USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 66 THR OG1 : rot 180:sc= 0.0781 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.117 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.188 K(o=0.19,f=-1.6!) USER MOD Single : A 8 THR OG1 : rot -58:sc= 0.865 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.811 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0797 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0508 USER MOD Single : A 33 ASN : amide:sc= 0.206 K(o=0.21,f=-8.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -140:sc= -0.287 USER MOD Single : A 53 GLN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.013 USER MOD Single : A 59 LYS NZ :NH3+ -137:sc= 1.19 (180deg=-0.509) USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= 1.31 (180deg=1.26) USER MOD Single : A 67 ASN : amide:sc= -0.344 K(o=-0.34,f=-2.5!) USER MOD Single : A 70 ASN : amide:sc= 0.0494 K(o=0.049,f=-0.64) USER MOD Single : A 71 SER OG : rot 180:sc= 0.128 USER MOD Single : A 76 ASN : amide:sc= 1.16 K(o=1.2,f=-0.22) USER MOD Single : A 79 ASN : amide:sc= 0.45 X(o=0.45,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.255 7.169 7.875 1.00 0.00 N ATOM 2 CA ALA A 1 -7.463 6.110 7.211 1.00 0.00 C ATOM 3 C ALA A 1 -8.276 4.831 7.129 1.00 0.00 C ATOM 4 O ALA A 1 -9.264 4.672 7.846 1.00 0.00 O ATOM 5 CB ALA A 1 -6.162 5.862 7.962 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.445 7.936 7.199 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.156 6.771 8.209 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.721 7.546 8.684 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.217 6.440 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.594 5.080 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.574 6.780 7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.385 5.548 8.982 1.00 0.00 H new ATOM 13 N THR A 2 -7.866 3.917 6.266 1.00 0.00 N ATOM 14 CA THR A 2 -8.567 2.656 6.120 1.00 0.00 C ATOM 15 C THR A 2 -8.183 1.697 7.237 1.00 0.00 C ATOM 16 O THR A 2 -7.016 1.331 7.385 1.00 0.00 O ATOM 17 CB THR A 2 -8.270 2.006 4.755 1.00 0.00 C ATOM 18 OG1 THR A 2 -8.403 2.984 3.715 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.211 0.841 4.483 1.00 0.00 C ATOM 0 H THR A 2 -7.054 4.025 5.658 1.00 0.00 H new ATOM 0 HA THR A 2 -9.635 2.866 6.179 1.00 0.00 H new ATOM 0 HB THR A 2 -7.249 1.624 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.212 2.568 2.848 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.977 0.403 3.513 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.090 0.087 5.260 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.241 1.198 4.481 1.00 0.00 H new ATOM 27 N THR A 3 -9.169 1.323 8.035 1.00 0.00 N ATOM 28 CA THR A 3 -8.966 0.364 9.102 1.00 0.00 C ATOM 29 C THR A 3 -9.181 -1.048 8.575 1.00 0.00 C ATOM 30 O THR A 3 -10.285 -1.400 8.158 1.00 0.00 O ATOM 31 CB THR A 3 -9.924 0.629 10.277 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.265 2.021 10.316 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.295 0.221 11.601 1.00 0.00 C ATOM 0 H THR A 3 -10.124 1.673 7.961 1.00 0.00 H new ATOM 0 HA THR A 3 -7.943 0.470 9.463 1.00 0.00 H new ATOM 0 HB THR A 3 -10.823 0.031 10.126 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.876 2.187 11.064 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.995 0.420 12.413 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.058 -0.843 11.579 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.381 0.793 11.761 1.00 0.00 H new ATOM 41 N ILE A 4 -8.122 -1.839 8.575 1.00 0.00 N ATOM 42 CA ILE A 4 -8.175 -3.187 8.038 1.00 0.00 C ATOM 43 C ILE A 4 -9.037 -4.094 8.911 1.00 0.00 C ATOM 44 O ILE A 4 -8.673 -4.407 10.042 1.00 0.00 O ATOM 45 CB ILE A 4 -6.761 -3.792 7.908 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.867 -2.878 7.066 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.828 -5.182 7.297 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.483 -2.675 7.644 1.00 0.00 C ATOM 0 H ILE A 4 -7.210 -1.568 8.943 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.623 -3.120 7.047 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.329 -3.878 8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.774 -3.299 6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.352 -1.908 6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.821 -5.592 7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.432 -5.830 7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.279 -5.123 6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.909 -2.016 6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.564 -2.225 8.633 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.977 -3.637 7.724 1.00 0.00 H new ATOM 60 N GLY A 5 -10.186 -4.494 8.386 1.00 0.00 N ATOM 61 CA GLY A 5 -11.054 -5.394 9.112 1.00 0.00 C ATOM 62 C GLY A 5 -10.530 -6.815 9.103 1.00 0.00 C ATOM 63 O GLY A 5 -9.820 -7.203 8.173 1.00 0.00 O ATOM 0 H GLY A 5 -10.532 -4.210 7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.154 -5.050 10.142 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.050 -5.372 8.671 1.00 0.00 H new ATOM 67 N PRO A 6 -10.868 -7.617 10.129 1.00 0.00 N ATOM 68 CA PRO A 6 -10.401 -9.006 10.248 1.00 0.00 C ATOM 69 C PRO A 6 -10.766 -9.845 9.027 1.00 0.00 C ATOM 70 O PRO A 6 -9.987 -10.684 8.577 1.00 0.00 O ATOM 71 CB PRO A 6 -11.119 -9.531 11.498 1.00 0.00 C ATOM 72 CG PRO A 6 -12.214 -8.554 11.771 1.00 0.00 C ATOM 73 CD PRO A 6 -11.728 -7.234 11.257 1.00 0.00 C ATOM 0 HA PRO A 6 -9.315 -9.062 10.318 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.519 -10.531 11.330 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.435 -9.599 12.344 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.136 -8.852 11.271 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.432 -8.501 12.838 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.553 -6.596 10.938 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.175 -6.683 12.018 1.00 0.00 H new ATOM 81 N ASN A 7 -11.948 -9.601 8.492 1.00 0.00 N ATOM 82 CA ASN A 7 -12.402 -10.278 7.287 1.00 0.00 C ATOM 83 C ASN A 7 -12.419 -9.297 6.123 1.00 0.00 C ATOM 84 O ASN A 7 -13.477 -8.821 5.707 1.00 0.00 O ATOM 85 CB ASN A 7 -13.794 -10.888 7.490 1.00 0.00 C ATOM 86 CG ASN A 7 -14.625 -10.149 8.527 1.00 0.00 C ATOM 87 OD1 ASN A 7 -14.660 -8.918 8.554 1.00 0.00 O ATOM 88 ND2 ASN A 7 -15.294 -10.893 9.391 1.00 0.00 N ATOM 0 H ASN A 7 -12.617 -8.934 8.875 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.710 -11.090 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.327 -10.887 6.539 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.687 -11.929 7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.864 -10.450 10.112 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.240 -11.910 9.337 1.00 0.00 H new ATOM 95 N THR A 8 -11.240 -8.986 5.614 1.00 0.00 N ATOM 96 CA THR A 8 -11.098 -8.036 4.524 1.00 0.00 C ATOM 97 C THR A 8 -11.550 -8.651 3.201 1.00 0.00 C ATOM 98 O THR A 8 -12.238 -8.012 2.405 1.00 0.00 O ATOM 99 CB THR A 8 -9.638 -7.575 4.403 1.00 0.00 C ATOM 100 OG1 THR A 8 -8.911 -7.972 5.575 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.556 -6.069 4.234 1.00 0.00 C ATOM 0 H THR A 8 -10.359 -9.382 5.942 1.00 0.00 H new ATOM 0 HA THR A 8 -11.731 -7.177 4.745 1.00 0.00 H new ATOM 0 HB THR A 8 -9.199 -8.042 3.521 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.333 -7.583 6.369 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.512 -5.769 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.091 -5.774 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.006 -5.581 5.098 1.00 0.00 H new ATOM 109 N CYS A 9 -11.161 -9.897 2.982 1.00 0.00 N ATOM 110 CA CYS A 9 -11.526 -10.613 1.772 1.00 0.00 C ATOM 111 C CYS A 9 -12.174 -11.947 2.129 1.00 0.00 C ATOM 112 O CYS A 9 -11.798 -12.585 3.115 1.00 0.00 O ATOM 113 CB CYS A 9 -10.286 -10.839 0.901 1.00 0.00 C ATOM 114 SG CYS A 9 -9.353 -9.320 0.517 1.00 0.00 S ATOM 0 H CYS A 9 -10.589 -10.436 3.632 1.00 0.00 H new ATOM 0 HA CYS A 9 -12.244 -10.016 1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.623 -11.540 1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -10.593 -11.309 -0.033 1.00 0.00 H new ATOM 119 N SER A 10 -13.143 -12.368 1.330 1.00 0.00 N ATOM 120 CA SER A 10 -13.862 -13.605 1.590 1.00 0.00 C ATOM 121 C SER A 10 -13.287 -14.742 0.752 1.00 0.00 C ATOM 122 O SER A 10 -13.915 -15.218 -0.192 1.00 0.00 O ATOM 123 CB SER A 10 -15.352 -13.421 1.296 1.00 0.00 C ATOM 124 OG SER