USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 641 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 68 THR OG1 : rot 65:sc= 0.204 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -1.76! C(o=-1.6!,f=-3.5!) USER MOD Set 2.1: A 28 CYS SG : rot 130:sc= 1.05 USER MOD Set 2.2: A 30 TYR OH : rot -118:sc= 1.43 USER MOD Set 3.1: A 13 GLN : amide:sc= -0.161 K(o=0.75,f=-7.7!) USER MOD Set 3.2: A 86 SER OG : rot 158:sc= 0.916 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 1:sc= 0.429 USER MOD Single : A 12 THR OG1 : rot -104:sc= 0.642 USER MOD Single : A 14 ASN : amide:sc= -0.185 K(o=-0.18,f=-0.73) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.63) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -150:sc= -3.45! (180deg=-4.64!) USER MOD Single : A 49 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.92) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -4.86! C(o=-4.9!,f=-5.4!) USER MOD Single : A 59 ASN : amide:sc= -0.391 X(o=-0.39,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -147:sc= -1.69 (180deg=-3.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.632 K(o=-0.63,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.513 K(o=-0.51,f=-6!) USER MOD Single : A 81 ASN : amide:sc= -0.545 K(o=-0.54,f=-1.5) USER MOD Single : A 83 SER OG : rot 180:sc=-0.00164 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.288 -3.106 -2.039 1.00 0.00 N ATOM 2 CA GLY A 1 28.879 -3.557 -3.356 1.00 0.00 C ATOM 3 C GLY A 1 27.561 -4.304 -3.330 1.00 0.00 C ATOM 4 O GLY A 1 27.398 -5.263 -2.575 1.00 0.00 O ATOM 0 H1 GLY A 1 30.194 -2.601 -2.111 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.565 -2.467 -1.651 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.398 -3.927 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.793 -2.697 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.652 -4.204 -3.771 1.00 0.00 H new ATOM 8 N SER A 2 26.616 -3.865 -4.155 1.00 0.00 N ATOM 9 CA SER A 2 25.303 -4.495 -4.220 1.00 0.00 C ATOM 10 C SER A 2 25.375 -5.824 -4.966 1.00 0.00 C ATOM 11 O SER A 2 26.317 -6.078 -5.716 1.00 0.00 O ATOM 12 CB SER A 2 24.300 -3.566 -4.906 1.00 0.00 C ATOM 13 OG SER A 2 23.852 -2.555 -4.020 1.00 0.00 O ATOM 0 H SER A 2 26.736 -3.074 -4.788 1.00 0.00 H new ATOM 0 HA SER A 2 24.969 -4.687 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.763 -3.109 -5.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.448 -4.145 -5.262 1.00 0.00 H new ATOM 0 HG SER A 2 23.213 -1.974 -4.483 1.00 0.00 H new ATOM 19 N SER A 3 24.371 -6.670 -4.753 1.00 0.00 N ATOM 20 CA SER A 3 24.321 -7.975 -5.402 1.00 0.00 C ATOM 21 C SER A 3 22.878 -8.410 -5.635 1.00 0.00 C ATOM 22 O SER A 3 22.031 -8.294 -4.751 1.00 0.00 O ATOM 23 CB SER A 3 25.049 -9.018 -4.552 1.00 0.00 C ATOM 24 OG SER A 3 25.068 -10.279 -5.198 1.00 0.00 O ATOM 0 H SER A 3 23.582 -6.475 -4.137 1.00 0.00 H new ATOM 0 HA SER A 3 24.818 -7.893 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.070 -8.688 -4.362 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.558 -9.109 -3.583 1.00 0.00 H new ATOM 0 HG SER A 3 25.540 -10.928 -4.635 1.00 0.00 H new ATOM 30 N GLY A 4 22.605 -8.914 -6.836 1.00 0.00 N ATOM 31 CA GLY A 4 21.264 -9.359 -7.166 1.00 0.00 C ATOM 32 C GLY A 4 21.253 -10.396 -8.271 1.00 0.00 C ATOM 33 O GLY A 4 21.624 -10.106 -9.408 1.00 0.00 O ATOM 0 H GLY A 4 23.289 -9.022 -7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.794 -9.776 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.665 -8.501 -7.471 1.00 0.00 H new ATOM 37 N SER A 5 20.829 -11.611 -7.936 1.00 0.00 N ATOM 38 CA SER A 5 20.777 -12.697 -8.908 1.00 0.00 C ATOM 39 C SER A 5 19.438 -13.424 -8.839 1.00 0.00 C ATOM 40 O SER A 5 18.772 -13.424 -7.803 1.00 0.00 O ATOM 41 CB SER A 5 21.920 -13.684 -8.663 1.00 0.00 C ATOM 42 OG SER A 5 21.846 -14.236 -7.360 1.00 0.00 O ATOM 0 H SER A 5 20.517 -11.868 -6.999 1.00 0.00 H new ATOM 0 HA SER A 5 20.886 -12.266 -9.903 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.879 -14.483 -9.403 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.876 -13.177 -8.793 1.00 0.00 H new ATOM 0 HG SER A 5 22.586 -14.865 -7.229 1.00 0.00 H new ATOM 48 N SER A 6 19.049 -14.043 -9.949 1.00 0.00 N ATOM 49 CA SER A 6 17.788 -14.772 -10.017 1.00 0.00 C ATOM 50 C SER A 6 18.017 -16.271 -9.853 1.00 0.00 C ATOM 51 O SER A 6 19.155 -16.733 -9.789 1.00 0.00 O ATOM 52 CB SER A 6 17.085 -14.494 -11.347 1.00 0.00 C ATOM 53 OG SER A 6 16.596 -13.165 -11.398 1.00 0.00 O ATOM 0 H SER A 6 19.589 -14.054 -10.814 1.00 0.00 H new ATOM 0 HA SER A 6 17.154 -14.428 -9.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.779 -14.661 -12.171 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.260 -15.194 -11.479 1.00 0.00 H new ATOM 0 HG SER A 6 16.153 -13.012 -12.259 1.00 0.00 H new ATOM 59 N GLY A 7 16.925 -17.027 -9.785 1.00 0.00 N ATOM 60 CA GLY A 7 17.026 -18.466 -9.629 1.00 0.00 C ATOM 61 C GLY A 7 16.225 -19.220 -10.672 1.00 0.00 C ATOM 62 O GLY A 7 16.693 -19.472 -11.783 1.00 0.00 O ATOM 0 H GLY A 7 15.972 -16.668 -9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.073 -18.763 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.677 -18.746 -8.635 1.00 0.00 H new ATOM 66 N PRO A 8 14.988 -19.596 -10.315 1.00 0.00 N ATOM 67 CA PRO A 8 14.094 -20.332 -11.214 1.00 0.00 C ATOM 68 C PRO A 8 13.605 -19.475 -12.376 1.00 0.00 C ATOM 69 O PRO A 8 14.018 -18.324 -12.529 1.00 0.00 O ATOM 70 CB PRO A 8 12.924 -20.724 -10.308 1.00 0.00 C ATOM 71 CG PRO A 8 12.925 -19.701 -9.225 1.00 0.00 C ATOM 72 CD PRO A 8 14.366 -19.329 -9.007 1.00 0.00 C ATOM 0 HA PRO A 8 14.594 -21.182 -11.680 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.981 -20.721 -10.855 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.055 -21.728 -9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.336 -18.830 -9.511 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.482 -20.099 -8.312 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.472 -18.284 -8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.820 -19.926 -8.216 1.00 0.00 H new ATOM 80 N LEU A 9 12.723 -20.041 -13.192 1.00 0.00 N ATOM 81 CA LEU A 9 12.176 -19.327 -14.341 1.00 0.00 C ATOM 82 C LEU A 9 11.312 -18.153 -13.892 1.00 0.00 C ATOM 83 O LEU A 9 10.608 -18.218 -12.884 1.00 0.00 O ATOM 84 CB LEU A 9 11.352 -20.277 -15.211 1.00 0.00 C ATOM 85 CG LEU A 9 12.115 -21.004 -16.320 1.00 0.00 C ATOM 86 CD1 LEU A 9 12.290 -20.099 -17.529 1.00 0.00 C ATOM 87 CD2 LEU A 9 13.466 -21.484 -15.811 1.00 0.00 C ATOM 0 H LEU A 9 12.371 -20.992 -13.080 1.00 0.00 H new ATOM 0 HA LEU A 9 13.009 -18.938 -14.926 1.00 0.00 H new ATOM 0 HB2 LEU A 9 10.893 -21.024 -14.564 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.541 -19.709 -15.667 1.00 0.00 H new ATOM 0 HG LEU A 9 11.534 -21.874 -16.625 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.835 -20.633 -18.307 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.311 -19.805 -17.908 1.00 0.00 H new ATOM 0 HD13 LEU A 9 12.850 -19.209 -17.240 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.995 -21.999 -16.613 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.054 -20.629 -15.479 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.318 -22.169 -14.976 1.00 0.00 H new ATOM 99 N PRO A 10 11.364 -17.053 -14.657 1.00 0.00 N ATOM 100 CA PRO A 10 10.590 -15.844 -14.360 1.00 0.00 C ATOM 101 C PRO A 10 9.094 -16.044 -14.578 1.00 0.00 C ATOM 102 O PRO A 10 8.590 -15.866 -15.687 1.00 0.00 O ATOM 103 CB PRO A 10 11.142 -14.816 -15.351 1.00 0.00 C ATOM 104 CG PRO A 10 11.672 -15.628 -16.482 1.00 0.00 C ATOM 105 CD PRO A 10 12.181 -16.905 -15.873 1.00 0.00 C ATOM 0 HA PRO A 10 10.687 -15.545 -13.316 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.363 -14.131 -15.686 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.926 -14.210 -14.897 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.892 -15.830 -17.216 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.470 -15.098 -17.002 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.053 -17.751 -16.548 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.244 -16.842 -15.638 1.00 0.00 H new ATOM 113 N SER A 11 8.390 -16.415 -13.514 1.00 0.00 N ATOM 114 CA SER A 11 6.952 -16.643 -13.590 1.00 0.00 C ATOM 115 C SER A 11 6.300 -16.466 -12.222 1.00 0.00 C ATOM 116 O SER A 11 6.644 -17.157 -11.263 1.00 0.00 O ATOM 117 CB SER A 11 6.664 -18.047 -14.127 1.00 0.00 C ATOM 118 OG SER A 11 7.130 -18.189 -15.458 1.00 0.00 O ATOM 0 H SER A 11 8.792 -16.564 -12.589 1.00 0.00 H new ATOM 0 HA SER A 11 6.529 -15.906 -14.273 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.144 -18.789 -13.489 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.592 -18.241 -14.091 1.00 0.00 H new ATOM 0 HG SER A 11 7.558 -17.356 -15.745 1.00 0.00 H new ATOM 124 N THR A 12 5.355 -15.534 -12.140 1.00 0.00 N ATOM 125 CA THR A 12 4.655 -15.264 -10.891 1.00 0.00 C ATOM 126 C THR A 12 3.157 -15.507 -11.036 1.00 0.00 C ATOM 127 O THR A 12 2.469 -14.783 -11.755 1.00 0.00 O ATOM 128 CB THR A 12 4.885 -13.816 -10.420 1.00 0.00 C ATOM 129 OG1 THR A 12 6.285 -13.578 -10.232 1.00 0.00 O ATOM 130 CG2 THR A 12 4.141 -13.545 -9.121 1.00 0.00 C ATOM 0 H THR A 12 5.057 -14.954 -12.924 1.00 0.00 H new ATOM 0 HA THR A 12 5.061 -15.949 -10.147 1.00 0.00 H new ATOM 0 HB THR A 12 4.502 -13.143 -11.187 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.491 -13.578 -9.274 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.318 -12.516 -8.808 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.073 -13.698 -9.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.498 -14.226 -8.348 1.00 0.00 H new ATOM 138 N GLN A 13 2.659 -16.530 -10.349 1.00 0.00 N ATOM 139 CA GLN A 13 1.241 -16.868 -10.403 1.00 0.00 C ATOM 140 C GLN A 13 0.404 -15.816 -9.683 1.00 0.00 C ATOM 141 O GLN A 13 -0.606 -15.347 -10.208 1.00 0.00 O ATOM 142 CB GLN A 13 0.999 -18.243 -9.780 1.00 0.00 C ATOM 143 CG GLN A 13 1.713 -19.373 -10.504 1.00 0.00 C ATOM 144 CD GLN A 13 3.199 -19.411 -10.204 1.00 0.00 C ATOM 145 OE1 GLN A 13 3.644 -18.947 -9.155 1.00 0.00 O ATOM 146 NE2 GLN A 13 3.975 -19.965 -11.128 1.00 0.00 N ATOM 0 H GLN A 13 3.216 -17.139 -9.749 1.00 0.00 H new ATOM 0 HA GLN A 13 0.938 -16.893 -11.450 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.326 -18.224 -8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.072 -18.446 -9.773 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.264 -20.324 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.566 -19.262 -11.578 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.563 -20.337 -11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.983 -20.018 -10.982 1.00 0.00 H new ATOM 155 N ASN A 14 0.830 -15.450 -8.479 1.00 0.00 N ATOM 156 CA ASN A 14 0.118 -14.453 -7.686 1.00 0.00 C ATOM 157 C ASN A 14 1.062 -13.760 -6.709 1.00 0.00 C ATOM 158 O ASN A 14 1.820 -14.413 -5.993 1.00 0.00 O ATOM 159 CB ASN A 14 -1.035 -15.108 -6.922 1.00 0.00 C ATOM 160 CG ASN A 14 -2.323 -15.127 -7.723 1.00 0.00 C ATOM 161 OD1 ASN A 14 -2.566 -16.045 -8.507 1.00 0.00 O ATOM 162 ND2 ASN A 14 -3.155 -14.110 -7.530 1.00 0.00 N ATOM 0 H ASN A 14 1.664 -15.828 -8.030 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.285 -13.703 -8.367 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.759 -16.129 -6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.199 -14.571 -5.988 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.036 -14.068 -8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.913 -13.371 -6.870 1.00 0.00 H new ATOM 169 N GLY A 15 1.009 -12.432 -6.685 1.00 0.00 N ATOM 170 CA GLY A 15 1.863 -11.671 -5.791 1.00 0.00 C ATOM 171 C GLY A 15 1.144 -10.495 -5.163 1.00 0.00 C ATOM 172 O GLY A 15 -0.023 -10.227 -5.451 1.00 0.00 O ATOM 0 H GLY A 15 0.390 -11.869 -7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.236 -12.327 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.731 -11.310 -6.343 1.00 0.00 H new ATOM 176 N PRO A 16 1.846 -9.770 -4.280 1.00 0.00 N ATOM 177 CA PRO A 16 1.287 -8.604 -3.589 1.00 0.00 C ATOM 178 C PRO A 16 1.065 -7.424 -4.529 1.00 0.00 C ATOM 179 O PRO A 16 1.711 -7.318 -5.571 1.00 0.00 O ATOM 180 CB PRO A 16 2.354 -8.263 -2.546 1.00 0.00 C ATOM 181 CG PRO A 16 3.623 -8.801 -3.113 1.00 0.00 C ATOM 182 CD PRO A 16 3.241 -10.032 -3.888 1.00 0.00 C ATOM 0 HA PRO A 16 0.307 -8.816 -3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.418 -7.187 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.126 -8.719 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.104 -8.067 -3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.333 -9.043 -2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.883 -10.174 -4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.325 -10.932 -3.279 1.00 0.00 H new ATOM 190 N VAL A 17 0.146 -6.539 -4.154 1.00 0.00 N ATOM 191 CA VAL A 17 -0.160 -5.366 -4.964 1.00 0.00 C ATOM 192 C VAL A 17 0.658 -4.160 -4.515 1.00 0.00 C ATOM 193 O VAL A 17 0.589 -3.745 -3.358 1.00 0.00 O ATOM 194 CB VAL A 17 -1.657 -5.011 -4.894 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.975 -3.853 -5.828 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.508 -6.226 -5.229 1.00 0.00 C ATOM 0 H VAL A 17 -0.399 -6.612 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 17 0.099 -5.615 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.892 -4.701 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.037 -3.616 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.391 -2.980 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.725 -4.132 -6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.563 -5.957 -5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.272 -6.569 -6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.300 -7.024 -4.516 1.00 0.00 H new ATOM 206 N PHE A 18 1.434 -3.602 -5.439 