 7.550 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.457 -3.316 9.656 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.602 -2.595 6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.733 -1.473 8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.009 -4.759 8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.415 -5.651 8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.388 -5.115 7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.495 -1.401 7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.419 -2.001 8.731 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.286 -3.140 7.369 1.00 0.00 H new ATOM 60 N GLY A 5 -8.251 -5.835 8.978 1.00 0.00 N ATOM 61 CA GLY A 5 -8.681 -6.959 9.778 1.00 0.00 C ATOM 62 C GLY A 5 -8.456 -8.265 9.053 1.00 0.00 C ATOM 63 O GLY A 5 -7.946 -8.258 7.932 1.00 0.00 O ATOM 0 H GLY A 5 -8.375 -5.958 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.136 -6.966 10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.738 -6.852 10.021 1.00 0.00 H new ATOM 67 N PRO A 6 -8.827 -9.402 9.661 1.00 0.00 N ATOM 68 CA PRO A 6 -8.653 -10.726 9.047 1.00 0.00 C ATOM 69 C PRO A 6 -9.422 -10.856 7.736 1.00 0.00 C ATOM 70 O PRO A 6 -9.010 -11.576 6.824 1.00 0.00 O ATOM 71 CB PRO A 6 -9.216 -11.691 10.096 1.00 0.00 C ATOM 72 CG PRO A 6 -10.081 -10.853 10.976 1.00 0.00 C ATOM 73 CD PRO A 6 -9.445 -9.491 10.993 1.00 0.00 C ATOM 0 HA PRO A 6 -7.612 -10.922 8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.789 -12.491 9.627 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.416 -12.164 10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.100 -10.805 10.592 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.139 -11.271 11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.181 -8.703 11.150 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.706 -9.400 11.789 1.00 0.00 H new ATOM 81 N ASN A 7 -10.537 -10.142 7.652 1.00 0.00 N ATOM 82 CA ASN A 7 -11.370 -10.151 6.459 1.00 0.00 C ATOM 83 C ASN A 7 -11.354 -8.770 5.817 1.00 0.00 C ATOM 84 O ASN A 7 -12.384 -8.099 5.731 1.00 0.00 O ATOM 85 CB ASN A 7 -12.812 -10.554 6.801 1.00 0.00 C ATOM 86 CG ASN A 7 -12.888 -11.671 7.825 1.00 0.00 C ATOM 87 OD1 ASN A 7 -12.440 -12.790 7.579 1.00 0.00 O ATOM 88 ND2 ASN A 7 -13.461 -11.377 8.981 1.00 0.00 N ATOM 0 H ASN A 7 -10.886 -9.546 8.402 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.969 -10.884 5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.346 -9.683 7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.321 -10.868 5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.543 -12.090 9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.821 -10.437 9.148 1.00 0.00 H new ATOM 95 N THR A 8 -10.175 -8.342 5.390 1.00 0.00 N ATOM 96 CA THR A 8 -10.007 -7.032 4.783 1.00 0.00 C ATOM 97 C THR A 8 -10.615 -6.993 3.385 1.00 0.00 C ATOM 98 O THR A 8 -11.594 -6.287 3.136 1.00 0.00 O ATOM 99 CB THR A 8 -8.516 -6.667 4.703 1.00 0.00 C ATOM 100 OG1 THR A 8 -7.730 -7.738 5.246 1.00 0.00 O ATOM 101 CG2 THR A 8 -8.228 -5.382 5.461 1.00 0.00 C ATOM 0 H THR A 8 -9.316 -8.888 5.454 1.00 0.00 H new ATOM 0 HA THR A 8 -10.525 -6.306 5.410 1.00 0.00 H new ATOM 0 HB THR A 8 -8.254 -6.512 3.656 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.936 -7.845 6.198 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.166 -5.147 5.388 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.810 -4.567 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.501 -5.509 6.509 1.00 0.00 H new ATOM 109 N CYS A 9 -10.027 -7.761 2.482 1.00 0.00 N ATOM 110 CA CYS A 9 -10.507 -7.845 1.115 1.00 0.00 C ATOM 111 C CYS A 9 -11.428 -9.053 0.960 1.00 0.00 C ATOM 112 O CYS A 9 -11.366 -9.994 1.754 1.00 0.00 O ATOM 113 CB CYS A 9 -9.317 -7.942 0.159 1.00 0.00 C ATOM 114 SG CYS A 9 -7.769 -7.266 0.846 1.00 0.00 S ATOM 0 H CYS A 9 -9.209 -8.339 2.675 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.076 -6.948 0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.160 -8.987 -0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -9.558 -7.411 -0.762 1.00 0.00 H new ATOM 119 N SER A 10 -12.290 -9.023 -0.046 1.00 0.00 N ATOM 120 CA SER A 10 -13.267 -10.085 -0.241 1.00 0.00 C ATOM 121 C SER A 10 -12.656 -11.272 -0.982 1.00 0.00 C ATOM 122 O SER A 10 -12.746 -11.374 -2.206 1.00 0.00 O ATOM 123 CB SER A 10 -14.482 -9.545 -0.992 1.00 0.00 C ATOM 124 OG SER A 10 -14.959 -8.355 -0.384 1.00 0.00 O ATOM 0 H SER A 10 -12.333 -8.276 -0.739 1.00 0.00 H new ATOM 0 HA SER A 10 -13.587 -10.440 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.216 -9.347 -2.030 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.272 -10.296 -1.003 1.00 0.00 H new ATOM 0 HG SER A 10 -15.736 -8.023 -0.880 1.00 0.00 H new ATOM 130 N ILE A 11 -12.023 -12.154 -0.219 1.00 0.00 N ATOM 131 CA ILE A 11 -11.386 -13.345 -0.766 1.00 0.00 C ATOM 132 C ILE A 11 -11.538 -14.517 0.199 1.00 0.00 C ATOM 133 O ILE A 11 -12.267 -14.423 1.186 1.00 0.00 O ATOM 134 CB ILE A 11 -9.881 -13.120 -1.049 1.00 0.00 C ATOM 135 CG1 ILE A 11 -9.344 -11.920 -0.260 1.00 0.00 C ATOM 136 CG2 ILE A 11 -9.651 -12.928 -2.538 1.00 0.00 C ATOM 137 CD1 ILE A 11 -8.995 -12.246 1.178 1.00 0.00 C ATOM 0 H ILE A 11 -11.937 -12.064 0.793 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.884 -13.567 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.336 -14.005 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.457 -11.534 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.089 -11.125 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.589 -12.771 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.986 -13.815 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.213 -12.060 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.622 -11.350 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.885 -12.604 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.227 -13.019 1.200 1.00 0.00 H new ATOM 149 N ASP A 12 -10.844 -15.613 -0.090 