A 10 -15.862 -12.274 1.955 1.00 0.00 O ATOM 0 H SER A 10 -13.450 -11.870 0.495 1.00 0.00 H new ATOM 0 HA SER A 10 -13.745 -13.863 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.505 -13.325 0.221 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.902 -14.305 1.619 1.00 0.00 H new ATOM 0 HG SER A 10 -16.815 -12.176 1.751 1.00 0.00 H new ATOM 130 N ILE A 11 -12.074 -15.155 1.093 1.00 0.00 N ATOM 131 CA ILE A 11 -11.408 -16.244 0.392 1.00 0.00 C ATOM 132 C ILE A 11 -10.765 -17.195 1.396 1.00 0.00 C ATOM 133 O ILE A 11 -11.287 -17.394 2.492 1.00 0.00 O ATOM 134 CB ILE A 11 -10.322 -15.739 -0.591 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.364 -14.214 -0.735 1.00 0.00 C ATOM 136 CG2 ILE A 11 -10.498 -16.398 -1.952 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.020 -13.593 -1.043 1.00 0.00 C ATOM 0 H ILE A 11 -11.529 -14.750 1.854 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.172 -16.761 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.349 -16.012 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.065 -13.952 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.751 -13.782 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.729 -16.035 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.409 -17.479 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.482 -16.152 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.130 -12.512 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.320 -13.823 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.640 -13.996 -1.982 1.00 0.00 H new ATOM 149 N ASP A 12 -9.628 -17.764 1.019 1.00 0.00 N ATOM 150 CA ASP A 12 -8.898 -18.671 1.898 1.00 0.00 C ATOM 151 C ASP A 12 -8.086 -17.877 2.916 1.00 0.00 C ATOM 152 O ASP A 12 -8.317 -16.681 3.108 1.00 0.00 O ATOM 153 CB ASP A 12 -7.971 -19.569 1.072 1.00 0.00 C ATOM 154 CG ASP A 12 -7.810 -20.950 1.672 1.00 0.00 C ATOM 155 OD1 ASP A 12 -7.095 -21.079 2.687 1.00 0.00 O ATOM 156 OD2 ASP A 12 -8.390 -21.914 1.129 1.00 0.00 O ATOM 0 H ASP A 12 -9.190 -17.614 0.110 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.614 -19.296 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.367 -19.660 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.992 -19.096 0.990 1.00 0.00 H new ATOM 161 N ASP A 13 -7.140 -18.543 3.568 1.00 0.00 N ATOM 162 CA ASP A 13 -6.248 -17.883 4.512 1.00 0.00 C ATOM 163 C ASP A 13 -5.365 -16.884 3.775 1.00 0.00 C ATOM 164 O ASP A 13 -4.359 -17.244 3.160 1.00 0.00 O ATOM 165 CB ASP A 13 -5.395 -18.922 5.255 1.00 0.00 C ATOM 166 CG ASP A 13 -4.140 -18.334 5.875 1.00 0.00 C ATOM 167 OD1 ASP A 13 -4.251 -17.479 6.775 1.00 0.00 O ATOM 168 OD2 ASP A 13 -3.027 -18.730 5.461 1.00 0.00 O ATOM 0 H ASP A 13 -6.971 -19.543 3.459 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.843 -17.344 5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.997 -19.384 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.113 -19.714 4.561 1.00 0.00 H new ATOM 173 N TYR A 14 -5.770 -15.627 3.811 1.00 0.00 N ATOM 174 CA TYR A 14 -5.052 -14.572 3.125 1.00 0.00 C ATOM 175 C TYR A 14 -4.717 -13.458 4.095 1.00 0.00 C ATOM 176 O TYR A 14 -5.488 -13.174 5.017 1.00 0.00 O ATOM 177 CB TYR A 14 -5.892 -14.019 1.970 1.00 0.00 C ATOM 178 CG TYR A 14 -5.634 -14.714 0.653 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.615 -14.291 -0.186 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.408 -15.798 0.253 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.368 -14.927 -1.387 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.170 -16.438 -0.948 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.150 -15.999 -1.765 1.00 0.00 C ATOM 184 OH TYR A 14 -4.907 -16.632 -2.963 1.00 0.00 O ATOM 0 H TYR A 14 -6.600 -15.312 4.313 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.128 -14.986 2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.948 -14.114 2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.685 -12.955 1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.004 -13.449 0.104 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.207 -16.145 0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.567 -14.587 -2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.780 -17.278 -1.245 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.544 -17.367 -3.080 1.00 0.00 H new ATOM 194 N LYS A 15 -3.570 -12.839 3.897 1.00 0.00 N ATOM 195 CA LYS A 15 -3.160 -11.736 4.740 1.00 0.00 C ATOM 196 C LYS A 15 -3.420 -10.415 4.036 1.00 0.00 C ATOM 197 O LYS A 15 -3.082 -10.253 2.863 1.00 0.00 O ATOM 198 CB LYS A 15 -1.675 -11.847 5.101 1.00 0.00 C ATOM 199 CG LYS A 15 -1.236 -13.246 5.488 1.00 0.00 C ATOM 200 CD LYS A 15 -0.017 -13.681 4.692 1.00 0.00 C ATOM 201 CE LYS A 15 0.956 -14.468 5.551 1.00 0.00 C ATOM 202 NZ LYS A 15 0.480 -15.857 5.799 1.00 0.00 N ATOM 0 H LYS A 15 -2.907 -13.081 3.161 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.744 -11.776 5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.079 -11.513 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.461 -11.169 5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.007 -13.276 6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.054 -13.946 5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.332 -14.291 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.484 -12.804 4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.929 -14.500 5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.095 -13.956 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.172 -16.361 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.437 -15.827 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.371 -16.354 4.892 1.00 0.00 H new ATOM 216 N PRO A 16 -4.058 -9.470 4.733 1.00 0.00 N ATOM 217 CA PRO A 16 -4.214 -8.111 4.239 1.00 0.00 C ATOM 218 C PRO A 16 -2.882 -7.373 4.264 1.00 0.00 C ATOM 219 O PRO A 16 -2.172 -7.393 5.264 1.00 0.00 O ATOM 220 CB PRO A 16 -5.213 -7.479 5.209 1.00 0.00 C ATOM 221 CG PRO A 16 -5.105 -8.281 6.461 1.00 0.00 C ATOM 222 CD PRO A 16 -4.683 -9.667 6.050 1.00 0.00 C ATOM 0 HA PRO A 16 -4.557 -8.073 3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.975 -6.431 5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.226 -7.511 4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.377 -7.840 7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.059 -8.307 6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.982 -10.100 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.536 -10.343 5.991 1.00 0.00 H new ATOM 230 N TYR A 17 -2.533 -6.745 3.158 1.00 0.00 N ATOM 231 CA TYR A 17 -1.243 -6.087 3.029 1.00 0.00 C ATOM 232 C TYR A 17 -1.411 -4.589 2.888 1.00 0.00 C ATOM 233 O TYR A 17 -2.308 -4.119 2.191 1.00 0.00 O ATOM 234 CB TYR A 17 -0.492 -6.627 1.813 1.00 0.00 C ATOM 235 CG TYR A 17 0.289 -7.890 2.087 1.00 0.00 C ATOM 236 CD1 TYR A 17 -0.346 -9.025 2.562 1.00 0.00 C ATOM 237 CD2 TYR A 17 1.655 -7.948 1.858 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.356 -10.187 2.805 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.367 -9.109 2.095 1.00 0.00 C ATOM 240 CZ TYR A 17 1.714 -10.227 2.569 1.00 0.00 C ATOM 241 OH TYR A 17 2.419 -11.386 2.802 1.00 0.00 O ATOM 0 H TYR A 17 -3.126 -6.675 2.331 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.671 -6.294 3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.207 -6.820 1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.192 -5.860 1.451 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.410 -9.000 2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.170 -7.074 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.156 -11.062 3.178 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.431 -9.140 1.910 1.00 0.00 H new ATOM 0 HH TYR A 17 3.364 -11.244 2.584 1.00 0.00 H new ATOM 251 N CYS A 18 -0.537 -3.849 3.543 1.00 0.00 N ATOM 252 CA CYS A 18 -0.518 -2.409 3.411 1.00 0.00 C ATOM 253 C CYS A 18 0.483 -2.030 2.335 1.00 0.00 C ATOM 254 O CYS A 18 1.688 -2.247 2.493 1.00 0.00 O ATOM 255 CB CYS A 18 -0.147 -1.743 4.741 1.00 0.00 C ATOM 256 SG CYS A 18 -0.738 -0.025 4.908 1.00 0.00 S ATOM 0 H CYS A 18 0.171 -4.225 4.174 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.512 -2.060 3.131 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.556 -2.337 5.558 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.937 -1.754 4.850 1.00 0.00 H new ATOM 261 N CYS A 19 -0.012 -1.494 1.233 1.00 0.00 N ATOM 262 CA CYS A 19 0.837 -1.151 0.107 1.00 0.00 C ATOM 263 C CYS A 19 0.306 0.078 -0.608 1.00 