1.00 0.00 N ATOM 207 CA PHE A 18 2.267 -2.443 -5.138 1.00 0.00 C ATOM 208 C PHE A 18 1.616 -1.160 -5.646 1.00 0.00 C ATOM 209 O PHE A 18 0.854 -1.177 -6.612 1.00 0.00 O ATOM 210 CB PHE A 18 3.652 -2.608 -5.766 1.00 0.00 C ATOM 211 CG PHE A 18 4.546 -3.548 -5.008 1.00 0.00 C ATOM 212 CD1 PHE A 18 5.319 -3.091 -3.954 1.00 0.00 C ATOM 213 CD2 PHE A 18 4.612 -4.889 -5.351 1.00 0.00 C ATOM 214 CE1 PHE A 18 6.142 -3.954 -3.254 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.433 -5.756 -4.655 1.00 0.00 C ATOM 216 CZ PHE A 18 6.199 -5.288 -3.606 1.00 0.00 C ATOM 0 H PHE A 18 1.503 -3.933 -6.401 1.00 0.00 H new ATOM 0 HA PHE A 18 2.372 -2.373 -4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.538 -2.972 -6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.133 -1.632 -5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.279 -2.048 -3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.015 -5.261 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.739 -3.585 -2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.475 -6.799 -4.932 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.842 -5.964 -3.062 1.00 0.00 H new ATOM 226 N ALA A 19 1.922 -0.047 -4.985 1.00 0.00 N ATOM 227 CA ALA A 19 1.369 1.245 -5.369 1.00 0.00 C ATOM 228 C ALA A 19 2.174 2.389 -4.761 1.00 0.00 C ATOM 229 O ALA A 19 2.258 2.523 -3.540 1.00 0.00 O ATOM 230 CB ALA A 19 -0.090 1.342 -4.947 1.00 0.00 C ATOM 0 H ALA A 19 2.550 -0.015 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 19 1.428 1.329 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.490 2.313 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.663 0.552 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.164 1.231 -3.865 1.00 0.00 H new ATOM 236 N LYS A 20 2.765 3.212 -5.620 1.00 0.00 N ATOM 237 CA LYS A 20 3.563 4.346 -5.169 1.00 0.00 C ATOM 238 C LYS A 20 2.679 5.555 -4.884 1.00 0.00 C ATOM 239 O LYS A 20 1.702 5.801 -5.590 1.00 0.00 O ATOM 240 CB LYS A 20 4.615 4.706 -6.221 1.00 0.00 C ATOM 241 CG LYS A 20 4.072 5.552 -7.359 1.00 0.00 C ATOM 242 CD LYS A 20 5.110 5.753 -8.450 1.00 0.00 C ATOM 243 CE LYS A 20 6.033 6.919 -8.133 1.00 0.00 C ATOM 244 NZ LYS A 20 6.592 7.536 -9.368 1.00 0.00 N ATOM 0 H LYS A 20 2.706 3.115 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 20 4.065 4.060 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.431 5.243 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.036 3.788 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.188 5.072 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.756 6.521 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.698 4.843 -8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.609 5.932 -9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.485 7.672 -7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.849 6.574 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.216 8.327 -9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.136 6.824 -9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.815 7.888 -9.962 1.00 0.00 H new ATOM 258 N ALA A 21 3.029 6.307 -3.846 1.00 0.00 N ATOM 259 CA ALA A 21 2.269 7.493 -3.470 1.00 0.00 C ATOM 260 C ALA A 21 2.570 8.658 -4.407 1.00 0.00 C ATOM 261 O ALA A 21 3.672 9.205 -4.397 1.00 0.00 O ATOM 262 CB ALA A 21 2.571 7.880 -2.030 1.00 0.00 C ATOM 0 H ALA A 21 3.834 6.116 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 21 1.209 7.256 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.996 8.767 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.298 7.058 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.635 8.092 -1.926 1.00 0.00 H new ATOM 268 N ILE A 22 1.583 9.031 -5.216 1.00 0.00 N ATOM 269 CA ILE A 22 1.743 10.131 -6.158 1.00 0.00 C ATOM 270 C ILE A 22 1.648 11.479 -5.451 1.00 0.00 C ATOM 271 O ILE A 22 2.230 12.467 -5.898 1.00 0.00 O ATOM 272 CB ILE A 22 0.685 10.074 -7.275 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.716 9.938 -6.675 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.976 8.918 -8.221 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.827 10.177 -7.673 1.00 0.00 C ATOM 0 H ILE A 22 0.665 8.587 -5.237 1.00 0.00 H new ATOM 0 HA ILE A 22 2.733 10.025 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 22 0.728 11.003 -7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.826 8.939 -6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.820 10.645 -5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.220 8.890 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.960 9.054 -8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.957 7.980 -7.666 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.791 10.064 -7.178 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.742 11.186 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.749 9.454 -8.485 1.00 0.00 H new ATOM 287 N GLN A 23 0.911 11.510 -4.345 1.00 0.00 N ATOM 288 CA GLN A 23 0.741 12.737 -3.576 1.00 0.00 C ATOM 289 C GLN A 23 1.350 12.596 -2.185 1.00 0.00 C ATOM 290 O GLN A 23 1.610 11.487 -1.719 1.00 0.00 O ATOM 291 CB GLN A 23 -0.743 13.090 -3.463 1.00 0.00 C ATOM 292 CG GLN A 23 -1.293 13.809 -4.684 1.00 0.00 C ATOM 293 CD GLN A 23 -0.354 14.882 -5.201 1.00 0.00 C ATOM 294 OE1 GLN A 23 0.259 14.729 -6.258 1.00 0.00 O ATOM 295 NE2 GLN A 23 -0.237 15.975 -4.457 1.00 0.00 N ATOM 0 H GLN A 23 0.423 10.700 -3.962 1.00 0.00 H new ATOM 0 HA GLN A 23 1.260 13.540 -4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.314 12.176 -3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.893 13.717 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.480 13.083 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.253 14.261 -4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.764 16.059 -3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.380 16.731 -4.754 1.00 0.00 H new ATOM 304 N LYS A 24 1.576 13.728 -1.527 1.00 0.00 N ATOM 305 CA LYS A 24 2.154 13.732 -0.188 1.00 0.00 C ATOM 306 C LYS A 24 1.123 13.304 0.851 1.00 0.00 C ATOM 307 O LYS A 24 -0.028 13.738 0.813 1.00 0.00 O ATOM 308 CB LYS A 24 2.690 15.124 0.154 1.00 0.00 C ATOM 309 CG LYS A 24 3.712 15.123 1.278 1.00 0.00 C ATOM 310 CD LYS A 24 4.557 16.386 1.264 1.00 0.00 C ATOM 311 CE LYS A 24 3.798 17.571 1.840 1.00 0.00 C ATOM 312 NZ LYS A 24 3.996 17.695 3.311 1.00 0.00 N ATOM 0 H LYS A 24 1.368 14.655 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 24 2.977 13.018 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.143 15.559 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.855 15.767 0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.200 15.037 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.358 14.251 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.468 16.222 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.862 16.610 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.129 18.487 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.735 