1.00 0.00 N ATOM 150 CA ASP A 12 -10.867 -16.806 0.760 1.00 0.00 C ATOM 151 C ASP A 12 -10.207 -16.522 2.109 1.00 0.00 C ATOM 152 O ASP A 12 -10.876 -16.203 3.092 1.00 0.00 O ATOM 153 CB ASP A 12 -10.137 -17.955 0.051 1.00 0.00 C ATOM 154 CG ASP A 12 -10.057 -19.223 0.880 1.00 0.00 C ATOM 155 OD1 ASP A 12 -11.092 -19.900 1.041 1.00 0.00 O ATOM 156 OD2 ASP A 12 -8.950 -19.560 1.361 1.00 0.00 O ATOM 0 H ASP A 12 -10.251 -15.703 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.904 -17.089 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.647 -18.175 -0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.127 -17.632 -0.203 1.00 0.00 H new ATOM 161 N ASP A 13 -8.893 -16.649 2.140 1.00 0.00 N ATOM 162 CA ASP A 13 -8.099 -16.324 3.314 1.00 0.00 C ATOM 163 C ASP A 13 -6.729 -15.871 2.841 1.00 0.00 C ATOM 164 O ASP A 13 -5.949 -16.661 2.307 1.00 0.00 O ATOM 165 CB ASP A 13 -7.997 -17.534 4.259 1.00 0.00 C ATOM 166 CG ASP A 13 -6.692 -17.580 5.035 1.00 0.00 C ATOM 167 OD1 ASP A 13 -6.564 -16.867 6.051 1.00 0.00 O ATOM 168 OD2 ASP A 13 -5.788 -18.345 4.633 1.00 0.00 O ATOM 0 H ASP A 13 -8.343 -16.982 1.348 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.574 -15.524 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.829 -17.509 4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.099 -18.450 3.678 1.00 0.00 H new ATOM 173 N TYR A 14 -6.461 -14.587 2.979 1.00 0.00 N ATOM 174 CA TYR A 14 -5.259 -14.002 2.413 1.00 0.00 C ATOM 175 C TYR A 14 -4.561 -13.132 3.441 1.00 0.00 C ATOM 176 O TYR A 14 -5.187 -12.651 4.383 1.00 0.00 O ATOM 177 CB TYR A 14 -5.616 -13.176 1.175 1.00 0.00 C ATOM 178 CG TYR A 14 -5.770 -13.996 -0.091 1.00 0.00 C ATOM 179 CD1 TYR A 14 -6.854 -14.849 -0.277 1.00 0.00 C ATOM 180 CD2 TYR A 14 -4.823 -13.918 -1.095 1.00 0.00 C ATOM 181 CE1 TYR A 14 -6.981 -15.598 -1.432 1.00 0.00 C ATOM 182 CE2 TYR A 14 -4.941 -14.661 -2.250 1.00 0.00 C ATOM 183 CZ TYR A 14 -6.020 -15.502 -2.415 1.00 0.00 C ATOM 184 OH TYR A 14 -6.138 -16.251 -3.566 1.00 0.00 O ATOM 0 H TYR A 14 -7.059 -13.928 3.478 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.581 -14.804 2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.546 -12.641 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.842 -12.425 1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.607 -14.927 0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.974 -13.262 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.828 -16.255 -1.563 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.190 -14.584 -3.023 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.720 -15.772 -4.312 1.00 0.00 H new ATOM 194 N LYS A 15 -3.262 -12.933 3.261 1.00 0.00 N ATOM 195 CA LYS A 15 -2.491 -12.101 4.168 1.00 0.00 C ATOM 196 C LYS A 15 -2.716 -10.636 3.830 1.00 0.00 C ATOM 197 O LYS A 15 -2.545 -10.223 2.681 1.00 0.00 O ATOM 198 CB LYS A 15 -0.997 -12.435 4.081 1.00 0.00 C ATOM 199 CG LYS A 15 -0.666 -13.884 4.400 1.00 0.00 C ATOM 200 CD LYS A 15 0.532 -14.362 3.596 1.00 0.00 C ATOM 201 CE LYS A 15 1.758 -14.540 4.478 1.00 0.00 C ATOM 202 NZ LYS A 15 2.988 -13.995 3.844 1.00 0.00 N ATOM 0 H LYS A 15 -2.723 -13.337 2.495 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.824 -12.296 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.642 -12.205 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.450 -11.789 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.457 -13.987 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.529 -14.514 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.292 -15.307 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.752 -13.644 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.592 -14.042 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.900 -15.599 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.736 -13.903 4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.306 -14.640 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.783 -13.061 3.435 1.00 0.00 H new ATOM 216 N PRO A 16 -3.132 -9.839 4.820 1.00 0.00 N ATOM 217 CA PRO A 16 -3.390 -8.419 4.633 1.00 0.00 C ATOM 218 C PRO A 16 -2.101 -7.613 4.568 1.00 0.00 C ATOM 219 O PRO A 16 -1.257 -7.698 5.461 1.00 0.00 O ATOM 220 CB PRO A 16 -4.205 -8.022 5.875 1.00 0.00 C ATOM 221 CG PRO A 16 -4.459 -9.290 6.627 1.00 0.00 C ATOM 222 CD PRO A 16 -3.391 -10.254 6.198 1.00 0.00 C ATOM 0 HA PRO A 16 -3.909 -8.222 3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.656 -7.308 6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.142 -7.544 5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.419 -9.119 7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.451 -9.683 6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.500 -10.177 6.820 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.730 -11.288 6.254 1.00 0.00 H new ATOM 230 N TYR A 17 -1.948 -6.851 3.503 1.00 0.00 N ATOM 231 CA TYR A 17 -0.792 -5.986 3.331 1.00 0.00 C ATOM 232 C TYR A 17 -1.258 -4.552 3.131 1.00 0.00 C ATOM 233 O TYR A 17 -2.341 -4.317 2.601 1.00 0.00 O ATOM 234 CB TYR A 17 0.038 -6.438 2.123 1.00 0.00 C ATOM 235 CG TYR A 17 0.664 -7.807 2.285 1.00 0.00 C ATOM 236 CD1 TYR A 17 1.813 -7.983 3.044 1.00 0.00 C ATOM 237 CD2 TYR A 17 0.106 -8.924 1.680 1.00 0.00 C ATOM 238 CE1 TYR A 17 2.386 -9.231 3.193 1.00 0.00 C ATOM 239 CE2 TYR A 17 0.671 -10.176 1.826 1.00 0.00 C ATOM 240 CZ TYR A 17 1.812 -10.325 2.583 1.00 0.00 C ATOM 241 OH TYR A 17 2.378 -11.571 2.734 1.00 0.00 O ATOM 0 H TYR A 17 -2.617 -6.812 2.734 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.168 -6.045 4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.599 -6.443 1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.827 -5.708 1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.267 -7.130 3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.787 -8.812 1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.281 -9.349 3.786 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.220 -11.034 1.349 1.00 0.00 H new ATOM 0 HH TYR A 17 2.434 -12.013 1.861 1.00 0.00 H new ATOM 251 N CYS A 18 -0.461 -3.596 3.567 1.00 0.00 N ATOM 252 CA CYS A 18 -0.795 -2.193 3.375 1.00 0.00 C ATOM 253 C CYS A 18 0.460 -1.379 3.118 1.00 0.00 C ATOM 254 O CYS A 18 1.339 -1.286 3.976 1.00 0.00 O ATOM 255 CB CYS A 18 -1.546 -1.636 4.586 1.00 0.00 C ATOM 256 SG CYS A 18 -2.700 -0.285 4.179 1.00 0.00 S ATOM 0 H CYS A 18 0.419 -3.761 4.055 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.447 -2.119 2.505 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.101 -2.445 5.061 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.822 -1.275 5.316 1.00 0.00 H new ATOM 261 N CYS A 19 0.545 -0.805 1.930 1.00 0.00 N ATOM 262 CA CYS A 19 1.698 -0.007 1.552 1.00 0.00 C ATOM 263 C CYS A 19 1.274 1.141 0.644 1.00 0.00 C ATOM 264 O CYS A 19 0.107 1.233 0.256 1.00 0.00 O ATOM 265 CB CYS A 19 2.742 -0.881 0.848 1.00 0.00 C ATOM 266 SG CYS A 19 2.111 -2.497 0.277 1.00 0.00 S ATOM 0 H CYS A 19 -0.173 -0.877 1.209 1.00 0.00 H new ATOM 0 HA CYS A 19 2.143 0.410 2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.137 -0.335 -0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.576 -1.050 1.530 1.00 0.00 H new ATOM 271 N GLN A 20 2.213 2.009 0.304 1.00 0.00 N ATOM 272 CA GLN A 20 1.932 3.139 -0.566 1.00 0.00 C ATOM 273 C GLN A 20 2.378 2.833 -1.988 1.00 0.00 C ATOM 274 O GLN A 20 3.449 2.262 -2.202 1.00 0.00 O ATOM 275 CB GLN A 20 2.649 4.388 -0.055 1.00 0.00 C ATOM 276 CG GLN A 20 1.760 5.617 0.019 1.00 0.00 C ATOM 277 CD GLN A 20 1.073 5.759 1.363 1.00 0.00 C ATOM 278 OE1 GLN A 20 -0.141 5.926 1.437 1.00 0.00 O ATOM 279 NE2 GLN A 20 1.841 5.695 2.438 1.00 0.00 N ATOM 0 H GLN A 20 3.181 1.952 0.619 1.00 0.00 H new ATOM 0 HA GLN A 20 0.857 3.320 -0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.054 4.183 0.936 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.496 4.602 -0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.359 6.507 -0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.006 5.564 -0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.847 5.555 2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.428 5.785 3.366 1.00 0.00 H new ATOM 288 N SER A 21 1.559 3.200 -2.959 1.00 0.00 N ATOM 289 CA SER A 21 1.900 2.990 -4.353 1.00 0.00 C ATOM 290 C SER A 21 2.666 4.195 -4.888 1.00 0.00 C ATOM 291 O SER A 21 2.134 5.303 -4.958 1.00 0.00 O ATOM 292 CB SER A 21 0.638 2.743 -5.178 1.00 0.00 C ATOM 293 OG SER A 21 -0.210 1.798 -4.541 1.00 0.00 O ATOM 0 H SER A 21 0.654 3.645 -2.806 1.00 0.00 H new ATOM 0 HA SER A 21 2.537 2.109 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.102 3.681 -5.319 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.912 2.381 -6.169 1.00 0.00 H new ATOM 0 HG SER A 21 -0.500 2.151 -3.674 1.00 0.00 H new ATOM 569 N SER A 42 5.674 -8.199 -8.828 1.00 0.00 N ATOM 570 CA SER A 42 6.583 -7.552 -7.893 1.00 0.00 C ATOM 571 C SER A 42 5.804 -6.967 -6.724 1.00 0.00 C ATOM 572 O SER A 42 5.074 -5.990 -6.887 1.00 0.00 O ATOM 573 CB SER A 42 7.355 -6.441 -8.600 1.00 0.00 C ATOM 574 OG SER A 42 7.214 -6.539 -10.011 1.00 0.00 O ATOM 0 HA SER A 42 7.286 -8.296 -7.517 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.993 -5.470 -8.262 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.410 -6.499 -8.332 1.00 0.00 H new ATOM 0 HG SER A 42 6.719 -7.355 -10.234 1.00 0.00 H new ATOM 580 N LEU A 43 5.946 -7.566 -5.550 1.00 0.00 N ATOM 581 CA LEU A 43 5.219 -7.103 -4.379 1.00 0.00 C ATOM 582 C LEU A 43 6.110 -7.109 -3.144 1.00 0.00 C ATOM 583 O LEU A 43 6.496 -8.162 -2.649 1.00 0.00 O ATOM 584 CB LEU A 43 3.987 -7.982 -4.134 1.00 0.00 C ATOM 585 CG LEU A 43 2.635 -7.261 -4.211 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.576 -6.113 -3.212 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.377 -6.754 -5.623 1.00 0.00 C ATOM 0 H LEU A 43 6.554 -8.368 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 43 4.897 -6.079 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.989 -8.792 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.079 -8.440 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 43 1.854 -7.977 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.608 -5.617 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.709 -6.502 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.368 -5.398 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.413 -6.246 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.165 -6.057 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.368 -7.596 -6.316 1.00 0.00 H new ATOM 599 N GLY A 44 6.446 -5.928 -2.664 1.00 0.00 N ATOM 600 CA GLY A 44 7.164 -5.809 -1.412 1.00 0.00 C ATOM 601 C GLY A 44 6.376 -4.984 -0.421 1.00 0.00 C ATOM 602 O GLY A 44 6.178 -3.787 -0.623 1.00 0.00 O ATOM 0 H GLY A 44 6.234 -5.041 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.352 -6.800 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.135 -5.347 -1.587 1.00 0.00 H new ATOM 606 N CYS A 45 5.915 -5.621 0.643 1.00 0.00 N ATOM 607 CA CYS A 45 5.047 -4.961 1.602 1.00 0.00 C ATOM 608 C CYS A 45 5.174 -5.613 2.971 1.00 0.00 C ATOM 609 O CYS A 45 5.916 -6.576 3.136 1.00 0.00 O ATOM 610 CB CYS A 45 3.597 -5.022 1.116 1.00 0.00 C ATOM 611 SG CYS A 45 2.509 -3.743 1.832 1.00 0.00 S ATOM 0 H CYS A 45 6.128 -6.594 0.864 1.00 0.00 H new ATOM 0 HA CYS A 45 5.348 -3.917 1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.586 -4.925 0.030 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.188 -6.004 1.353 1.00 0.00 H new ATOM 616 N VAL A 46 4.456 -5.079 3.945 1.00 0.00 N ATOM 617 CA VAL A 46 4.455 -5.636 5.287 1.00 0.00 C ATOM 618 C VAL A 46 3.036 -6.008 5.691 1.00 0.00 C ATOM 619 O VAL A 46 2.069 -5.497 5.118 1.00 0.00 O ATOM 620 CB VAL A 46 5.037 -4.651 6.324 1.00 0.00 C ATOM 621 CG1 VAL A 46 6.556 -4.729 6.336 1.00 0.00 C ATOM 622 CG2 VAL A 46 4.567 -3.230 6.043 1.00 0.00 C ATOM 0 H VAL A 46 3.864 -4.257 3.830 1.00 0.00 H new