0.00 C ATOM 264 O CYS A 19 -0.866 0.424 -0.478 1.00 0.00 O ATOM 265 CB CYS A 19 0.919 -2.331 -0.867 1.00 0.00 C ATOM 266 SG CYS A 19 2.447 -2.379 -1.856 1.00 0.00 S ATOM 0 H CYS A 19 -1.001 -1.287 1.094 1.00 0.00 H new ATOM 0 HA CYS A 19 1.836 -0.928 0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.836 -3.260 -0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.064 -2.290 -1.542 1.00 0.00 H new ATOM 271 N GLN A 20 1.171 0.748 -1.352 1.00 0.00 N ATOM 272 CA GLN A 20 0.763 1.894 -2.142 1.00 0.00 C ATOM 273 C GLN A 20 1.484 1.895 -3.484 1.00 0.00 C ATOM 274 O GLN A 20 2.681 2.176 -3.568 1.00 0.00 O ATOM 275 CB GLN A 20 1.029 3.202 -1.385 1.00 0.00 C ATOM 276 CG GLN A 20 2.445 3.320 -0.843 1.00 0.00 C ATOM 277 CD GLN A 20 2.843 4.757 -0.562 1.00 0.00 C ATOM 278 OE1 GLN A 20 3.145 5.525 -1.479 1.00 0.00 O ATOM 279 NE2 GLN A 20 2.847 5.132 0.706 1.00 0.00 N ATOM 0 H GLN A 20 2.162 0.516 -1.424 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.309 1.821 -2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.834 4.043 -2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.325 3.281 -0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.529 2.737 0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.142 2.887 -1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.591 4.467 1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.106 6.087 0.955 1.00 0.00 H new ATOM 288 N SER A 21 0.753 1.558 -4.527 1.00 0.00 N ATOM 289 CA SER A 21 1.293 1.575 -5.875 1.00 0.00 C ATOM 290 C SER A 21 1.243 2.991 -6.434 1.00 0.00 C ATOM 291 O SER A 21 0.417 3.311 -7.290 1.00 0.00 O ATOM 292 CB SER A 21 0.500 0.615 -6.761 1.00 0.00 C ATOM 293 OG SER A 21 -0.256 -0.293 -5.970 1.00 0.00 O ATOM 0 H SER A 21 -0.223 1.267 -4.468 1.00 0.00 H new ATOM 0 HA SER A 21 2.333 1.249 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.167 1.180 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.182 0.062 -7.407 1.00 0.00 H new ATOM 0 HG SER A 21 -0.758 -0.898 -6.556 1.00 0.00 H new ATOM 299 N MET A 22 2.115 3.845 -5.919 1.00 0.00 N ATOM 300 CA MET A 22 2.146 5.240 -6.316 1.00 0.00 C ATOM 301 C MET A 22 3.473 5.581 -6.970 1.00 0.00 C ATOM 302 O MET A 22 4.500 4.969 -6.670 1.00 0.00 O ATOM 303 CB MET A 22 1.915 6.141 -5.103 1.00 0.00 C ATOM 304 CG MET A 22 0.843 7.194 -5.329 1.00 0.00 C ATOM 305 SD MET A 22 0.556 8.225 -3.878 1.00 0.00 S ATOM 306 CE MET A 22 -0.236 9.640 -4.638 1.00 0.00 C ATOM 0 H MET A 22 2.814 3.591 -5.221 1.00 0.00 H new ATOM 0 HA MET A 22 1.348 5.408 -7.040 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.634 5.524 -4.250 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.851 6.636 -4.844 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.134 7.828 -6.167 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.089 6.703 -5.609 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.480 10.376 -3.872 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.439 10.086 -5.368 1.00 0.00 H new ATOM 0 HE3 MET A 22 -1.150 9.320 -5.138 1.00 0.00 H new ATOM 316 N SER A 23 3.438 6.543 -7.874 1.00 0.00 N ATOM 317 CA SER A 23 4.631 6.992 -8.566 1.00 0.00 C ATOM 318 C SER A 23 5.421 7.973 -7.698 1.00 0.00 C ATOM 319 O SER A 23 4.972 8.363 -6.614 1.00 0.00 O ATOM 320 CB SER A 23 4.220 7.648 -9.882 1.00 0.00 C ATOM 321 OG SER A 23 2.819 7.520 -10.087 1.00 0.00 O ATOM 0 H SER A 23 2.586 7.033 -8.148 1.00 0.00 H new ATOM 0 HA SER A 23 5.276 6.138 -8.771 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.497 8.702 -9.872 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.758 7.185 -10.709 1.00 0.00 H new ATOM 0 HG SER A 23 2.572 7.947 -10.934 1.00 0.00 H new ATOM 327 N GLY A 24 6.590 8.381 -8.177 1.00 0.00 N ATOM 328 CA GLY A 24 7.425 9.288 -7.422 1.00 0.00 C ATOM 329 C GLY A 24 7.466 10.672 -8.035 1.00 0.00 C ATOM 330 O GLY A 24 6.465 11.388 -8.020 1.00 0.00 O ATOM 0 H GLY A 24 6.973 8.097 -9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.053 9.356 -6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.437 8.887 -7.367 1.00 0.00 H new ATOM 334 N PRO A 25 8.617 11.072 -8.592 1.00 0.00 N ATOM 335 CA PRO A 25 8.795 12.393 -9.186 1.00 0.00 C ATOM 336 C PRO A 25 8.376 12.445 -10.656 1.00 0.00 C ATOM 337 O PRO A 25 9.202 12.670 -11.547 1.00 0.00 O ATOM 338 CB PRO A 25 10.296 12.614 -9.046 1.00 0.00 C ATOM 339 CG PRO A 25 10.897 11.251 -9.154 1.00 0.00 C ATOM 340 CD PRO A 25 9.852 10.270 -8.675 1.00 0.00 C ATOM 0 HA PRO A 25 8.179 13.152 -8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.673 13.275 -9.827 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.539 13.079 -8.090 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.185 11.037 -10.183 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.801 11.179 -8.549 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.740 9.436 -9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.118 9.846 -7.707 1.00 0.00 H new ATOM 348 N ALA A 26 7.096 12.236 -10.909 1.00 0.00 N ATOM 349 CA ALA A 26 6.568 12.304 -12.263 1.00 0.00 C ATOM 350 C ALA A 26 6.142 13.727 -12.595 1.00 0.00 C ATOM 351 O ALA A 26 4.987 14.106 -12.394 1.00 0.00 O ATOM 352 CB ALA A 26 5.403 11.343 -12.433 1.00 0.00 C ATOM 0 H ALA A 26 6.401 12.017 -10.195 1.00 0.00 H new ATOM 0 HA ALA A 26 7.356 12.009 -12.956 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.022 11.409 -13.452 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.739 10.325 -12.237 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.610 11.605 -11.732 1.00 0.00 H new ATOM 358 N GLY A 27 7.087 14.514 -13.077 1.00 0.00 N ATOM 359 CA GLY A 27 6.807 15.887 -13.424 1.00 0.00 C ATOM 360 C GLY A 27 8.069 16.719 -13.481 1.00 0.00 C ATOM 361 O GLY A 27 8.749 16.743 -14.506 1.00 0.00 O ATOM 0 H GLY A 27 8.052 14.223 -13.235 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.304 15.923 -14.390 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.122 16.315 -12.692 1.00 0.00 H new ATOM 365 N SER A 28 8.389 17.379 -12.379 1.00 0.00 N ATOM 366 CA SER A 28 9.584 18.204 -12.293 1.00 0.00 C ATOM 367 C SER A 28 10.846 17.343 -12.397 1.00 0.00 C ATOM 368 O SER A 28 10.889 16.223 -11.879 1.00 0.00 O ATOM 369 CB SER A 28 9.565 18.984 -10.978 1.00 0.00 C ATOM 370 OG SER A 28 8.228 19.180 -10.531 1.00 0.00 O ATOM 0 H SER A 28 7.832 17.359 -11.525 1.00 0.00 H new ATOM 0 HA SER A 28 9.595 18.907 -13.126 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.132 18.443 -10.220 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.054 19.949 -11.114 1.00 0.00 H new ATOM 0 HG SER A 28 8.235 19.679 -9.688 1.00 0.00 H new ATOM 376 N PRO A 29 11.880 17.852 -13.082 1.00 0.00 N ATOM 377 CA PRO A 29 13.137 17.124 -13.279 1.00 0.00 C ATOM 378 C PRO A 29 13.903 16.899 -11.978 1.00 0.00 C ATOM 379 O PRO A 29 14.233 17.845 -11.264 1.00 0.00 O ATOM 380 CB PRO A 29 13.939 18.032 -14.216 1.00 0.00 C ATOM 381 CG PRO A 29 13.356 19.392 -14.032 1.00 0.00 C ATOM 382 CD PRO A 29 11.900 19.180 -13.721 1.00 0.00 C ATOM 0 HA PRO A 29 12.959 16.125 -13.677 1.00 0.00 H new ATOM 0 HB2 PRO A 29 14.999 18.020 -13.964 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.854 17.703 -15.252 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.855 19.924 -13.222 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.479 19.994 -14.932 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.514 19.952 -13.056 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.289 19.202 -14.623 1.00 0.00 H new ATOM 390 N GLY A 30 14.180 15.636 -11.681 1.00 0.00 N ATOM 391 CA GLY A 30 14.964 15.299 -10.509 1.00 0.00 C ATOM 392 C GLY A 30 16.450 15.383 -10.783 1.00 0.00 C ATOM 393 O GLY A 30 17.269 15.123 -9.899 1.00 0.00 O ATOM 0 H GLY A 30 13.874 14.835 -12.234 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.706 15.974 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.711 14.291 -10.180 1.00 0.00 H new ATOM 397 N LEU A 31 16.787 15.742 -12.020 1.00 0.00 N ATOM 398 CA LEU A 31 18.173 15.916 -12.450 1.00 0.00 C ATOM 399 C LEU A 31 18.961 14.613 -12.331 1.00 0.00 C ATOM 400 O LEU A 31 20.044 14.581 -11.739 1.00 0.00 O ATOM 401 CB LEU A 31 18.851 17.030 -11.649 1.00 0.00 C ATOM 402 CG LEU A 31 18.279 18.424 -11.892 1.00 0.00 C ATOM 403 CD1 LEU A 31 18.402 19.279 -10.642 1.00 0.00 C ATOM 404 CD2 LEU A 31 18.977 19.088 -13.069 1.00 0.00 C ATOM 0 H LEU A 31 16.103 15.921 -12.756 1.00 0.00 H new ATOM 0 HA LEU A 31 18.161 16.203 -13.502 1.00 0.00 H new ATOM 0 HB2 LEU A 31 18.769 16.798 -10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.913 17.040 -11.892 1.00 0.00 H new ATOM 0 HG LEU A 31 17.221 18.325 -12.133 1.00 0.00 H new ATOM 0 HD11 LEU A 31 17.989 20.269 -10.836 1.00 0.00 H new ATOM 0 HD12 LEU A 31 17.853 18.810 -9.825 1.00 0.00 H new ATOM 0 HD13 LEU A 31 19.453 19.372 -10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 31 18.557 20.081 -13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 31 20.043 19.175 -12.858 1.00 0.00 H new ATOM 0 HD23 LEU A 31 18.832 18.485 -13.965 1.00 0.00 H new ATOM 416 N LEU A 32 18.387 13.549 -12.895 1.00 0.00 N ATOM 417 CA LEU A 32 19.016 12.230 -12.949 1.00 0.00 C ATOM 418 C LEU A 32 19.135 11.598 -11.564 1.00 0.00 C ATOM 419 O LEU A 32 18.699 12.163 -10.559 1.00 0.00 O ATOM 420 CB LEU A 32 20.394 12.303 -13.619 1.00 0.00 C ATOM 421 CG LEU A 32 20.610 11.309 -14.762 1.00 0.00 C ATOM 422 CD1 LEU A 32 20.525 12.013 -16.106 1.00 0.00 C ATOM 423 CD2 LEU A 32 21.952 10.609 -14.608 1.00 0.00 C ATOM 0 H LEU A 32 17.465 13.580 -13.330 1.00 0.00 H new ATOM 0 HA LEU A 32 18.367 11.594 -13.551 1.00 0.00 H new ATOM 0 HB2 LEU A 32 20.542 13.313 -14.002 1.00 0.00 H new ATOM 0 HB3 LEU A 32 21.159 12.134 -12.861 1.00 0.00 H new ATOM 0 HG LEU A 32 19.822 10.558 -14.720 1.00 0.00 H new ATOM 0 HD11 LEU A 32 20.681 11.290 -16.906 1.00 0.00 H new ATOM 0 HD12 LEU A 32 19.541 12.469 -16.216 1.00 0.00 H new ATOM 0 HD13 LEU A 32 21.292 12.786 -16.161 1.00 0.00 H new ATOM 0 HD21 LEU A 32 22.091 9.905 -15.428 1.00 0.00 H new ATOM 0 HD22 LEU A 32 22.752 11.349 -14.625 1.00 0.00 H new ATOM 0 HD23 LEU A 32 21.975 10.071 -13.660 1.00 0.00 H new ATOM 435 N ASN A 33 19.717 10.410 -11.533 1.00 0.00 N ATOM 436 CA ASN A 33 19.926 9.670 -10.302 1.00 0.00 C ATOM 437 C ASN A 33 21.280 8.980 -10.365 1.00 0.00 C ATOM 438 O ASN A 33 22.057 9.232 -11.290 1.00 0.00 O ATOM 439 CB ASN A 33 18.810 8.636 -10.113 1.00 0.00 C ATOM 440 CG ASN A 33 18.433 8.437 -8.656 1.00 0.00 C ATOM 441 OD1 ASN A 33 19.248 7.996 -7.845 1.00 0.00 O ATOM 442 ND2 ASN A 33 17.194 8.750 -8.320 1.00 0.00 N ATOM 0 H ASN A 33 20.059 9.931 -12.366 1.00 0.00 H new ATOM 0 HA ASN A 33 19.906 10.354 -9.454 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.929 8.953 -10.671 1.00 0.00 H new ATOM 0 HB3 ASN A 33 19.129 7.683 -10.535 1.00 0.00 H new ATOM 0 HD21 ASN A 33 16.881 8.629 -7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.551 9.113 -9.024 1.00 0.00 H new ATOM 449 N LEU A 34 21.570 8.125 -9.396 1.00 0.00 N ATOM 450 CA LEU A 34 22.798 7.345 -9.423 1.00 0.00 C ATOM 451 C LEU A 34 22.594 6.087 -10.261 1.00 0.00 C ATOM 452 O LEU A 34 22.967 6.044 -11.431 1.00 0.00 O ATOM 453 CB LEU A 34 23.252 6.979 -8.003 1.00 0.00 C ATOM 454 CG LEU A 34 22.130 6.761 -6.985 1.00 0.00 C ATOM 455 CD1 LEU A 34 22.282 5.411 -6.303 1.00 0.00 C ATOM 456 CD2 LEU A 34 22.120 7.882 -5.958 1.00 0.00 C ATOM 0 H LEU A 34 20.975 7.954 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 34 23.582 7.951 -9.876 1.00 0.00 H new ATOM 0 HB2 LEU A 34 23.852 6.070 -8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 34 23.904 7.771 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 34 21.177 6.771 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.475 5.274 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 22.239 4.619 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 34 23.241 5.371 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 34 21.316 7.712 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 34 23.075 7.903 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 34 21.961 8.836 -6.462 1.00 0.00 H new ATOM 468 N ILE A 35 21.988 5.073 -9.665 1.00 0.00 N ATOM 469 CA ILE A 35 21.693 3.835 -10.370 1.00 0.00 C ATOM 470 C ILE A 35 20.229 3.466 -10.179 1.00 0.00 C ATOM 471 O ILE A 35 19.804 3.139 -9.067 1.00 0.00 O ATOM 472 CB ILE A 35 22.581 2.666 -9.887 1.00 0.00 C ATOM 473 CG1 ILE A 35 24.061 3.024 -10.027 1.00 0.00 C ATOM 474 CG2 ILE A 35 22.269 1.395 -10.671 1.00 0.00 C ATOM 475 CD1 ILE A 35 24.986 2.054 -9.323 1.00 0.00 C ATOM 0 H ILE A 35 21.689 5.083 -8.690 1.00 0.00 H new ATOM 0 HA ILE A 35 21.904 4.004 -11.426 1.00 0.00 H new ATOM 0 HB ILE A 35 22.364 2.485 -8.834 1.00 0.00 H new ATOM 0 HG12 ILE A 35 24.320 3.058 -11.085 1.00 0.00 H new ATOM 0 HG13 ILE A 35 24.224 4.025 -9.627 1.00 0.00 H new ATOM 0 HG21 ILE A 35 22.904 0.584 -10.316 1.00 0.00 H new ATOM 0 HG22 ILE A 35 21.223 1.126 -10.527 1.00 0.00 H new ATOM 0 HG23 ILE A 35 22.457 1.566 -11.731 1.00 0.00 H new ATOM 0 HD11 ILE A 35 26.020 2.369 -9.464 1.00 0.00 H new ATOM 0 HD12 ILE A 35 24.754 2.038 -8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 35 24.851 1.056 -9.739 1.00 0.00 H new ATOM 487 N PRO A 36 19.432 3.546 -11.254 1.00 0.00 N ATOM 488 CA PRO A 36 18.010 3.213 -11.209 1.00 0.00 C ATOM 489 C PRO A 36 17.781 1.724 -10.973 1.00 0.00 C ATOM 490 O PRO A 36 18.287 0.879 -11.713 1.00 0.00 O ATOM 491 CB PRO A 36 17.487 3.620 -12.597 1.00 0.00 C ATOM 492 CG PRO A 36 18.568 4.452 -13.203 1.00 0.00 C ATOM 493 CD PRO A 36 19.853 3.966 -12.598 1.00 0.00 C ATOM 0 HA PRO A 36 17.502 3.722 -10.390 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.277 2.743 -13.210 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.557 4.183 -12.516 1.00 0.00 H new ATOM 0 HG2 PRO A 36 18.582 4.344 -14.288 1.00 0.00 H new ATOM 0 HG3 PRO A 36 18.412 5.510 -12.990 1.00 0.00 H new ATOM 0 HD2 PRO A 36 20.282 3.140 -13.166 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.607 4.752 -12.560 1.00 0.00 H new ATOM 501 N VAL A 37 17.028 1.408 -9.932 1.00 0.00 N ATOM 502 CA VAL A 37 16.690 0.030 -9.627 1.00 0.00 C ATOM 503 C VAL A 37 15.258 -0.251 -10.053 1.00 0.00 C ATOM 504 O VAL A 37 14.317 0.312 -9.498 1.00 0.00 O ATOM 505 CB VAL A 37 16.850 -0.284 -8.123 1.00 0.00 C ATOM 506 CG1 VAL A 37 16.853 -1.786 -7.883 1.00 0.00 C ATOM 507 CG2 VAL A 37 18.122 0.344 -7.569 1.00 0.00 C ATOM 0 H VAL A 37 16.639 2.091 -9.282 1.00 0.00 H new ATOM 0 HA VAL A 37 17.380 -0.610 -10.178 1.00 0.00 H new ATOM 0 HB VAL A 37 15.998 0.148 -7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.967 -1.984 -6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.913 -2.212 -8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.682 -2.240 -8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.212 0.109 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 37 18.986 -0.052 -8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.080 1.425 -7.698 1.00 0.00 H new ATOM 517 N ASP A 38 15.098 -1.121 -11.037 1.00 0.00 N ATOM 518 CA ASP A 38 13.783 -1.404 -11.612 1.00 0.00 C ATOM 519 C ASP A 38 13.053 -2.475 -10.807 1.00 0.00 C ATOM 520 O ASP A 38 12.261 -3.246 -11.351 1.00 0.00 O ATOM 521 CB ASP A 38 13.943 -1.869 -13.059 1.00 0.00 C ATOM 522 CG ASP A 38 13.246 -0.969 -14.060 1.00 0.00 C ATOM 523 OD1 ASP A 38 12.345 -0.202 -13.666 1.00 0.00 O ATOM 524 OD2 ASP A 38 13.596 -1.033 -15.256 1.00 0.00 O ATOM 0 H ASP A 38 15.863 -1.648 -11.459 1.00 0.00 H new ATOM 0 HA ASP A 38 13.192 -0.489 -11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.004 -1.917 -13.302 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.548 -2.880 -13.154 1.00 0.00 H new ATOM 529 N LEU A 39 13.301 -2.496 -9.503 1.00 0.00 N ATOM 530 CA LEU A 39 12.765 -3.532 -8.630 1.00 0.00 C ATOM 531 C LEU A 39 11.308 -3.261 -8.263 1.00 0.00 C ATOM 532 O LEU A 39 10.652 -4.094 -7.639 1.00 0.00 O ATOM 533 CB LEU A 39 13.607 -3.636 -7.357 1.00 0.00 C ATOM 534 CG LEU A 39 13.959 -5.061 -6.934 1.00 0.00 C ATOM 535 CD1 LEU A 39 15.464 -5.225 -6.809 1.00 0.00 C ATOM 536 CD2 LEU A 39 13.271 -5.414 -5.625 1.00 0.00 C ATOM 0 H LEU A 39 13.874 -1.801 -9.024 1.00 0.00 H new ATOM 0 HA LEU A 39 12.806 -4.476 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.531 -3.077 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 39 13.068 -3.153 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 39 13.603 -5.746 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 39 15.695 -6.247 -6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.934 -5.016 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.845 -4.530 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.533 -6.433 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.595 -4.724 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.191 -5.339 -5.750 1.00 0.00 H new ATOM 548 N SER A 40 10.799 -2.105 -8.670 1.00 0.00 N ATOM 549 CA SER A 40 9.418 -1.737 -8.384 1.00 0.00 C ATOM 550 C SER A 40 8.456 -2.440 -9.340 1.00 0.00 C ATOM 551 O SER A 40 7.275 -2.104 -9.417 1.00 0.00 O ATOM 552 CB SER A 40 9.251 -0.218 -8.468 1.00 