17.461 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.462 18.514 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.657 16.832 3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.007 17.826 3.515 1.00 0.00 H new ATOM 326 N ARG A 25 1.544 12.451 1.780 1.00 0.00 N ATOM 327 CA ARG A 25 0.657 11.965 2.829 1.00 0.00 C ATOM 328 C ARG A 25 1.008 12.596 4.173 1.00 0.00 C ATOM 329 O ARG A 25 2.127 12.451 4.666 1.00 0.00 O ATOM 330 CB ARG A 25 0.740 10.441 2.932 1.00 0.00 C ATOM 331 CG ARG A 25 -0.258 9.715 2.046 1.00 0.00 C ATOM 332 CD ARG A 25 -1.663 9.771 2.627 1.00 0.00 C ATOM 333 NE ARG A 25 -1.848 8.804 3.705 1.00 0.00 N ATOM 334 CZ ARG A 25 -2.954 8.720 4.435 1.00 0.00 C ATOM 335 NH1 ARG A 25 -3.970 9.541 4.203 1.00 0.00 N ATOM 336 NH2 ARG A 25 -3.047 7.814 5.400 1.00 0.00 N ATOM 0 H ARG A 25 2.494 12.083 1.827 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.362 12.249 2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.748 10.122 2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.575 10.146 3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.256 10.162 1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.047 8.675 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.860 10.775 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.390 9.578 1.838 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.086 8.157 3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.903 10.239 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.818 9.474 4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.268 7.181 5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.897 7.751 5.960 1.00 0.00 H new ATOM 350 N VAL A 26 0.044 13.298 4.762 1.00 0.00 N ATOM 351 CA VAL A 26 0.251 13.951 6.049 1.00 0.00 C ATOM 352 C VAL A 26 -0.860 13.594 7.031 1.00 0.00 C ATOM 353 O VAL A 26 -1.909 14.236 7.079 1.00 0.00 O ATOM 354 CB VAL A 26 0.316 15.482 5.898 1.00 0.00 C ATOM 355 CG1 VAL A 26 0.562 16.142 7.245 1.00 0.00 C ATOM 356 CG2 VAL A 26 1.393 15.873 4.898 1.00 0.00 C ATOM 0 H VAL A 26 -0.888 13.429 4.368 1.00 0.00 H new ATOM 0 HA VAL A 26 1.204 13.592 6.437 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.644 15.833 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.605 17.224 7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.249 15.889 7.928 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.507 15.787 7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.425 16.958 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.361 15.510 5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.166 15.431 3.928 1.00 0.00 H new ATOM 366 N PRO A 27 -0.626 12.546 7.834 1.00 0.00 N ATOM 367 CA PRO A 27 -1.595 12.081 8.831 1.00 0.00 C ATOM 368 C PRO A 27 -1.749 13.060 9.990 1.00 0.00 C ATOM 369 O PRO A 27 -0.762 13.488 10.589 1.00 0.00 O ATOM 370 CB PRO A 27 -0.993 10.762 9.322 1.00 0.00 C ATOM 371 CG PRO A 27 0.469 10.897 9.073 1.00 0.00 C ATOM 372 CD PRO A 27 0.603 11.735 7.832 1.00 0.00 C ATOM 0 HA PRO A 27 -2.595 11.979 8.410 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.201 10.601 10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.410 9.912 8.782 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.967 11.371 9.919 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.933 9.920 8.936 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.496 12.359 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.676 11.118 6.936 1.00 0.00 H new ATOM 380 N CYS A 28 -2.993 13.410 10.301 1.00 0.00 N ATOM 381 CA CYS A 28 -3.276 14.339 11.389 1.00 0.00 C ATOM 382 C CYS A 28 -2.686 13.835 12.702 1.00 0.00 C ATOM 383 O CYS A 28 -2.213 12.702 12.787 1.00 0.00 O ATOM 384 CB CYS A 28 -4.785 14.538 11.537 1.00 0.00 C ATOM 385 SG CYS A 28 -5.551 15.430 10.163 1.00 0.00 S ATOM 0 H CYS A 28 -3.821 13.064 9.815 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.812 15.295 11.147 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.261 13.562 11.633 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.980 15.081 12.462 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.587 14.768 9.740 1.00 0.00 H new ATOM 391 N ALA A 29 -2.716 14.685 13.723 1.00 0.00 N ATOM 392 CA ALA A 29 -2.184 14.326 15.031 1.00 0.00 C ATOM 393 C ALA A 29 -3.029 13.239 15.688 1.00 0.00 C ATOM 394 O ALA A 29 -2.516 12.188 16.071 1.00 0.00 O ATOM 395 CB ALA A 29 -2.112 15.554 15.927 1.00 0.00 C ATOM 0 H ALA A 29 -3.103 15.627 13.669 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.177 13.932 14.890 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.713 15.271 16.901 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.461 16.300 15.471 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.111 15.972 16.052 1.00 0.00 H new ATOM 401 N TYR A 30 -4.325 13.500 15.815 1.00 0.00 N ATOM 402 CA TYR A 30 -5.240 12.545 16.428 1.00 0.00 C ATOM 403 C TYR A 30 -5.216 11.213 15.685 1.00 0.00 C ATOM 404 O TYR A 30 -5.392 10.152 16.284 1.00 0.00 O ATOM 405 CB TYR A 30 -6.662 13.108 16.444 1.00 0.00 C ATOM 406 CG TYR A 30 -7.070 13.761 15.142 1.00 0.00 C ATOM 407 CD1 TYR A 30 -7.651 13.018 14.122 1.00 0.00 C ATOM 408 CD2 TYR A 30 -6.872 15.120 14.932 1.00 0.00 C ATOM 409 CE1 TYR A 30 -8.024 13.610 12.931 1.00 0.00 C ATOM 410 CE2 TYR A 30 -7.243 15.720 13.745 1.00 0.00 C ATOM 411 CZ TYR A 30 -7.819 14.961 12.747 1.00 0.00 C ATOM 412 OH TYR A 30 -8.188 15.556 11.563 1.00 0.00 O ATOM 0 H TYR A 30 -4.766 14.365 15.502 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.913 12.374 17.453 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.360 12.302 16.671 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.746 13.838 17.249 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.814 11.960 14.263 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.420 15.717 15.710 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.474 13.018 12.148 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.083 16.778 13.598 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.396 15.930 11.124 1.00 0.00 H new ATOM 422 N ASP A 31 -4.996 11.277 14.377 1.00 0.00 N ATOM 423 CA ASP A 31 -4.947 10.077 13.550 1.00 0.00 C ATOM 424 C ASP A 31 -3.738 9.219 13.910 1.00 0.00 C ATOM 425 O ASP A 31 -2.598 9.580 13.618 1.00 0.00 O ATOM 426 CB ASP A 31 -4.897 10.454 12.068 1.00 0.00 C ATOM 427 CG ASP A 31 -6.276 10.689 11.484 1.00 0.00 C ATOM 428 OD1 ASP A 31 -6.984 9.695 11.217 1.00 0.00 O ATOM 429 OD2 ASP A 31 -6.648 11.866 11.293 1.00 0.00 O ATOM 0 H ASP A 31 -4.849 12.147 13.866 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.851 9.498 13.739 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.295 11.355 11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.400 9.660 11.511 1.00 0.00 H new ATOM 434 N LYS A 32 -3.996 8.081 14.546 1.00 0.00 N ATOM 435 CA LYS A 32 -2.930 7.170 14.946 1.00 0.00 C ATOM 436 C LYS A 32 -2.819 6.001 13.972 1.00 0.00 C ATOM 437 O LYS A 32 -1.841 5.253 13.992 1.00 0.00 O ATOM 438 CB LYS A 32 -3.184 6.646 16.361 1.00 0.00 C ATOM 439 CG LYS A 32 -1.913 6.320 17.126 1.00 0.00 C ATOM 440 CD LYS A 32 -2.177 6.193 18.617 1.00 0.00 C ATOM 441 CE LYS A 32 -1.140 5.310 19.294 1.00 0.00 C ATOM 442 NZ LYS A 32 -1.482 5.045 20.719 1.00 0.00 N ATOM 0 H LYS A 32 -4.934 7.768 14.795 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.990 7.722 14.932 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.753 7.390 16.918 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.803 5.750 16.302 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.490 5.389 16.750 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.172 7.100 16.952 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.168 7.182 19.075 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.171 5.776 18.777 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.062 4.364 18.757 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.163 5.789 19.