ATOM 0 HA VAL A 46 5.089 -6.523 5.272 1.00 0.00 H new ATOM 0 HB VAL A 46 4.673 -4.935 7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.950 -4.029 7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.866 -5.741 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.941 -4.473 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.989 -2.553 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.896 -2.928 5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.479 -3.190 6.093 1.00 0.00 H new ATOM 632 N VAL A 47 2.920 -6.902 6.663 1.00 0.00 N ATOM 633 CA VAL A 47 1.621 -7.337 7.153 1.00 0.00 C ATOM 634 C VAL A 47 0.866 -6.164 7.763 1.00 0.00 C ATOM 635 O VAL A 47 1.380 -5.478 8.646 1.00 0.00 O ATOM 636 CB VAL A 47 1.761 -8.460 8.203 1.00 0.00 C ATOM 637 CG1 VAL A 47 0.400 -9.051 8.550 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.707 -9.545 7.706 1.00 0.00 C ATOM 0 H VAL A 47 3.714 -7.341 7.129 1.00 0.00 H new ATOM 0 HA VAL A 47 1.063 -7.728 6.302 1.00 0.00 H new ATOM 0 HB VAL A 47 2.183 -8.026 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.524 -9.840 9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.243 -8.270 8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.056 -9.466 7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.792 -10.327 8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.317 -9.973 6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.690 -9.113 7.519 1.00 0.00 H new ATOM 648 N GLY A 48 -0.341 -5.935 7.268 1.00 0.00 N ATOM 649 CA GLY A 48 -1.152 -4.839 7.750 1.00 0.00 C ATOM 650 C GLY A 48 -1.518 -5.000 9.207 1.00 0.00 C ATOM 651 O GLY A 48 -1.895 -6.088 9.642 1.00 0.00 O ATOM 0 H GLY A 48 -0.775 -6.495 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.612 -3.902 7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.062 -4.772 7.153 1.00 0.00 H new ATOM 655 N VAL A 49 -1.401 -3.916 9.958 1.00 0.00 N ATOM 656 CA VAL A 49 -1.693 -3.934 11.382 1.00 0.00 C ATOM 657 C VAL A 49 -3.184 -4.137 11.629 1.00 0.00 C ATOM 658 O VAL A 49 -3.975 -3.193 11.549 1.00 0.00 O ATOM 659 CB VAL A 49 -1.237 -2.630 12.069 1.00 0.00 C ATOM 660 CG1 VAL A 49 -1.265 -2.785 13.581 1.00 0.00 C ATOM 661 CG2 VAL A 49 0.152 -2.237 11.596 1.00 0.00 C ATOM 0 H VAL A 49 -1.104 -3.008 9.602 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.138 -4.769 11.811 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.930 -1.835 11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.940 -1.855 14.048 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.280 -3.018 13.904 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.595 -3.593 13.876 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.458 -1.315 12.091 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.858 -3.031 11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.139 -2.082 10.517 1.00 0.00 H new ATOM 671 N ILE A 50 -3.560 -5.377 11.910 1.00 0.00 N ATOM 672 CA ILE A 50 -4.942 -5.708 12.216 1.00 0.00 C ATOM 673 C ILE A 50 -5.410 -4.947 13.450 1.00 0.00 C ATOM 674 O ILE A 50 -4.829 -5.067 14.529 1.00 0.00 O ATOM 675 CB ILE A 50 -5.134 -7.224 12.437 1.00 0.00 C ATOM 676 CG1 ILE A 50 -3.913 -7.833 13.135 1.00 0.00 C ATOM 677 CG2 ILE A 50 -5.385 -7.918 11.105 1.00 0.00 C ATOM 678 CD1 ILE A 50 -4.113 -9.275 13.551 1.00 0.00 C ATOM 0 H ILE A 50 -2.923 -6.173 11.932 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.543 -5.413 11.356 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.001 -7.372 13.082 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.054 -7.772 12.467 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.674 -7.238 14.017 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.519 -8.987 11.271 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.283 -7.507 10.644 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.533 -7.758 10.445 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.210 -9.642 14.039 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.952 -9.341 14.244 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.322 -9.882 12.670 1.00 0.00 H new ATOM 690 N GLY A 51 -6.443 -4.141 13.276 1.00 0.00 N ATOM 691 CA GLY A 51 -6.941 -3.324 14.364 1.00 0.00 C ATOM 692 C GLY A 51 -6.709 -1.848 14.116 1.00 0.00 C ATOM 693 O GLY A 51 -7.186 -1.001 14.870 1.00 0.00 O ATOM 0 H GLY A 51 -6.949 -4.036 12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.008 -3.506 14.496 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.450 -3.617 15.292 1.00 0.00 H new ATOM 697 N SER A 52 -5.965 -1.534 13.068 1.00 0.00 N ATOM 698 CA SER A 52 -5.693 -0.147 12.721 1.00 0.00 C ATOM 699 C SER A 52 -6.279 0.196 11.355 1.00 0.00 C ATOM 700 O SER A 52 -6.474 -0.683 10.513 1.00 0.00 O ATOM 701 CB SER A 52 -4.188 0.112 12.727 1.00 0.00 C ATOM 702 OG SER A 52 -3.578 -0.484 13.859 1.00 0.00 O ATOM 0 H SER A 52 -5.539 -2.219 12.443 1.00 0.00 H new ATOM 0 HA SER A 52 -6.166 0.491 13.467 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.742 -0.287 11.816 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.999 1.186 12.730 1.00 0.00 H new ATOM 0 HG SER A 52 -2.614 -0.307 13.842 1.00 0.00 H new ATOM 708 N GLN A 53 -6.575 1.472 11.151 1.00 0.00 N ATOM 709 CA GLN A 53 -7.089 1.942 9.873 1.00 0.00 C ATOM 710 C GLN A 53 -5.942 2.218 8.912 1.00 0.00 C ATOM 711 O GLN A 53 -4.836 2.558 9.331 1.00 0.00 O ATOM 712 CB GLN A 53 -7.925 3.205 10.069 1.00 0.00 C ATOM 713 CG GLN A 53 -9.398 2.926 10.309 1.00 0.00 C ATOM 714 CD GLN A 53 -10.188 4.189 10.580 1.00 0.00 C ATOM 715 OE1 GLN A 53 -10.961 4.644 9.739 1.00 0.00 O ATOM 716 NE2 GLN A 53 -10.000 4.765 11.755 1.00 0.00 N ATOM 0 H GLN A 53 -6.468 2.201 11.856 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.724 1.165 9.448 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.527 3.767 10.914 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.822 3.839 9.188 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.815 2.419 9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.503 