0.00 C ATOM 553 OG SER A 40 10.419 0.445 -8.002 1.00 0.00 O ATOM 0 H SER A 40 11.321 -1.406 -9.199 1.00 0.00 H new ATOM 0 HA SER A 40 9.177 -2.060 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.049 0.074 -9.499 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.391 0.091 -7.874 1.00 0.00 H new ATOM 0 HG SER A 40 10.292 1.415 -8.066 1.00 0.00 H new ATOM 559 N ALA A 41 8.976 -3.419 -10.073 1.00 0.00 N ATOM 560 CA ALA A 41 8.157 -4.235 -10.955 1.00 0.00 C ATOM 561 C ALA A 41 7.411 -5.296 -10.155 1.00 0.00 C ATOM 562 O ALA A 41 6.388 -5.818 -10.595 1.00 0.00 O ATOM 563 CB ALA A 41 9.018 -4.886 -12.028 1.00 0.00 C ATOM 0 H ALA A 41 9.966 -3.665 -10.072 1.00 0.00 H new ATOM 0 HA ALA A 41 7.425 -3.591 -11.443 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.390 -5.493 -12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.512 -4.113 -12.617 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.770 -5.519 -11.557 1.00 0.00 H new ATOM 569 N SER A 42 7.934 -5.611 -8.976 1.00 0.00 N ATOM 570 CA SER A 42 7.301 -6.572 -8.091 1.00 0.00 C ATOM 571 C SER A 42 6.689 -5.863 -6.886 1.00 0.00 C ATOM 572 O SER A 42 6.558 -4.637 -6.878 1.00 0.00 O ATOM 573 CB SER A 42 8.315 -7.625 -7.642 1.00 0.00 C ATOM 574 OG SER A 42 9.131 -8.033 -8.726 1.00 0.00 O ATOM 0 H SER A 42 8.799 -5.211 -8.613 1.00 0.00 H new ATOM 0 HA SER A 42 6.500 -7.074 -8.634 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.938 -7.220 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.792 -8.488 -7.230 1.00 0.00 H new ATOM 0 HG SER A 42 9.774 -8.705 -8.417 1.00 0.00 H new ATOM 580 N LEU A 43 6.319 -6.626 -5.866 1.00 0.00 N ATOM 581 CA LEU A 43 5.646 -6.064 -4.705 1.00 0.00 C ATOM 582 C LEU A 43 6.559 -6.084 -3.483 1.00 0.00 C ATOM 583 O LEU A 43 7.094 -7.129 -3.110 1.00 0.00 O ATOM 584 CB LEU A 43 4.360 -6.847 -4.421 1.00 0.00 C ATOM 585 CG LEU A 43 3.064 -6.195 -4.914 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.820 -4.875 -4.200 1.00 0.00 C ATOM 587 CD2 LEU A 43 3.102 -5.992 -6.422 1.00 0.00 C ATOM 0 H LEU A 43 6.474 -7.633 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 43 5.393 -5.026 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.447 -7.832 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.281 -7.002 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 43 2.237 -6.866 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.895 -4.429 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.739 -5.051 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.651 -4.197 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.172 -5.528 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.941 -5.346 -6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.220 -6.956 -6.916 1.00 0.00 H new ATOM 599 N GLY A 44 6.739 -4.928 -2.862 1.00 0.00 N ATOM 600 CA GLY A 44 7.581 -4.843 -1.688 1.00 0.00 C ATOM 601 C GLY A 44 6.870 -4.185 -0.528 1.00 0.00 C ATOM 602 O GLY A 44 7.246 -3.091 -0.102 1.00 0.00 O ATOM 0 H GLY A 44 6.316 -4.046 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.900 -5.844 -1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.482 -4.279 -1.928 1.00 0.00 H new ATOM 606 N CYS A 45 5.852 -4.851 -0.008 1.00 0.00 N ATOM 607 CA CYS A 45 5.058 -4.296 1.072 1.00 0.00 C ATOM 608 C CYS A 45 4.822 -5.331 2.166 1.00 0.00 C ATOM 609 O CYS A 45 5.131 -6.508 1.988 1.00 0.00 O ATOM 610 CB CYS A 45 3.737 -3.760 0.526 1.00 0.00 C ATOM 611 SG CYS A 45 3.920 -2.239 -0.471 1.00 0.00 S ATOM 0 H CYS A 45 5.557 -5.777 -0.318 1.00 0.00 H new ATOM 0 HA CYS A 45 5.609 -3.469 1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.267 -4.530 -0.085 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.064 -3.559 1.359 1.00 0.00 H new ATOM 616 N VAL A 46 4.253 -4.894 3.284 1.00 0.00 N ATOM 617 CA VAL A 46 4.149 -5.736 4.467 1.00 0.00 C ATOM 618 C VAL A 46 2.685 -5.977 4.862 1.00 0.00 C ATOM 619 O VAL A 46 1.777 -5.301 4.370 1.00 0.00 O ATOM 620 CB VAL A 46 4.927 -5.098 5.647 1.00 0.00 C ATOM 621 CG1 VAL A 46 4.085 -4.057 6.376 1.00 0.00 C ATOM 622 CG2 VAL A 46 5.419 -6.162 6.615 1.00 0.00 C ATOM 0 H VAL A 46 3.857 -3.961 3.395 1.00 0.00 H new ATOM 0 HA VAL A 46 4.591 -6.703 4.228 1.00 0.00 H new ATOM 0 HB VAL A 46 5.794 -4.589 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.663 -3.631 7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.804 -3.265 5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.186 -4.529 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.961 -5.687 7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.567 -6.712 7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.082 -6.851 6.092 1.00 0.00 H new ATOM 632 N VAL A 47 2.472 -6.958 5.737 1.00 0.00 N ATOM 633 CA VAL A 47 1.136 -7.315 6.200 1.00 0.00 C ATOM 634 C VAL A 47 0.558 -6.213 7.082 1.00 0.00 C ATOM 635 O VAL A 47 1.249 -5.666 7.941 1.00 0.00 O ATOM 636 CB VAL A 47 1.155 -8.641 7.000 1.00 0.00 C ATOM 637 CG1 VAL A 47 -0.257 -9.088 7.355 1.00 0.00 C ATOM 638 CG2 VAL A 47 1.876 -9.733 6.224 1.00 0.00 C ATOM 0 H VAL A 47 3.218 -7.524 6.142 1.00 0.00 H new ATOM 0 HA VAL A 47 0.511 -7.441 5.316 1.00 0.00 H new ATOM 0 HB VAL A 47 1.699 -8.460 7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.213 -10.021 7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.739 -8.322 7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.831 -9.241 6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.876 -10.654 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.366 -9.903 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.904 -9.425 6.032 1.00 0.00 H new ATOM 648 N GLY A 48 -0.706 -5.895 6.858 1.00 0.00 N ATOM 649 CA GLY A 48 -1.381 -4.901 7.659 1.00 0.00 C ATOM 650 C GLY A 48 -2.160 -5.542 8.787 1.00 0.00 C ATOM 651 O GLY A 48 -2.880 -6.519 8.571 1.00 0.00 O ATOM 0 H GLY A 48 -1.281 -6.314 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.651 -4.203 8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.057 -4.322 7.030 1.00 0.00 H new ATOM 655 N VAL A 49 -2.010 -5.007 9.986 1.00 0.00 N ATOM 656 CA VAL A 49 -2.665 -5.565 11.161 1.00 0.00 C ATOM 657 C VAL A 49 -4.162 -5.265 11.150 1.00 0.00 C ATOM 658 O VAL A 49 -4.586 -4.153 10.829 1.00 0.00 O ATOM 659 CB VAL A 49 -2.047 -5.031 12.473 1.00 0.00 C ATOM 660 CG1 VAL A 49 -1.186 -6.100 13.128 1.00 0.00 C ATOM 661 CG2 VAL A 49 -1.237 -3.762 12.231 1.00 0.00 C ATOM 0 H VAL A 49 -1.438 -4.183 10.174 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.512 -6.644 11.120 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.864 -4.778 13.149 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.758 -5.708 14.051 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.799 -6.973 13.354 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.383 -6.387 12.449 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.817 -3.413 13.174 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.430 -3.974 11.530 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.885 -2.990 11.815 1.00 0.00 H new ATOM 671 N ILE A 50 -4.957 -6.270 11.494 1.00 0.00 N ATOM 672 CA ILE A 50 -6.405 -6.119 11.523 1.00 0.00 C ATOM 673 C ILE A 50 -6.830 -5.289 12.727 1.00 0.00 C ATOM 674 O ILE A 50 -6.184 -5.317 13.777 1.00 0.00 O ATOM 675 CB ILE A 50 -7.129 -7.484 11.555 1.00 0.00 C ATOM 676 CG1 ILE A 50 -6.671 -8.317 12.754 1.00 0.00 C ATOM 677 CG2 ILE A 50 -6.887 -8.241 10.258 1.00 0.00 C ATOM 678 CD1 ILE A 50 -7.801 -8.745 13.662 1.00 0.00 C ATOM 0 H ILE A 50 -4.623 -7.197 11.757 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.691 -5.606 10.605 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.198 -7.301 11.659 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.151 -9.204 12.392 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.950 -7.739 13.333 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.403 -9.200 10.295 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.267 -7.657 9.420 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.818 -8.409 10.129 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.401 -9.331 14.489 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.307 -7.863 14.054 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.511 -9.350 13.099 1.00 0.00 H new ATOM 690 N GLY A 51 -7.905 -4.534 12.565 1.00 0.00 N ATOM 691 CA GLY A 51 -8.364 -3.655 13.619 1.00 0.00 C ATOM 692 C GLY A 51 -7.465 -2.446 13.767 1.00 0.00 C ATOM 693 O GLY A 51 -7.550 -1.711 14.749 1.00 0.00 O ATOM 0 H GLY A 51 -8.471 -4.515 11.717 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.381 -3.328 13.404 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.397 -4.202 14.561 1.00 0.00 H new ATOM 697 N SER A 52 -6.597 -2.247 12.787 1.00 0.00 N ATOM 698 CA SER A 52 -5.652 -1.147 12.814 1.00 0.00 C ATOM 699 C SER A 52 -5.749 -0.334 11.527 1.00 0.00 C ATOM 700 O SER A 52 -6.138 -0.857 10.479 1.00 0.00 O ATOM 701 CB SER A 52 -4.233 -1.685 13.012 1.00 0.00 C ATOM 702 OG SER A 52 -4.254 -2.917 13.719 1.00 0.00 O ATOM 0 H SER A 52 -6.529 -2.839 11.959 1.00 0.00 H new ATOM 0 HA SER A 52 -5.894 -0.490 13.649 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.754 -1.825 12.043 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.636 -0.956 13.560 1.00 0.00 H new ATOM 0 HG SER A 52 -3.512 -2.940 14.359 1.00 0.00 H new ATOM 708 N GLN A 53 -5.411 0.944 11.616 1.00 0.00 N ATOM 709 CA GLN A 53 -5.510 1.841 10.473 1.00 0.00 C ATOM 710 C GLN A 53 -4.232 1.829 9.651 1.00 0.00 C ATOM 711 O GLN A 53 -3.134 1.686 10.190 1.00 0.00 O ATOM 712 CB GLN A 53 -5.801 3.271 10.933 1.00 0.00 C ATOM 713 CG GLN A 53 -6.819 3.362 12.056 1.00 0.00 C ATOM 714 CD GLN A 53 -6.787 4.699 12.768 1.00 0.00 C ATOM 715 OE1 GLN A 53 -7.764 5.447 12.758 1.00 0.00 O ATOM 716 NE2 GLN A 53 -5.664 5.012 13.391 1.00 0.00 N ATOM 0 H GLN A 53 -5.065 1.384 12.469 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.331 1.486 9.851 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.870 3.733 11.262 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.161 3.850 10.082 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.817 3.195 11.651 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.630 2.567 12.777 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.875 4.365 13.377 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.586 5.900 13.886 1.00 0.00 H new ATOM 725 N CYS A 54 -4.384 1.979 8.347 1.00 0.00 N ATOM 726 CA CYS A 54 -3.250 2.055 7.445 1.00 0.00 C ATOM 727 C CYS A 54 -3.490 3.138 6.400 1.00 0.00 C ATOM 728 O CYS A 54 -4.506 3.119 5.706 1.00 0.00 O ATOM 729 CB CYS A 54 -3.020 0.707 6.763 1.00 0.00 C ATOM 730 SG CYS A 54 -1.299 0.111 6.855 1.00 0.00 S ATOM 0 H CYS A 54 -5.291 2.051 7.886 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.360 2.308 8.021 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.675 -0.035 7.219 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.310 0.788 5.715 1.00 0.00 H new ATOM 735 N GLY A 55 -2.563 4.084 6.300 1.00 0.00 N ATOM 736 CA GLY A 55 -2.715 5.180 5.360 1.00 0.00 C ATOM 737 C GLY A 55 -2.252 4.821 3.962 1.00 0.00 C ATOM 738 O GLY A 55 -1.420 5.514 3.374 1.00 0.00 O ATOM 0 H GLY A 55 -1.707 4.112 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.762 5.481 5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.148 6.040 5.716 1.00 0.00 H new ATOM 742 N ALA A 56 -2.792 3.736 3.434 1.00 0.00 N ATOM 743 CA ALA A 56 -2.449 3.271 2.103 1.00 0.00 C ATOM 744 C ALA A 56 -3.547 2.357 1.583 1.00 0.00 C ATOM 745 O ALA A 56 -4.656 2.349 2.124 1.00 0.00 O ATOM 746 CB ALA A 56 -1.107 2.549 2.118 1.00 0.00 C ATOM 0 H ALA A 56 -3.478 3.155 3.915 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.360 4.129 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.866 2.207 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.331 3.231 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.163 1.691 2.788 1.00 0.00 H new ATOM 752 N SER A 57 -3.247 1.594 0.544 1.00 0.00 N ATOM 753 CA SER A 57 -4.198 0.643 -0.005 1.00 0.00 C ATOM 754 C SER A 57 -4.009 -0.720 0.655 1.00 0.00 C ATOM 755 O SER A 57 -2.890 -1.087 1.031 1.00 0.00 O ATOM 756 CB SER A 57 -4.012 0.535 -1.521 1.00 0.00 C ATOM 757 OG SER A 57 -3.271 1.638 -2.024 1.00 0.00 O ATOM 0 H SER A 57 -2.348 1.616 0.063 1.00 0.00 H new ATOM 0 HA SER A 57 -5.211 0.991 0.197 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.496 -0.394 -1.762 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.986 0.494 -2.008 1.00 0.00 H new ATOM 0 HG SER A 57 -3.164 1.545 -2.994 1.00 0.00 H new ATOM 763 N VAL A 58 -5.096 -1.467 0.801 1.00 0.00 N ATOM 764 CA VAL A 58 -5.039 -2.773 1.437 1.00 0.00 C ATOM 765 C VAL A 58 -5.299 -3.878 0.424 1.00 0.00 C ATOM 766 O VAL A 58 -6.346 -3.911 -0.223 1.00 0.00 O ATOM 767 CB VAL A 58 -6.053 -2.899 2.592 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.748 -4.130 3.432 1.00 0.00 C ATOM 769 CG2 VAL A 58 -6.050 -1.648 3.457 1.00 0.00 C ATOM 0 H VAL A 58 -6.026 -1.189 0.487 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.035 -2.878 1.847 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.048 -3.009 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.472 -4.205 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.809 -5.021 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.744 -4.047 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.773 -1.762 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.056 -1.500 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.318 -0.784 2.849 1.00 0.00 H new ATOM 779 N LYS A 59 -4.333 -4.764 0.278 1.00 0.00 N ATOM 780 CA LYS A 59 -4.458 -5.891 -0.634 1.00 0.00 C ATOM 781 C LYS A 59 -4.618 -7.179 0.157 1.00 0.00 C ATOM 782 O LYS A 59 -4.435 -7.194 1.370 1.00 0.00 O ATOM 783 CB LYS A 59 -3.226 -5.992 -1.540 1.00 0.00 C ATOM 784 CG LYS A 59 -2.594 -4.651 -1.880 1.00 0.00 C ATOM 785 CD LYS A 59 -2.299 -4.541 -3.366 1.00 0.00 C ATOM 786 CE LYS A 59 -3.545 -4.164 -4.152 1.00 0.00 C ATOM 787 NZ LYS A 59 -3.633 -4.900 -5.439 1.00 0.00 N ATOM 0 H LYS A 59 -3.447 -4.727 0.781 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.338 -5.735 -1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.480 -6.620 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.509 -6.493 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.263 -3.845 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.671 -4.528 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.523 -3.793 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.909 -5.491 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.430 -4.375 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.540 -3.092 -4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.930 -4.248 -6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.702 -5.300 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.328 -5.669 -5.353 1.00 0.00 H new ATOM 801 N CYS A 60 -4.961 -8.253 -0.528 1.00 0.00 N ATOM 802 CA CYS A 60 -5.041 -9.562 0.101 1.00 0.00 C ATOM 803 C CYS A 60 -4.058 -10.497 -0.581 1.00 0.00 C ATOM 804 O CYS A 60 -4.280 -10.931 -1.711 1.00 0.00 O ATOM 805 CB CYS A 60 -6.462 -10.123 0.009 1.00 0.00 C ATOM 806 SG CYS A 60 -7.546 -9.627 1.391 1.00 0.00 S ATOM 0 H CYS A 60 -5.190 -8.247 -1.522 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.787 -9.470 1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.912 -9.794 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.411 -11.211 -0.027 1.00 0.00 H new ATOM 811 N CYS A 61 -2.963 -10.793 0.089 1.00 0.00 N ATOM 812 CA CYS A 61 -1.897 -11.548 -0.537 1.00 0.00 C ATOM 813 C CYS A 61 -1.467 -12.735 0.309 1.00 0.00 C ATOM 814 O CYS A 61 -1.399 -12.659 1.538 1.00 0.00 O ATOM 815 CB CYS A 61 -0.695 -10.643 -0.810 1.00 0.00 C ATOM 816 SG CYS A 61 -0.941 -9.454 -2.171 1.00 0.00 S ATOM 0 H CYS A 61 -2.788 -10.525 1.058 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.285 -11.934 -1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.457 -10.091 0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.169 -11.266 -1.040 1.00 0.00 H new ATOM 821 N LYS A 62 -1.223 -13.838 -0.370 1.00 0.00 N ATOM 822 CA LYS A 62 -0.592 -14.998 0.218 1.00 0.00 C ATOM 823 C LYS A 62 0.678 -15.294 -0.564 1.00 0.00 C ATOM 824 O LYS A 62 0.639 -15.489 -1.782 1.00 0.00 O ATOM 825 CB LYS A 62 -1.534 -16.207 0.188 1.00 0.00 C ATOM 826 CG LYS A 62 -0.899 -17.493 0.691 1.00 0.00 C ATOM 827 CD LYS A 62 -1.398 -17.856 2.076 1.00 0.00 C ATOM 828 CE LYS A 62 -1.173 -19.323 2.374 1.00 0.00 C ATOM 829 NZ LYS A 62 -2.268 -19.896 3.200 1.00 0.00 N ATOM 0 H LYS A 62 -1.460 -13.953 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.352 -14.797 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.413 -15.986 0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.881 -16.360 -0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.122 -18.305 -0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.185 -17.381 0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.884 -17.248 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.460 -17.625 2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.097 -19.876 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.223 -19.446 2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.930 -20.758 3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.564 -19.201 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.077 -20.131 2.590 1.00 0.00 H new ATOM 843 N ASP A 63 1.802 -15.286 0.114 1.00 0.00 N ATOM 844 CA ASP A 63 3.073 -15.504 -0.551 1.00 0.00 C ATOM 845 C ASP A 63 3.965 -16.424 0.258 1.00 0.00 C ATOM 846 O ASP A 63 3.662 -16.747 1.410 1.00 0.00 O ATOM 847 CB ASP A 63 3.775 -14.174 -0.808 1.00 0.00 C ATOM 848 CG ASP A 63 4.530 -14.185 -2.119 1.00 0.00 C ATOM 849 OD1 ASP A 63 5.649 -14.739 -2.155 1.00 0.00 O ATOM 850 OD2 ASP A 63 4.008 -13.645 -3.117 1.00 0.00 O ATOM 0 H ASP A 63 1.866 -15.132 1.120 1.00 0.00 H new ATOM 0 HA ASP A 63 2.872 -15.986 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.039 -13.370 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.466 -13.963 0.008 1.00 0.00 H new ATOM 855 N ASP A 64 5.072 -16.824 -0.346 1.00 0.00 N ATOM 856 CA ASP A 64 5.976 -17.785 0.256 1.00 0.00 C ATOM 857 C ASP A 64 7.187 -17.082 0.848 1.00 0.00 C ATOM 858 O ASP A 64 8.316 -17.261 0.391 1.00 0.00 O ATOM 859 CB ASP A 64 6.423 -18.809 -0.789 1.00 0.00 C ATOM 860 CG ASP A 64 6.540 -20.204 -0.216 1.00 0.00 C ATOM 861 OD1 ASP A 64 5.503 -20.783 0.168 1.00 0.00 O ATOM 862 OD2 ASP A 64 7.668 -20.739 -0.168 1.00 0.00 O ATOM 0 H ASP A 64 5.367 -16.492 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 64 5.449 -18.301 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.711 -18.817 -1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.386 -18.507 -1.202 1.00 0.00 H new ATOM 867 N VAL A 65 6.943 -16.253 1.848 1.00 0.00 N ATOM 868 CA VAL A 65 8.021 -15.556 2.526 1.00 0.00 C ATOM 869 C VAL A 65 8.510 -16.372 3.713 1.00 0.00 C ATOM 870 O VAL A 65 7.817 -16.497 4.724 1.00 0.00 O ATOM 871 CB VAL A 65 7.603 -14.155 3.017 1.00 0.00 C ATOM 872 CG1 VAL A 65 8.780 -13.193 2.926 1.00 0.00 C ATOM 873 CG2 VAL A 65 6.412 -13.627 2.225 1.00 0.00 C ATOM 0 H VAL A 65 6.011 -16.047 2.207 1.00 0.00 H new ATOM 0 HA VAL A 65 8.821 -15.431 1.796 1.00 0.00 H new ATOM 0 HB VAL A 65 7.298 -14.236 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.472 -12.207 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.598 -13.559 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.114 -13.123 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.140 -12.638 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.677 -13.561 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.566 -14.304 2.345 1.00 0.00 H new ATOM 883 N THR A 66 9.688 -16.947 3.570 1.00 0.00 N ATOM 884 CA THR A 66 10.277 -17.751 4.620 1.00 0.00 C ATOM 885 C THR A 66 11.240 -16.927 5.464 1.00 0.00 C ATOM 886 O THR A 66 11.561 -15.784 5.127 1.00 0.00 O ATOM 887 CB THR A 66 11.017 -18.947 4.014 1.00 0.00 C ATOM 888 OG1 THR A 66 11.193 -18.736 2.604 1.00 0.00 O ATOM 889 CG2 THR A 66 10.236 -20.228 4.249 1.00 0.00 C ATOM 0 H THR A 66 10.259 -16.870 2.729 1.00 0.00 H new ATOM 0 HA THR A 66 9.473 -18.109 5.263 1.00 0.00 H new ATOM 0 HB THR A 66 11.991 -19.041 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.668 -19.500 2.216 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.775 -21.068 3.812 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.117 -20.390 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.254 -20.146 3.783 1.00 0.00 H new ATOM 897 N ASN A 67 11.698 -17.507 6.560 1.00 0.00 N ATOM 898 CA ASN A 67 12.632 -16.834 7.452 1.00 0.00 C ATOM 899 C ASN A 67 14.070 -17.081 7.007 1.00 0.00 C ATOM 900 O ASN A 67 14.934 -17.434 7.811 1.00 0.00 O ATOM 901 CB ASN A 67 12.434 -17.320 8.887 1.00 0.00 C ATOM 902 CG ASN A 67 12.184 -16.180 9.856 1.00 0.00 C ATOM 903 OD1 ASN A 67 12.345 -15.008 9.515 1.00 0.00 O ATOM 904 ND2 ASN A 67 11.782 -16.514 11.071 1.00 0.00 N ATOM 0 H ASN A 67 11.438 -18.448 6.856 1.00 0.00 H new ATOM 0 HA ASN A 67 12.437 -15.762 7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.593 -18.012 8.920 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.316 -17.876 9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.594 -15.789 11.763 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.660 -17.497 11.316 1.00 0.00 H new ATOM 911 N THR A 68 14.318 -16.864 5.721 1.00 0.00 N ATOM 912 CA THR A 68 15.621 -17.114 5.127 1.00 0.00 C ATOM 913 C THR A 68 16.599 -15.985 5.440 1.00 0.00 C ATOM 914 O THR A 68 17.806 -16.112 5.237 1.00 0.00 O ATOM 915 CB THR A 68 15.489 -17.259 3.600 1.00 0.00 C ATOM 916 OG1 THR A 68 14.119 -17.060 3.209 1.00 0.00 O ATOM 917 CG2 THR A 68 15.960 -18.633 3.149 1.00 0.00 C ATOM 0 H THR A 68 13.622 -16.511 5.064 1.00 0.00 H new ATOM 0 HA THR A 68 16.007 -18.039 5.555 1.00 0.00 H new ATOM 0 HB THR A 68 16.115 -16.505 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.040 -17.151 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.859 -18.715 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 68 17.005 -18.769 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.354 -19.401 3.630 1.00 0.00 H new ATOM 925 N GLY A 69 16.064 -14.890 5.944 1.00 0.00 N ATOM 926 CA GLY A 69 16.882 -13.739 6.273 1.00 0.00 C ATOM 927 C GLY A 69 16.420 -12.495 5.551 1.00 0.00 C ATOM 928 O GLY A 69 16.811 -12.250 4.412 1.00 0.00 O ATOM 0 H GLY A 69 15.069 -14.773 6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.851 -13.567 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.920 -13.945 6.013 1.00 0.00 H new ATOM 932 N ASN A 70 15.576 -11.717 6.209 1.00 0.00 N ATOM 933 CA ASN A 70 15.022 -10.516 5.601 1.00 0.00 C ATOM 934 C ASN A 70 14.664 -9.489 6.666 1.00 0.00 C ATOM 935 O ASN A 70 14.395 -9.842 7.816 1.00 0.00 O ATOM 936 CB ASN A 70 13.779 -10.851 4.763 1.00 0.00 C ATOM 937 CG ASN A 70 12.774 -11.719 5.504 1.00 0.00 C ATOM 938 OD1 ASN A 70 12.180 -11.300 6.500 1.00 0.00 O ATOM 939 ND2 ASN A 70 12.574 -12.937 5.019 1.00 0.00 N ATOM 0 H ASN A 70 15.259 -11.894 7.162 1.00 0.00 H new ATOM 0 HA ASN A 70 15.783 -10.093 4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.294 -9.924 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.090 -11.363 3.852 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.909 -13.564 5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.085 -13.247 4.193 1.00 0.00 H new ATOM 946 N SER A 71 14.685 -8.223 6.279 1.00 0.00 N ATOM 947 CA SER A 71 14.264 -7.141 7.155 1.00 0.00 C ATOM 948 C SER A 71 12.740 -7.089 7.203 1.00 0.00 C ATOM 949 O SER A 71 12.135 -7.004 8.276 1.00 0.00 O ATOM 950 CB SER A 71 14.834 -5.819 6.638 1.00 0.00 C ATOM 951 OG SER A 71 15.635 -6.047 5.487 1.00 0.00 O ATOM 0 H SER A 71 14.992 -7.918 5.355 1.00 0.00 H new ATOM 0 HA SER A 71 14.638 -7.312 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.021 -5.135 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.430 -5.342 7.416 1.00 0.00 H new ATOM 0 HG SER A 71 15.993 -5.194 5.164 1.00 0.00 H new ATOM 957 N PHE A 72 12.131 -7.165 6.031 1.00 0.00 N ATOM 958 CA PHE A 72 10.683 -7.208 5.914 1.00 0.00 C ATOM 959 C PHE A 72 10.294 -8.273 4.895 1.00 0.00 C ATOM 960 O PHE A 72 11.137 -8.734 4.124 1.00 0.00 O ATOM 961 CB PHE A 72 10.131 -5.827 5.519 1.00 0.00 C ATOM 962 CG PHE A 72 10.058 -5.583 4.036 1.00 0.00 C ATOM 963 CD1 PHE A 72 11.211 -5.493 3.269 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.832 -5.441 3.411 1.00 0.00 C ATOM 965 CE1 PHE A 72 11.138 -5.268 1.908 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.752 -5.215 2.053 1.00 0.00 C ATOM 967 CZ PHE A 72 9.907 -5.129 1.299 1.00 0.00 C ATOM 0 H PHE A 72 12.623 -7.198 5.138 1.00 0.00 H new ATOM 0 HA PHE A 72 10.246 -7.469 6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.133 -5.715 5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.757 -5.057 5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.176 -5.600 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.926 -5.508 3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.042 -5.201 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.788 -5.105 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.847 -4.953 0.235 1.00 0.00 H new ATOM 977 N LEU A 73 9.033 -8.670 4.898 1.00 0.00 N ATOM 978 CA LEU A 73 8.570 -9.714 3.999 1.00 0.00 C ATOM 979 C LEU A 73 8.295 -9.154 2.609 1.00 0.00 C ATOM 980 O LEU A 73 7.499 -8.234 2.446 1.00 0.00 O ATOM 981 CB LEU A 73 7.315 -10.388 4.556 1.00 0.00 C ATOM 982 CG LEU A 73 6.328 -9.459 5.268 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.041 -9.345 4.468 1.00 