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.751 4.440 21.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.531 5.945 21.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.403 4.564 20.771 1.00 0.00 H new ATOM 456 N THR A 33 -3.828 5.849 13.119 1.00 0.00 N ATOM 457 CA THR A 33 -3.843 4.772 12.138 1.00 0.00 C ATOM 458 C THR A 33 -3.495 5.291 10.747 1.00 0.00 C ATOM 459 O THR A 33 -3.291 4.511 9.817 1.00 0.00 O ATOM 460 CB THR A 33 -5.218 4.079 12.086 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.249 5.050 11.876 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.488 3.315 13.374 1.00 0.00 C ATOM 0 H THR A 33 -4.645 6.459 13.088 1.00 0.00 H new ATOM 0 HA THR A 33 -3.091 4.048 12.451 1.00 0.00 H new ATOM 0 HB THR A 33 -5.212 3.371 11.257 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.119 4.601 11.843 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.464 2.834 13.314 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.718 2.557 13.515 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.475 4.006 14.217 1.00 0.00 H new ATOM 470 N ALA A 34 -3.429 6.611 10.612 1.00 0.00 N ATOM 471 CA ALA A 34 -3.103 7.233 9.335 1.00 0.00 C ATOM 472 C ALA A 34 -1.627 7.053 8.997 1.00 0.00 C ATOM 473 O ALA A 34 -0.752 7.570 9.693 1.00 0.00 O ATOM 474 CB ALA A 34 -3.463 8.711 9.361 1.00 0.00 C ATOM 0 H ALA A 34 -3.597 7.271 11.372 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.689 6.740 8.559 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.214 9.163 8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.531 8.822 9.548 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.902 9.208 10.152 1.00 0.00 H new ATOM 480 N LEU A 35 -1.356 6.315 7.926 1.00 0.00 N ATOM 481 CA LEU A 35 0.015 6.065 7.496 1.00 0.00 C ATOM 482 C LEU A 35 0.599 7.289 6.797 1.00 0.00 C ATOM 483 O LEU A 35 -0.046 7.892 5.940 1.00 0.00 O ATOM 484 CB LEU A 35 0.065 4.857 6.559 1.00 0.00 C ATOM 485 CG LEU A 35 1.358 4.042 6.582 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.203 2.771 5.761 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.522 4.874 6.065 1.00 0.00 C ATOM 0 H LEU A 35 -2.068 5.879 7.340 1.00 0.00 H new ATOM 0 HA LEU A 35 0.614 5.855 8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.763 4.194 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.103 5.206 5.540 1.00 0.00 H new ATOM 0 HG LEU A 35 1.569 3.760 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.133 2.204 5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.397 2.166 6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.968 3.031 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.434 4.278 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.319 5.187 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.648 5.755 6.695 1.00 0.00 H new ATOM 499 N ALA A 36 1.823 7.648 7.168 1.00 0.00 N ATOM 500 CA ALA A 36 2.495 8.797 6.574 1.00 0.00 C ATOM 501 C ALA A 36 3.417 8.367 5.438 1.00 0.00 C ATOM 502 O ALA A 36 4.175 7.406 5.570 1.00 0.00 O ATOM 503 CB ALA A 36 3.279 9.556 7.634 1.00 0.00 C ATOM 0 H ALA A 36 2.370 7.160 7.877 1.00 0.00 H new ATOM 0 HA ALA A 36 1.734 9.457 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.776 10.411 7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.598 9.905 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.026 8.897 8.076 1.00 0.00 H new ATOM 509 N LEU A 37 3.346 9.084 4.322 1.00 0.00 N ATOM 510 CA LEU A 37 4.174 8.776 3.161 1.00 0.00 C ATOM 511 C LEU A 37 4.609 10.052 2.448 1.00 0.00 C ATOM 512 O LEU A 37 4.066 11.128 2.696 1.00 0.00 O ATOM 513 CB LEU A 37 3.412 7.871 2.191 1.00 0.00 C ATOM 514 CG LEU A 37 2.864 6.569 2.778 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.812 5.971 1.858 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.992 5.576 3.018 1.00 0.00 C ATOM 0 H LEU A 37 2.724 9.882 4.196 1.00 0.00 H new ATOM 0 HA LEU A 37 5.065 8.255 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.579 8.438 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.074 7.622 1.362 1.00 0.00 H new ATOM 0 HG LEU A 37 2.395 6.793 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.433 5.045 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.991 6.677 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.256 5.761 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.584 4.656 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.490 5.356 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.711 6.004 3.717 1.00 0.00 H new ATOM 528 N GLU A 38 5.590 9.923 1.560 1.00 0.00 N ATOM 529 CA GLU A 38 6.096 11.067 0.811 1.00 0.00 C ATOM 530 C GLU A 38 6.000 10.818 -0.692 1.00 0.00 C ATOM 531 O GLU A 38 6.125 9.684 -1.154 1.00 0.00 O ATOM 532 CB GLU A 38 7.547 11.358 1.199 1.00 0.00 C ATOM 533 CG GLU A 38 7.690 12.055 2.541 1.00 0.00 C ATOM 534 CD GLU A 38 7.645 11.089 3.708 1.00 0.00 C ATOM 535 OE1 GLU A 38 8.690 10.478 4.013 1.00 0.00 O ATOM 536 OE2 GLU A 38 6.564 10.943 4.317 1.00 0.00 O ATOM 0 H GLU A 38 6.049 9.039 1.342 1.00 0.00 H new ATOM 0 HA GLU A 38 5.481 11.932 1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.102 10.420 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.003 11.977 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.632 12.602 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.892 12.790 2.651 1.00 0.00 H new ATOM 543 N VAL A 39 5.777 11.887 -1.450 1.00 0.00 N ATOM 544 CA VAL A 39 5.664 11.786 -2.900 1.00 0.00 C ATOM 545 C VAL A 39 6.804 10.958 -3.483 1.00 0.00 C ATOM 546 O VAL A 39 7.946 11.411 -3.544 1.00 0.00 O ATOM 547 CB VAL A 39 5.664 13.177 -3.561 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.609 13.049 -5.076 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.502 14.012 -3.045 1.00 0.00 C ATOM 0 H VAL A 39 5.671 12.833 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 39 4.715 11.292 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 39 6.592 