2.246 11.155 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.349 4.356 12.425 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.506 5.619 11.991 1.00 0.00 H new ATOM 725 N CYS A 54 -6.213 2.074 7.627 1.00 0.00 N ATOM 726 CA CYS A 54 -5.197 2.247 6.604 1.00 0.00 C ATOM 727 C CYS A 54 -5.732 3.059 5.432 1.00 0.00 C ATOM 728 O CYS A 54 -6.542 2.573 4.642 1.00 0.00 O ATOM 729 CB CYS A 54 -4.722 0.882 6.107 1.00 0.00 C ATOM 730 SG CYS A 54 -2.912 0.731 5.923 1.00 0.00 S ATOM 0 H CYS A 54 -7.136 1.836 7.265 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.360 2.789 7.045 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.069 0.116 6.801 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.191 0.677 5.145 1.00 0.00 H new ATOM 735 N GLY A 55 -5.290 4.304 5.332 1.00 0.00 N ATOM 736 CA GLY A 55 -5.636 5.122 4.189 1.00 0.00 C ATOM 737 C GLY A 55 -4.599 4.995 3.091 1.00 0.00 C ATOM 738 O GLY A 55 -3.979 5.983 2.698 1.00 0.00 O ATOM 0 H GLY A 55 -4.697 4.763 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.612 4.824 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.719 6.165 4.496 1.00 0.00 H new ATOM 742 N ALA A 56 -4.400 3.771 2.614 1.00 0.00 N ATOM 743 CA ALA A 56 -3.395 3.489 1.599 1.00 0.00 C ATOM 744 C ALA A 56 -3.831 2.313 0.734 1.00 0.00 C ATOM 745 O ALA A 56 -4.990 1.898 0.783 1.00 0.00 O ATOM 746 CB ALA A 56 -2.048 3.199 2.250 1.00 0.00 C ATOM 0 H ALA A 56 -4.927 2.953 2.918 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.289 4.368 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.308 2.990 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.731 4.065 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.140 2.334 2.907 1.00 0.00 H new ATOM 752 N SER A 57 -2.905 1.773 -0.045 1.00 0.00 N ATOM 753 CA SER A 57 -3.202 0.653 -0.922 1.00 0.00 C ATOM 754 C SER A 57 -3.178 -0.660 -0.144 1.00 0.00 C ATOM 755 O SER A 57 -2.116 -1.251 0.069 1.00 0.00 O ATOM 756 CB SER A 57 -2.193 0.610 -2.072 1.00 0.00 C ATOM 757 OG SER A 57 -1.250 1.668 -1.961 1.00 0.00 O ATOM 0 H SER A 57 -1.938 2.095 -0.086 1.00 0.00 H new ATOM 0 HA SER A 57 -4.202 0.787 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.673 -0.348 -2.069 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.718 0.684 -3.024 1.00 0.00 H new ATOM 0 HG SER A 57 -0.617 1.468 -1.240 1.00 0.00 H new ATOM 763 N VAL A 58 -4.350 -1.099 0.290 1.00 0.00 N ATOM 764 CA VAL A 58 -4.484 -2.361 1.000 1.00 0.00 C ATOM 765 C VAL A 58 -4.483 -3.522 0.013 1.00 0.00 C ATOM 766 O VAL A 58 -5.137 -3.461 -1.031 1.00 0.00 O ATOM 767 CB VAL A 58 -5.780 -2.414 1.837 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.748 -3.587 2.803 1.00 0.00 C ATOM 769 CG2 VAL A 58 -5.999 -1.105 2.583 1.00 0.00 C ATOM 0 H VAL A 58 -5.228 -0.595 0.161 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.633 -2.443 1.676 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.618 -2.557 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.671 -3.606 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.652 -4.517 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.898 -3.480 3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.918 -1.167 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.158 -0.922 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.078 -0.287 1.867 1.00 0.00 H new ATOM 779 N LYS A 59 -3.741 -4.567 0.334 1.00 0.00 N ATOM 780 CA LYS A 59 -3.654 -5.735 -0.523 1.00 0.00 C ATOM 781 C LYS A 59 -3.921 -6.998 0.272 1.00 0.00 C ATOM 782 O LYS A 59 -3.731 -7.033 1.487 1.00 0.00 O ATOM 783 CB LYS A 59 -2.275 -5.843 -1.185 1.00 0.00 C ATOM 784 CG LYS A 59 -1.546 -4.520 -1.333 1.00 0.00 C ATOM 785 CD LYS A 59 -1.203 -4.247 -2.786 1.00 0.00 C ATOM 786 CE LYS A 59 -1.927 -3.018 -3.307 1.00 0.00 C ATOM 787 NZ LYS A 59 -1.048 -2.161 -4.150 1.00 0.00 N ATOM 0 H LYS A 59 -3.187 -4.630 1.188 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.409 -5.623 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.656 -6.522 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.393 -6.291 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.167 -3.713 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.634 -4.535 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.127 -4.107 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.470 -5.112 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.794 -3.329 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.301 -2.435 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.585 -1.335 -4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.233 -1.841 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.711 -2.708 -4.968 1.00 0.00 H new ATOM 801 N CYS A 60 -4.367 -8.020 -0.422 1.00 0.00 N ATOM 802 CA CYS A 60 -4.541 -9.334 0.162 1.00 0.00 C ATOM 803 C CYS A 60 -3.833 -10.354 -0.710 1.00 0.00 C ATOM 804 O CYS A 60 -4.273 -10.639 -1.822 1.00 0.00 O ATOM 805 CB CYS A 60 -6.029 -9.676 0.280 1.00 0.00 C ATOM 806 SG CYS A 60 -6.868 -8.877 1.686 1.00 0.00 S ATOM 0 H CYS A 60 -4.620 -7.966 -1.409 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.113 -9.347 1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.532 -9.385 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.136 -10.757 0.374 1.00 0.00 H new ATOM 811 N CYS A 61 -2.726 -10.886 -0.226 1.00 0.00 N ATOM 812 CA CYS A 61 -1.916 -11.777 -1.041 1.00 0.00 C ATOM 813 C CYS A 61 -1.701 -13.126 -0.371 1.00 0.00 C ATOM 814 O CYS A 61 -1.563 -13.221 0.850 1.00 0.00 O ATOM 815 CB CYS A 61 -0.569 -11.130 -1.361 1.00 0.00 C ATOM 816 SG CYS A 61 -0.690 -9.594 -2.341 1.00 0.00 S ATOM 0 H CYS A 61 -2.369 -10.721 0.715 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.462 -11.952 -1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.052 -10.912 -0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.046 -11.847 -1.905 1.00 0.00 H new ATOM 821 N LYS A 62 -1.718 -14.167 -1.186 1.00 0.00 N ATOM 822 CA LYS A 62 -1.377 -15.503 -0.748 1.00 0.00 C ATOM 823 C LYS A 62 -0.039 -15.878 -1.349 1.00 0.00 C ATOM 824 O LYS A 62 0.132 -15.900 -2.577 1.00 0.00 O ATOM 825 CB LYS A 62 -2.443 -16.517 -1.157 1.00 0.00 C ATOM 826 CG LYS A 62 -2.390 -17.807 -0.359 1.00 0.00 C ATOM 827 CD LYS A 62 -3.513 -17.878 0.659 1.00 0.00 C ATOM 828 CE LYS A 62 -3.007 -18.341 2.017 1.00 0.00 C ATOM 829 NZ LYS A 62 -3.720 -19.555 2.492 1.00 0.00 N ATOM 0 H LYS A 62 -1.970 -14.106 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.321 -15.516 0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.428 -16.065 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.325 -16.749 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.457 -18.658 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.430 -17.881 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.978 -16.897 0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.284 -18.562 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.939 -18.549 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.133 -17.539 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.078 -20.128 3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.545 -19.273 3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.036 -20.114 1.674 1.00 0.00 H new ATOM 843 N ASP A 63 0.901 -16.158 -0.475 1.00 0.00 N ATOM 844 CA ASP A 63 2.275 -16.395 -0.866 1.00 0.00 C ATOM 845 C ASP A 63 2.894 -17.463 0.018 1.00 0.00 C ATOM 846 O ASP A 63 2.199 -18.120 0.798 1.00 0.00 O ATOM 847 CB ASP A 63 3.084 -15.099 -0.737 1.00 0.00 C ATOM 848 CG ASP A 63 3.087 -14.558 0.684 1.00 0.00 C ATOM 849 OD1 ASP A 63 3.780 -15.136 1.549 1.00 0.00 O ATOM 850 OD2 ASP A 63 2.397 -13.555 0.950 1.00 0.00 O ATOM 0 H ASP A 63 0.736 -16.228 0.529 1.00 0.00 H new ATOM 0 HA ASP A 63 2.290 -16.733 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.110 -15.281 -1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.670 -14.347 -1.409 1.00 0.00 H new ATOM 855 N ASP A 64 4.198 -17.625 -0.115 1.00 0.00 N ATOM 856 CA ASP A 64 4.961 -18.508 0.749 1.00 0.00 C ATOM 857 C ASP A 64 6.307 -17.868 1.067 1.00 0.00 C ATOM 858 O ASP A 64 7.363 -18.483 0.902 1.00 0.00 O ATOM 859 CB ASP A 64 5.158 -19.871 0.083 1.00 0.00 C ATOM 860 CG ASP A 64 5.660 -20.932 1.043 1.00 0.00 C ATOM 861 OD1 ASP A 64 5.703 -20.672 2.266 1.00 0.00 O ATOM 862 OD2 ASP A 64 6.019 -22.034 0.576 1.00 0.00 O ATOM 0 H ASP A 64 4.757 -17.149 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 64 4.411 -18.663 1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.212 -20.198 -0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.866 -19.769 -0.739 1.00 0.00 H new ATOM 867 N VAL A 65 6.266 -16.609 1.497 1.00 0.00 N ATOM 868 CA VAL A 65 7.484 -15.892 1.857 1.00 0.00 C ATOM 869 C VAL A 65 8.174 -16.587 3.015 1.00 0.00 C ATOM 870 O VAL A 65 7.568 -16.822 4.061 1.00 0.00 O ATOM 871 CB VAL A 65 7.211 -14.429 2.262 1.00 0.00 C ATOM 872 CG1 VAL A 65 8.509 -13.699 2.575 1.00 0.00 C ATOM 873 CG2 VAL A 65 6.448 -13.698 1.175 1.00 0.00 C ATOM 0 H VAL A 65 5.408 -16.068 1.604 1.00 0.00 H new ATOM 0 HA VAL A 65 8.118 -15.890 0.970 1.00 0.00 H new ATOM 0 HB VAL A 65 6.598 -14.445 3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.288 -12.670 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.019 -14.200 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.151 -13.704 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.268 -12.669 1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.032 -13.703 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.494 -14.196 1.002 1.00 0.00 H new ATOM 883 N THR A 66 9.431 -16.928 2.818 1.00 0.00 N ATOM 884 CA THR A 66 10.209 -17.589 3.844 1.00 0.00 C ATOM 885 C THR A 66 11.377 -16.712 4.270 1.00 0.00 C ATOM 886 O THR A 66 12.231 -16.356 3.454 1.00 0.00 O ATOM 887 CB THR A 66 10.720 -18.949 3.350 1.00 0.00 C ATOM 888 OG1 THR A 66 10.249 -19.183 2.012 1.00 0.00 O ATOM 889 CG2 THR A 66 10.238 -20.059 4.269 1.00 0.00 C ATOM 0 H THR A 66 9.938 -16.756 1.950 1.00 0.00 H new ATOM 0 HA THR A 66 9.563 -17.757 4.705 1.00 0.00 H new ATOM 0 HB THR A 66 11.810 -18.941 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.577 -20.051 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.608 -21.018 3.906 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.612 -19.884 5.278 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.148 -20.072 4.283 1.00 0.00 H new ATOM 897 N ASN A 67 11.405 -16.352 5.541 1.00 0.00 N ATOM 898 CA ASN A 67 12.403 -15.422 6.036 1.00 0.00 C ATOM 899 C ASN A 67 13.738 -16.104 6.284 1.00 0.00 C ATOM 900 O ASN A 67 13.941 -16.760 7.309 1.00 0.00 O ATOM 901 CB ASN A 67 11.937 -14.741 7.318 1.00 0.00 C ATOM 902 CG ASN A 67 12.872 -13.617 7.719 1.00 0.00 C ATOM 903 OD1 ASN A 67 13.328 -12.847 6.874 1.00 0.00 O ATOM 904 ND2 ASN A 67 13.176 -13.524 8.999 1.00 0.00 N ATOM 0 H ASN A 67 10.750 -16.689 6.247 1.00 0.00 H new ATOM 0 HA ASN A 67 12.537 -14.669 5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.931 -14.346 7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.882 -15.475 8.122 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.811 -12.793 9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.776 -14.183 9.667 1.00 0.00 H new ATOM 911 N THR A 68 14.642 -15.936 5.339 1.00 0.00 N ATOM 912 CA THR A 68 16.004 -16.414 5.479 1.00 0.00 C ATOM 913 C THR A 68 16.807 -15.444 6.346 1.00 0.00 C ATOM 914 O THR A 68 17.832 -15.791 6.932 1.00 0.00 O ATOM 915 CB THR A 68 16.660 -16.563 4.087 1.00 0.00 C ATOM 916 OG1 THR A 68 16.017 -17.615 3.355 1.00 0.00 O ATOM 917 CG2 THR A 68 18.145 -16.857 4.194 1.00 0.00 C ATOM 0 H THR A 68 14.454 -15.465 4.454 1.00 0.00 H new ATOM 0 HA THR A 68 15.992 -17.391 5.963 1.00 0.00 H new ATOM 0 HB THR A 68 16.539 -15.615 3.562 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.436 -17.703 2.473 1.00 0.00 H new ATOM 0 HG21 THR A 68 18.569 -16.955 3.195 1.00 0.00 H new ATOM 0 HG22 THR A 68 18.640 -16.041 4.721 1.00 