0.00 C ATOM 984 CD2 LEU A 73 6.042 -9.964 6.675 1.00 0.00 C ATOM 0 H LEU A 73 8.313 -8.287 5.511 1.00 0.00 H new ATOM 0 HA LEU A 73 9.360 -10.461 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.795 -10.882 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.622 -11.167 5.254 1.00 0.00 H new ATOM 0 HG LEU A 73 6.776 -8.468 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.348 -8.682 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.261 -8.940 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.589 -10.331 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.339 -9.292 7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.612 -10.964 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.970 -9.998 7.245 1.00 0.00 H new ATOM 996 N ILE A 74 8.969 -9.709 1.616 1.00 0.00 N ATOM 997 CA ILE A 74 8.762 -9.302 0.238 1.00 0.00 C ATOM 998 C ILE A 74 7.670 -10.158 -0.403 1.00 0.00 C ATOM 999 O ILE A 74 7.524 -11.338 -0.078 1.00 0.00 O ATOM 1000 CB ILE A 74 10.073 -9.388 -0.584 1.00 0.00 C ATOM 1001 CG1 ILE A 74 9.944 -8.578 -1.876 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.444 -10.838 -0.891 1.00 0.00 C ATOM 1003 CD1 ILE A 74 10.938 -7.441 -1.976 1.00 0.00 C ATOM 0 H ILE A 74 9.665 -10.444 1.740 1.00 0.00 H new ATOM 0 HA ILE A 74 8.443 -8.260 0.239 1.00 0.00 H new ATOM 0 HB ILE A 74 10.876 -8.962 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.079 -9.244 -2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.934 -8.174 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.368 -10.863 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.585 -11.383 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.644 -11.304 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.790 -6.910 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 74 10.789 -6.753 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 74 11.952 -7.840 -1.941 1.00 0.00 H new ATOM 1015 N ILE A 75 6.893 -9.557 -1.293 1.00 0.00 N ATOM 1016 CA ILE A 75 5.782 -10.253 -1.924 1.00 0.00 C ATOM 1017 C ILE A 75 6.079 -10.527 -3.392 1.00 0.00 C ATOM 1018 O ILE A 75 6.366 -9.615 -4.167 1.00 0.00 O ATOM 1019 CB ILE A 75 4.458 -9.461 -1.808 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.670 -8.143 -1.055 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.401 -10.304 -1.109 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.459 -7.236 -1.068 1.00 0.00 C ATOM 0 H ILE A 75 7.012 -8.590 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 75 5.662 -11.197 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 75 4.114 -9.224 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.937 -8.364 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.515 -7.614 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.474 -9.736 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.223 -11.214 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.748 -10.567 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.682 -6.323 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.204 -6.985 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.617 -7.746 -0.600 1.00 0.00 H new ATOM 1034 N ASN A 76 6.002 -11.790 -3.767 1.00 0.00 N ATOM 1035 CA ASN A 76 6.278 -12.204 -5.135 1.00 0.00 C ATOM 1036 C ASN A 76 5.036 -12.038 -5.991 1.00 0.00 C ATOM 1037 O ASN A 76 5.068 -12.279 -7.199 1.00 0.00 O ATOM 1038 CB ASN A 76 6.722 -13.667 -5.173 1.00 0.00 C ATOM 1039 CG ASN A 76 8.061 -13.890 -4.499 1.00 0.00 C ATOM 1040 OD1 ASN A 76 9.114 -13.590 -5.065 1.00 0.00 O ATOM 1041 ND2 ASN A 76 8.028 -14.420 -3.290 1.00 0.00 N ATOM 0 H ASN A 76 5.749 -12.554 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 76 7.079 -11.576 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.967 -14.284 -4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.782 -13.997 -6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.897 -14.596 -2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.133 -14.653 -2.859 1.00 0.00 H new ATOM 1048 N ALA A 77 3.943 -11.636 -5.340 1.00 0.00 N ATOM 1049 CA ALA A 77 2.640 -11.521 -5.982 1.00 0.00 C ATOM 1050 C ALA A 77 2.183 -12.889 -6.460 1.00 0.00 C ATOM 1051 O ALA A 77 1.518 -13.025 -7.490 1.00 0.00 O ATOM 1052 CB ALA A 77 2.673 -10.515 -7.130 1.00 0.00 C ATOM 0 H ALA A 77 3.940 -11.382 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 77 1.922 -11.147 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.686 -10.453 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.958 -9.535 -6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.399 -10.838 -7.876 1.00 0.00 H new ATOM 1058 N ALA A 78 2.572 -13.907 -5.703 1.00 0.00 N ATOM 1059 CA ALA A 78 2.218 -15.278 -6.022 1.00 0.00 C ATOM 1060 C ALA A 78 0.712 -15.465 -5.938 1.00 0.00 C ATOM 1061 O ALA A 78 0.078 -15.908 -6.894 1.00 0.00 O ATOM 1062 CB ALA A 78 2.934 -16.237 -5.087 1.00 0.00 C ATOM 0 H ALA A 78 3.136 -13.804 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 78 2.534 -15.496 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.660 -17.262 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.012 -16.113 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.645 -16.025 -4.058 1.00 0.00 H new ATOM 1068 N ASN A 79 0.147 -15.115 -4.793 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.292 -15.182 -4.597 1.00 0.00 C ATOM 1070 C ASN A 79 -1.796 -13.836 -4.096 1.00 0.00 C ATOM 1071 O ASN A 79 -2.034 -13.658 -2.906 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.657 -16.278 -3.583 1.00 0.00 C ATOM 1073 CG ASN A 79 -0.982 -17.610 -3.859 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.599 -18.532 -4.387 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.290 -17.728 -3.488 1.00 0.00 N ATOM 0 H ASN A 79 0.667 -14.780 -3.982 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.762 -15.425 -5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.383 -15.942 -2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.738 -16.420 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.786 -18.606 -3.639 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.769 -16.940 -3.052 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.931 -12.876 -4.996 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.360 -11.538 -4.613 1.00 0.00 C ATOM 1084 C CYS A 80 -3.689 -11.181 -5.262 1.00 0.00 C ATOM 1085 O CYS A 80 -3.871 -11.351 -6.470 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.292 -10.511 -4.994 1.00 0.00 C ATOM 1087 SG CYS A 80 0.020 -10.309 -3.743 1.00 0.00 S ATOM 0 H CYS A 80 -1.751 -12.996 -5.993 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.497 -11.523 -3.532 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.837 -10.808 -5.939 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.772 -9.547 -5.161 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.617 -10.702 -4.448 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.932 -10.292 -4.915 1.00 0.00 C ATOM 1094 C VAL A 81 -6.311 -8.942 -4.313 1.00 0.00 C ATOM 1095 O VAL A 81 -5.706 -8.512 -3.323 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.031 -11.331 -4.576 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.367 -12.173 -5.798 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.613 -12.220 -3.413 1.00 0.00 C ATOM 0 H VAL A 81 -4.479 -10.587 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.870 -10.214 -6.000 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.924 -10.784 -4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.140 -12.896 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.728 -11.526 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.474 -12.701 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.405 -12.938 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.700 -12.755 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.434 -11.605 -2.531 1.00 0.00 H new ATOM 1108 N ALA A 82 -7.278 -8.280 -4.947 1.00 0.00 N ATOM 1109 CA ALA A 82 -7.794 -6.983 -4.505 1.00 0.00 C ATOM 1110 C ALA A 82 -6.844 -5.858 -4.887 1.00 0.00 C ATOM 1111 O ALA A 82 -6.975 -4.744 -4.340 1.00 0.00 O ATOM 1112 CB ALA A 82 -8.084 -6.968 -3.003 1.00 0.00 C ATOM 1113 OXT ALA A 82 -5.970 -6.088 -5.751 1.00 0.00 O ATOM 0 H ALA A 82 -7.731 -8.632 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.740 -6.819 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.465 -5.988 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.828 -7.730 -2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.166 -7.176 -2.453 1.00 0.00 H new TER 1119 ALA A 82