13.685 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.610 14.042 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.478 12.492 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.700 12.521 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.518 14.992 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.562 13.510 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.592 14.133 -1.966 1.00 0.00 H new ATOM 559 N GLY A 40 6.485 9.741 -3.913 1.00 0.00 N ATOM 560 CA GLY A 40 7.492 8.869 -4.487 1.00 0.00 C ATOM 561 C GLY A 40 7.880 7.739 -3.554 1.00 0.00 C ATOM 562 O GLY A 40 9.038 7.322 -3.521 1.00 0.00 O ATOM 0 H GLY A 40 5.546 9.344 -3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.117 8.452 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.378 9.454 -4.732 1.00 0.00 H new ATOM 566 N ASP A 41 6.911 7.243 -2.793 1.00 0.00 N ATOM 567 CA ASP A 41 7.157 6.155 -1.854 1.00 0.00 C ATOM 568 C ASP A 41 6.333 4.924 -2.221 1.00 0.00 C ATOM 569 O ASP A 41 5.164 5.036 -2.590 1.00 0.00 O ATOM 570 CB ASP A 41 6.827 6.599 -0.428 1.00 0.00 C ATOM 571 CG ASP A 41 7.677 5.892 0.609 1.00 0.00 C ATOM 572 OD1 ASP A 41 7.726 4.645 0.586 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.293 6.587 1.445 1.00 0.00 O ATOM 0 H ASP A 41 5.947 7.577 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 41 8.213 5.892 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.975 7.676 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.774 6.405 -0.224 1.00 0.00 H new ATOM 578 N ILE A 42 6.951 3.753 -2.117 1.00 0.00 N ATOM 579 CA ILE A 42 6.275 2.502 -2.437 1.00 0.00 C ATOM 580 C ILE A 42 5.547 1.943 -1.220 1.00 0.00 C ATOM 581 O ILE A 42 6.139 1.771 -0.154 1.00 0.00 O ATOM 582 CB ILE A 42 7.265 1.444 -2.960 1.00 0.00 C ATOM 583 CG1 ILE A 42 8.019 1.978 -4.179 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.532 0.157 -3.305 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.125 2.657 -5.193 1.00 0.00 C ATOM 0 H ILE A 42 7.919 3.644 -1.814 1.00 0.00 H new ATOM 0 HA ILE A 42 5.550 2.727 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 42 7.989 1.227 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.778 2.685 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.542 1.153 -4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.245 -0.580 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.037 -0.230 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.787 0.358 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.727 3.011 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.381 1.947 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.621 3.503 -4.725 1.00 0.00 H new ATOM 597 N VAL A 43 4.259 1.659 -1.386 1.00 0.00 N ATOM 598 CA VAL A 43 3.450 1.116 -0.301 1.00 0.00 C ATOM 599 C VAL A 43 3.046 -0.327 -0.586 1.00 0.00 C ATOM 600 O VAL A 43 2.142 -0.585 -1.380 1.00 0.00 O ATOM 601 CB VAL A 43 2.180 1.957 -0.073 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.489 1.542 1.217 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.521 3.440 -0.052 1.00 0.00 C ATOM 0 H VAL A 43 3.753 1.796 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 43 4.064 1.148 0.599 1.00 0.00 H new ATOM 0 HB VAL A 43 1.492 1.777 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.594 2.147 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.210 0.490 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.167 1.691 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.612 4.020 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.227 3.640 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.968 3.724 -1.005 1.00 0.00 H new ATOM 613 N LYS A 44 3.722 -1.264 0.069 1.00 0.00 N ATOM 614 CA LYS A 44 3.434 -2.682 -0.111 1.00 0.00 C ATOM 615 C LYS A 44 2.277 -3.120 0.781 1.00 0.00 C ATOM 616 O LYS A 44 2.422 -3.218 1.999 1.00 0.00 O ATOM 617 CB LYS A 44 4.677 -3.520 0.200 1.00 0.00 C ATOM 618 CG LYS A 44 4.520 -4.991 -0.144 1.00 0.00 C ATOM 619 CD LYS A 44 5.384 -5.867 0.748 1.00 0.00 C ATOM 620 CE LYS A 44 5.142 -7.345 0.481 1.00 0.00 C ATOM 621 NZ LYS A 44 6.095 -8.208 1.232 1.00 0.00 N ATOM 0 H LYS A 44 4.474 -1.067 0.730 1.00 0.00 H new ATOM 0 HA LYS A 44 3.148 -2.839 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.525 -3.115 -0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.912 -3.426 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.475 -5.281 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.791 -5.153 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.435 -5.633 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.171 -5.645 1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.121 -7.602 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.238 -7.542 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.897 -9.207 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.069 -7.981 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.986 -8.040 2.252 1.00 0.00 H new ATOM 635 N VAL A 45 1.128 -3.383 0.166 1.00 0.00 N ATOM 636 CA VAL A 45 -0.053 -3.813 0.904 1.00 0.00 C ATOM 637 C VAL A 45 -0.337 -5.293 0.673 1.00 0.00 C ATOM 638 O VAL A 45 -0.279 -5.780 -0.457 1.00 0.00 O ATOM 639 CB VAL A 45 -1.295 -2.995 0.502 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.393 -2.883 -1.011 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.555 -3.620 1.082 1.00 0.00 C ATOM 0 H VAL A 45 0.990 -3.306 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 45 0.157 -3.647 1.961 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.195 -1.990 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.276 -2.302 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.503 -2.387 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.470 -3.880 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.423 -3.029 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.664 -4.637 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.483 -3.642 2.169 1.00 0.00 H new ATOM 651 N THR A 46 -0.646 -6.007 1.752 1.00 0.00 N ATOM 652 CA THR A 46 -0.938 -7.432 1.668 1.00 0.00 C ATOM 653 C THR A 46 -2.426 -7.700 1.865 1.00 0.00 C ATOM 654 O THR A 46 -2.945 -8.725 1.423 1.00 0.00 O ATOM 655 CB THR A 46 -0.141 -8.232 2.715 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.500 -7.807 4.034 1.00 0.00 O ATOM 657 CG2 THR A 46 1.356 -8.052 2.509 1.00 0.00 C ATOM 0 H THR A 46 -0.700 -5.620 2.694 1.00 0.00 H new ATOM 0 HA THR A 46 -0.641 -7.757 0.671 1.00 0.00 H new ATOM 0 HB THR A 46 -0.384 -9.288 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.010 -8.322 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.898 -8.626 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.631 -8.404 1.515 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.612 -6.997 2.604 1.00 0.00 H new ATOM 665 N ARG A 47 -3.106 -6.773 2.531 1.00 0.00 N ATOM 666 CA ARG A 47 -4.535 -6.910 2.787 1.00 0.00 C ATOM 667 C ARG A 47 -5.295 -5.679 2.302 1.00 