0.00 H new ATOM 0 HG23 THR A 68 18.293 -17.787 4.744 1.00 0.00 H new ATOM 925 N GLY A 69 16.300 -14.227 6.446 1.00 0.00 N ATOM 926 CA GLY A 69 16.980 -13.190 7.190 1.00 0.00 C ATOM 927 C GLY A 69 16.820 -11.844 6.530 1.00 0.00 C ATOM 928 O GLY A 69 17.799 -11.152 6.251 1.00 0.00 O ATOM 0 H GLY A 69 15.420 -13.937 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.584 -13.149 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 69 18.039 -13.433 7.271 1.00 0.00 H new ATOM 932 N ASN A 70 15.580 -11.473 6.269 1.00 0.00 N ATOM 933 CA ASN A 70 15.289 -10.230 5.580 1.00 0.00 C ATOM 934 C ASN A 70 14.617 -9.251 6.526 1.00 0.00 C ATOM 935 O ASN A 70 13.773 -9.640 7.338 1.00 0.00 O ATOM 936 CB ASN A 70 14.397 -10.485 4.362 1.00 0.00 C ATOM 937 CG ASN A 70 15.053 -10.043 3.067 1.00 0.00 C ATOM 938 OD1 ASN A 70 15.911 -9.162 3.067 1.00 0.00 O ATOM 939 ND2 ASN A 70 14.663 -10.656 1.958 1.00 0.00 N ATOM 0 H ASN A 70 14.756 -12.017 6.525 1.00 0.00 H new ATOM 0 HA ASN A 70 16.229 -9.799 5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.161 -11.547 4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.453 -9.955 4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 70 15.078 -10.402 1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.948 -11.382 2.001 1.00 0.00 H new ATOM 946 N SER A 71 15.002 -7.987 6.428 1.00 0.00 N ATOM 947 CA SER A 71 14.437 -6.944 7.271 1.00 0.00 C ATOM 948 C SER A 71 12.938 -6.812 7.022 1.00 0.00 C ATOM 949 O SER A 71 12.137 -6.853 7.953 1.00 0.00 O ATOM 950 CB SER A 71 15.149 -5.619 6.998 1.00 0.00 C ATOM 951 OG SER A 71 16.292 -5.828 6.179 1.00 0.00 O ATOM 0 H SER A 71 15.708 -7.658 5.769 1.00 0.00 H new ATOM 0 HA SER A 71 14.583 -7.213 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.465 -4.926 6.508 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.448 -5.159 7.940 1.00 0.00 H new ATOM 0 HG SER A 71 16.736 -4.970 6.012 1.00 0.00 H new ATOM 957 N PHE A 72 12.567 -6.680 5.759 1.00 0.00 N ATOM 958 CA PHE A 72 11.165 -6.618 5.386 1.00 0.00 C ATOM 959 C PHE A 72 10.822 -7.810 4.499 1.00 0.00 C ATOM 960 O PHE A 72 11.671 -8.299 3.751 1.00 0.00 O ATOM 961 CB PHE A 72 10.851 -5.278 4.698 1.00 0.00 C ATOM 962 CG PHE A 72 10.734 -5.345 3.199 1.00 0.00 C ATOM 963 CD1 PHE A 72 11.867 -5.289 2.399 1.00 0.00 C ATOM 964 CD2 PHE A 72 9.494 -5.457 2.592 1.00 0.00 C ATOM 965 CE1 PHE A 72 11.761 -5.347 1.024 1.00 0.00 C ATOM 966 CE2 PHE A 72 9.384 -5.515 1.219 1.00 0.00 C ATOM 967 CZ PHE A 72 10.518 -5.459 0.432 1.00 0.00 C ATOM 0 H PHE A 72 13.217 -6.614 4.976 1.00 0.00 H new ATOM 0 HA PHE A 72 10.544 -6.672 6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.917 -4.889 5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.633 -4.563 4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.841 -5.199 2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.603 -5.499 3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.649 -5.305 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.411 -5.604 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.433 -5.503 -0.644 1.00 0.00 H new ATOM 977 N LEU A 73 9.591 -8.282 4.597 1.00 0.00 N ATOM 978 CA LEU A 73 9.178 -9.478 3.879 1.00 0.00 C ATOM 979 C LEU A 73 8.809 -9.162 2.432 1.00 0.00 C ATOM 980 O LEU A 73 7.709 -8.690 2.146 1.00 0.00 O ATOM 981 CB LEU A 73 7.998 -10.147 4.592 1.00 0.00 C ATOM 982 CG LEU A 73 6.925 -9.193 5.126 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.576 -9.511 4.503 1.00 0.00 C ATOM 984 CD2 LEU A 73 6.846 -9.272 6.643 1.00 0.00 C ATOM 0 H LEU A 73 8.860 -7.856 5.166 1.00 0.00 H new ATOM 0 HA LEU A 73 10.023 -10.166 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.527 -10.846 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.385 -10.734 5.425 1.00 0.00 H new ATOM 0 HG LEU A 73 7.201 -8.175 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.824 -8.824 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.640 -9.402 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.294 -10.535 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.078 -8.587 7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.594 -10.290 6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.809 -8.996 7.072 1.00 0.00 H new ATOM 996 N ILE A 74 9.739 -9.403 1.522 1.00 0.00 N ATOM 997 CA ILE A 74 9.446 -9.304 0.106 1.00 0.00 C ATOM 998 C ILE A 74 8.511 -10.434 -0.293 1.00 0.00 C ATOM 999 O ILE A 74 8.800 -11.603 -0.047 1.00 0.00 O ATOM 1000 CB ILE A 74 10.719 -9.362 -0.767 1.00 0.00 C ATOM 1001 CG1 ILE A 74 11.928 -8.802 -0.006 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.501 -8.600 -2.064 1.00 0.00 C ATOM 1003 CD1 ILE A 74 13.242 -8.990 -0.731 1.00 0.00 C ATOM 0 H ILE A 74 10.700 -9.668 1.740 1.00 0.00 H new ATOM 0 HA ILE A 74 8.977 -8.335 -0.064 1.00 0.00 H new ATOM 0 HB ILE A 74 10.926 -10.405 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 74 11.772 -7.739 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.988 -9.286 0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.405 -8.648 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.672 -9.046 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.270 -7.559 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.051 -8.570 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 74 13.422 -10.053 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.202 -8.482 -1.695 1.00 0.00 H new ATOM 1015 N ILE A 75 7.399 -10.084 -0.910 1.00 0.00 N ATOM 1016 CA ILE A 75 6.377 -11.055 -1.245 1.00 0.00 C ATOM 1017 C ILE A 75 6.601 -11.591 -2.648 1.00 0.00 C ATOM 1018 O ILE A 75 7.074 -10.880 -3.535 1.00 0.00 O ATOM 1019 CB ILE A 75 4.959 -10.438 -1.157 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.826 -9.571 0.095 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.887 -11.521 -1.168 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.885 -8.401 -0.082 1.00 0.00 C ATOM 0 H ILE A 75 7.180 -9.128 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 