0.00 C ATOM 668 O ARG A 47 -5.051 -4.565 2.764 1.00 0.00 O ATOM 669 CB ARG A 47 -4.789 -7.124 4.280 1.00 0.00 C ATOM 670 CG ARG A 47 -4.239 -8.438 4.810 1.00 0.00 C ATOM 671 CD ARG A 47 -3.849 -8.329 6.275 1.00 0.00 C ATOM 672 NE ARG A 47 -4.971 -8.619 7.164 1.00 0.00 N ATOM 673 CZ ARG A 47 -5.475 -9.836 7.337 1.00 0.00 C ATOM 674 NH1 ARG A 47 -4.959 -10.870 6.687 1.00 0.00 N ATOM 675 NH2 ARG A 47 -6.498 -10.020 8.163 1.00 0.00 N ATOM 0 H ARG A 47 -2.691 -5.919 2.903 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.896 -7.779 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.341 -6.301 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.862 -7.088 4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.987 -9.222 4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.370 -8.733 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.032 -9.020 6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.477 -7.325 6.477 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.390 -7.845 7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.173 -10.732 6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.348 -11.803 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.897 -9.227 8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.885 -10.954 8.296 1.00 0.00 H new ATOM 689 N MET A 48 -6.217 -5.889 1.367 1.00 0.00 N ATOM 690 CA MET A 48 -7.013 -4.797 0.820 1.00 0.00 C ATOM 691 C MET A 48 -8.470 -4.915 1.255 1.00 0.00 C ATOM 692 O MET A 48 -9.223 -5.728 0.719 1.00 0.00 O ATOM 693 CB MET A 48 -6.923 -4.787 -0.707 1.00 0.00 C ATOM 694 CG MET A 48 -5.626 -4.196 -1.235 1.00 0.00 C ATOM 695 SD MET A 48 -5.749 -3.679 -2.958 1.00 0.00 S ATOM 696 CE MET A 48 -4.210 -2.784 -3.154 1.00 0.00 C ATOM 0 H MET A 48 -6.431 -6.805 0.973 1.00 0.00 H new ATOM 0 HA MET A 48 -6.612 -3.860 1.206 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.024 -5.808 -1.076 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.762 -4.219 -1.109 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.345 -3.340 -0.622 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.829 -4.933 -1.137 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.340 -1.994 -3.894 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.922 -2.343 -2.200 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.431 -3.469 -3.487 1.00 0.00 H new ATOM 706 N ASN A 49 -8.861 -4.100 2.229 1.00 0.00 N ATOM 707 CA ASN A 49 -10.229 -4.115 2.735 1.00 0.00 C ATOM 708 C ASN A 49 -11.214 -3.677 1.655 1.00 0.00 C ATOM 709 O ASN A 49 -10.852 -2.950 0.729 1.00 0.00 O ATOM 710 CB ASN A 49 -10.353 -3.201 3.956 1.00 0.00 C ATOM 711 CG ASN A 49 -9.175 -3.337 4.902 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.632 -4.427 5.082 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.776 -2.227 5.512 1.00 0.00 N ATOM 0 H ASN A 49 -8.250 -3.421 2.684 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.470 -5.137 3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.432 -2.166 3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.274 -3.436 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.989 -2.256 6.160 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.256 -1.345 5.332 1.00 0.00 H new ATOM 720 N ILE A 50 -12.459 -4.123 1.782 1.00 0.00 N ATOM 721 CA ILE A 50 -13.496 -3.776 0.818 1.00 0.00 C ATOM 722 C ILE A 50 -13.844 -2.294 0.896 1.00 0.00 C ATOM 723 O ILE A 50 -13.978 -1.622 -0.126 1.00 0.00 O ATOM 724 CB ILE A 50 -14.774 -4.605 1.043 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.500 -6.087 0.779 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.897 -4.101 0.149 1.00 0.00 C ATOM 727 CD1 ILE A 50 -13.903 -6.812 1.965 1.00 0.00 C ATOM 0 H ILE A 50 -12.774 -4.725 2.543 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.097 -4.002 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.084 -4.492 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.432 -6.576 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.823 -6.177 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.793 -4.697 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.106 -3.057 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.597 -4.188 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.735 -7.857 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.954 -6.348 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -14.589 -6.753 2.810 1.00 0.00 H new ATOM 739 N ASN A 51 -13.989 -1.789 2.117 1.00 0.00 N ATOM 740 CA ASN A 51 -14.321 -0.385 2.330 1.00 0.00 C ATOM 741 C ASN A 51 -13.548 0.509 1.365 1.00 0.00 C ATOM 742 O ASN A 51 -14.136 1.305 0.634 1.00 0.00 O ATOM 743 CB ASN A 51 -14.017 0.020 3.773 1.00 0.00 C ATOM 744 CG ASN A 51 -14.288 1.490 4.031 1.00 0.00 C ATOM 745 OD1 ASN A 51 -15.438 1.906 4.169 1.00 0.00 O ATOM 746 ND2 ASN A 51 -13.226 2.285 4.096 1.00 0.00 N ATOM 0 H ASN A 51 -13.882 -2.331 2.974 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.387 -0.257 2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.621 -0.582 4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.973 -0.199 3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.346 3.283 4.266 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.290 1.897 3.976 1.00 0.00 H new ATOM 753 N GLY A 52 -12.226 0.370 1.368 1.00 0.00 N ATOM 754 CA GLY A 52 -11.394 1.170 0.489 1.00 0.00 C ATOM 755 C GLY A 52 -9.963 1.273 0.980 1.00 0.00 C ATOM 756 O GLY A 52 -9.022 1.073 0.213 1.00 0.00 O ATOM 0 H GLY A 52 -11.716 -0.283 1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.402 0.734 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.818 2.170 0.403 1.00 0.00 H new ATOM 760 N GLN A 53 -9.800 1.587 2.261 1.00 0.00 N ATOM 761 CA GLN A 53 -8.473 1.718 2.852 1.00 0.00 C ATOM 762 C GLN A 53 -7.809 0.354 3.006 1.00 0.00 C ATOM 763 O GLN A 53 -8.401 -0.578 3.549 1.00 0.00 O ATOM 764 CB GLN A 53 -8.564 2.411 4.213 1.00 0.00 C ATOM 765 CG GLN A 53 -9.167 1.537 5.301 1.00 0.00 C ATOM 766 CD GLN A 53 -9.541 2.325 6.541 1.00 0.00 C ATOM 767 OE1 GLN A 53 -9.216 3.506 6.662 1.00 0.00 O ATOM 768 NE2 GLN A 53 -10.228 1.673 7.472 1.00 0.00 N ATOM 0 H GLN A 53 -10.569 1.755 2.909 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.863 2.325 2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.566 2.723 4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.163 3.316 4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.054 1.038 4.911 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.455 0.757 5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.476 0.694 7.330 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.507 2.151 8.329 1.00 0.00 H new ATOM 777 N TRP A 54 -6.576 0.245 2.525 1.00 0.00 N ATOM 778 CA TRP A 54 -5.831 -1.006 2.609 1.00 0.00 C ATOM 779 C TRP A 54 -4.776 -0.939 3.707 1.00 0.00 C ATOM 780 O TRP A 54 -4.550 0.117 4.298 1.00 0.00 O ATOM 781 CB TRP A 54 -5.168 -1.320 1.266 1.00 0.00 C ATOM 782 CG TRP