75 6.448 -11.868 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 75 4.814 -9.808 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.474 -10.189 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.811 -9.197 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.902 -11.059 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.960 -12.096 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.031 -12.185 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.838 -7.829 0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.248 -7.761 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.890 -8.769 -0.332 1.00 0.00 H new ATOM 1034 N ASN A 76 6.268 -12.855 -2.838 1.00 0.00 N ATOM 1035 CA ASN A 76 6.374 -13.490 -4.144 1.00 0.00 C ATOM 1036 C ASN A 76 5.224 -13.047 -5.042 1.00 0.00 C ATOM 1037 O ASN A 76 5.140 -13.448 -6.203 1.00 0.00 O ATOM 1038 CB ASN A 76 6.355 -15.010 -3.983 1.00 0.00 C ATOM 1039 CG ASN A 76 7.107 -15.725 -5.087 1.00 0.00 C ATOM 1040 OD1 ASN A 76 7.619 -15.101 -6.019 1.00 0.00 O ATOM 1041 ND2 ASN A 76 7.171 -17.043 -4.998 1.00 0.00 N ATOM 0 H ASN A 76 5.919 -13.467 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 76 7.314 -13.190 -4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.793 -15.275 -3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.322 -15.357 -3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.657 -17.580 -5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.734 -17.523 -4.211 1.00 0.00 H new ATOM 1048 N ALA A 77 4.360 -12.200 -4.484 1.00 0.00 N ATOM 1049 CA ALA A 77 3.149 -11.741 -5.150 1.00 0.00 C ATOM 1050 C ALA A 77 2.208 -12.911 -5.382 1.00 0.00 C ATOM 1051 O ALA A 77 1.395 -13.230 -4.519 1.00 0.00 O ATOM 1052 CB ALA A 77 3.477 -11.022 -6.454 1.00 0.00 C ATOM 0 H ALA A 77 4.485 -11.812 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 77 2.647 -11.021 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.554 -10.691 -6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.108 -10.158 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.005 -11.703 -7.122 1.00 0.00 H new ATOM 1058 N ALA A 78 2.361 -13.561 -6.533 1.00 0.00 N ATOM 1059 CA ALA A 78 1.553 -14.717 -6.903 1.00 0.00 C ATOM 1060 C ALA A 78 0.061 -14.422 -6.771 1.00 0.00 C ATOM 1061 O ALA A 78 -0.550 -13.836 -7.668 1.00 0.00 O ATOM 1062 CB ALA A 78 1.940 -15.930 -6.062 1.00 0.00 C ATOM 0 H ALA A 78 3.051 -13.299 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 78 1.752 -14.942 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.327 -16.784 -6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.991 -16.166 -6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.778 -15.708 -5.007 1.00 0.00 H new ATOM 1068 N ASN A 79 -0.513 -14.797 -5.637 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.937 -14.647 -5.416 1.00 0.00 C ATOM 1070 C ASN A 79 -2.229 -13.309 -4.755 1.00 0.00 C ATOM 1071 O ASN A 79 -2.461 -13.248 -3.554 1.00 0.00 O ATOM 1072 CB ASN A 79 -2.452 -15.780 -4.524 1.00 0.00 C ATOM 1073 CG ASN A 79 -2.027 -17.154 -5.002 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -2.688 -17.761 -5.842 1.00 0.00 O ATOM 1075 ND2 ASN A 79 -0.920 -17.654 -4.471 1.00 0.00 N ATOM 0 H ASN A 79 -0.007 -15.210 -4.853 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.444 -14.688 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.089 -15.627 -3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.540 -15.737 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.588 -18.575 -4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.400 -17.118 -3.776 1.00 0.00 H new ATOM 1082 N CYS A 80 -2.229 -12.241 -5.528 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.448 -10.918 -4.963 1.00 0.00 C ATOM 1084 C CYS A 80 -3.753 -10.322 -5.473 1.00 0.00 C ATOM 1085 O CYS A 80 -4.025 -10.325 -6.675 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.278 -9.990 -5.301 1.00 0.00 C ATOM 1087 SG CYS A 80 0.122 -10.092 -4.135 1.00 0.00 S ATOM 0 H CYS A 80 -2.082 -12.258 -6.537 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.514 -11.019 -3.880 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.919 -10.227 -6.303 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.640 -8.962 -5.327 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.564 -9.836 -4.546 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.832 -9.205 -4.873 1.00 0.00 C ATOM 1094 C VAL A 81 -6.027 -7.966 -4.014 1.00 0.00 C ATOM 1095 O VAL A 81 -5.387 -7.825 -2.969 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.040 -10.151 -4.666 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.675 -10.504 -6.001 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.636 -11.413 -3.914 1.00 0.00 C ATOM 0 H VAL A 81 -4.361 -9.868 -3.547 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.791 -8.942 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.776 -9.624 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.522 -11.170 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.019 -9.594 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.940 -11.002 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.508 -12.055 -3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.873 -11.946 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.238 -11.142 -2.936 1.00 0.00 H new ATOM 1108 N ALA A 82 -6.892 -7.069 -4.463 1.00 0.00 N ATOM 1109 CA ALA A 82 -7.197 -5.859 -3.719 1.00 0.00 C ATOM 1110 C ALA A 82 -8.699 -5.610 -3.711 1.00 0.00 C ATOM 1111 O ALA A 82 -9.356 -5.939 -2.703 1.00 0.00 O ATOM 1112 CB ALA A 82 -6.462 -4.668 -4.320 1.00 0.00 C ATOM 1113 OXT ALA A 82 -9.227 -5.114 -4.729 1.00 0.00 O ATOM 0 H ALA A 82 -7.397 -7.159 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.861 -5.988 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.700 -3.769 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.387 -4.847 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.771 -4.535 -5.357 1.00 0.00 H new