A 54 -6.004 -0.931 0.085 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.346 -1.133 -0.071 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.554 -0.275 -1.105 1.00 0.00 C ATOM 785 NE1 TRP A 54 -7.757 -0.642 -1.287 1.00 0.00 N ATOM 786 CE2 TRP A 54 -6.677 -0.110 -1.940 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.313 0.190 -1.547 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -6.592 0.499 -3.189 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.230 0.795 -2.787 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.364 0.946 -3.596 1.00 0.00 C ATOM 0 H TRP A 54 -6.071 1.007 2.073 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.534 -1.802 2.855 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.211 -0.801 1.211 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.955 -2.388 1.215 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.989 -1.609 0.655 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -8.712 -0.669 -1.645 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.433 0.079 -0.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.464 0.615 -3.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.275 1.157 -3.138 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.267 1.424 -4.559 1.00 0.00 H new ATOM 801 N GLU A 55 -4.133 -2.071 3.976 1.00 0.00 N ATOM 802 CA GLU A 55 -3.102 -2.138 5.005 1.00 0.00 C ATOM 803 C GLU A 55 -1.743 -2.465 4.393 1.00 0.00 C ATOM 804 O GLU A 55 -1.530 -3.561 3.876 1.00 0.00 O ATOM 805 CB GLU A 55 -3.467 -3.190 6.055 1.00 0.00 C ATOM 806 CG GLU A 55 -2.884 -2.905 7.429 1.00 0.00 C ATOM 807 CD GLU A 55 -3.330 -3.911 8.472 1.00 0.00 C ATOM 808 OE1 GLU A 55 -3.223 -5.127 8.207 1.00 0.00 O ATOM 809 OE2 GLU A 55 -3.787 -3.483 9.553 1.00 0.00 O ATOM 0 H GLU A 55 -4.308 -2.954 3.496 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.039 -1.161 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.552 -3.250 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.118 -4.166 5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.796 -2.911 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.180 -1.905 7.745 1.00 0.00 H new ATOM 816 N GLY A 56 -0.826 -1.504 4.454 1.00 0.00 N ATOM 817 CA GLY A 56 0.500 -1.707 3.902 1.00 0.00 C ATOM 818 C GLY A 56 1.594 -1.193 4.817 1.00 0.00 C ATOM 819 O GLY A 56 1.335 -0.390 5.713 1.00 0.00 O ATOM 0 H GLY A 56 -0.978 -0.588 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.655 -2.770 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.570 -1.203 2.938 1.00 0.00 H new ATOM 823 N GLU A 57 2.819 -1.657 4.592 1.00 0.00 N ATOM 824 CA GLU A 57 3.955 -1.240 5.405 1.00 0.00 C ATOM 825 C GLU A 57 4.924 -0.388 4.591 1.00 0.00 C ATOM 826 O GLU A 57 5.169 -0.659 3.415 1.00 0.00 O ATOM 827 CB GLU A 57 4.683 -2.462 5.969 1.00 0.00 C ATOM 828 CG GLU A 57 5.809 -2.111 6.927 1.00 0.00 C ATOM 829 CD GLU A 57 6.730 -3.285 7.200 1.00 0.00 C ATOM 830 OE1 GLU A 57 6.233 -4.428 7.262 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.949 -3.059 7.350 1.00 0.00 O ATOM 0 H GLU A 57 3.050 -2.322 3.854 1.00 0.00 H new ATOM 0 HA GLU A 57 3.576 -0.638 6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.963 -3.097 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.089 -3.046 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.390 -1.287 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.385 -1.760 7.868 1.00 0.00 H new ATOM 838 N VAL A 58 5.472 0.644 5.224 1.00 0.00 N ATOM 839 CA VAL A 58 6.415 1.536 4.559 1.00 0.00 C ATOM 840 C VAL A 58 7.398 2.138 5.557 1.00 0.00 C ATOM 841 O VAL A 58 7.006 2.610 6.623 1.00 0.00 O ATOM 842 CB VAL A 58 5.686 2.675 3.823 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.687 3.644 3.212 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.758 2.112 2.757 1.00 0.00 C ATOM 0 H VAL A 58 5.279 0.883 6.197 1.00 0.00 H new ATOM 0 HA VAL A 58 6.961 0.935 3.832 1.00 0.00 H new ATOM 0 HB VAL A 58 5.082 3.223 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.153 4.442 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.306 4.072 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.320 3.113 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.251 2.931 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.339 1.539 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.018 1.462 3.225 1.00 0.00 H new ATOM 854 N ASN A 59 8.679 2.117 5.202 1.00 0.00 N ATOM 855 CA ASN A 59 9.720 2.661 6.067 1.00 0.00 C ATOM 856 C ASN A 59 9.494 2.247 7.517 1.00 0.00 C ATOM 857 O ASN A 59 9.672 3.045 8.437 1.00 0.00 O ATOM 858 CB ASN A 59 9.755 4.187 5.959 1.00 0.00 C ATOM 859 CG ASN A 59 10.664 4.668 4.845 1.00 0.00 C ATOM 860 OD1 ASN A 59 11.840 4.956 5.068 1.00 0.00 O ATOM 861 ND2 ASN A 59 10.122 4.757 3.636 1.00 0.00 N ATOM 0 H ASN A 59 9.021 1.730 4.322 1.00 0.00 H new ATOM 0 HA ASN A 59 10.678 2.258 5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.745 4.559 5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.092 4.608 6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.685 5.074 2.847 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.143 4.508 3.497 1.00 0.00 H new ATOM 868 N GLY A 60 9.102 0.992 7.715 1.00 0.00 N ATOM 869 CA GLY A 60 8.858 0.493 9.056 1.00 0.00 C ATOM 870 C GLY A 60 7.641 1.129 9.699 1.00 0.00 C ATOM 871 O GLY A 60 7.671 1.492 10.875 1.00 0.00 O ATOM 0 H GLY A 60 8.949 0.312 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.722 -0.588 9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.734 0.683 9.676 1.00 0.00 H new ATOM 875 N ARG A 61 6.569 1.265 8.926 1.00 0.00 N ATOM 876 CA ARG A 61 5.337 1.864 9.426 1.00 0.00 C ATOM 877 C ARG A 61 4.119 1.265 8.729 1.00 0.00 C ATOM 878 O ARG A 61 4.057 1.212 7.500 1.00 0.00 O ATOM 879 CB ARG A 61 5.362 3.379 9.221 1.00 0.00 C ATOM 880 CG ARG A 61 6.487 4.077 9.968 1.00 0.00 C ATOM 881 CD ARG A 61 6.718 5.484 9.440 1.00 0.00 C ATOM 882 NE ARG A 61 5.783 6.446 10.016 1.00 0.00 N ATOM 883 CZ ARG A 61 5.737 7.727 9.666 1.00 0.00 C ATOM 884 NH1 ARG A 61 6.569 8.196 8.747 1.00 0.00 N ATOM 885 NH2 ARG A 61 4.857 8.540 10.236 1.00 0.00 N ATOM 0 H ARG A 61 6.528 0.969 7.951 1.00 0.00 H new ATOM 0 HA ARG A 61 5.265 1.650 10.492 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.458 3.591 8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.409 3.797 9.545 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.247 4.121 11.030 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.404 3.496 9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.739 5.792 9.665 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.616 5.485 8.355 1.00 0.00 H new ATOM 0 HE ARG A 61 5.129 6.117 10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.246 7.573 8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.532 9.180 8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.215 8.182 10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.822 9.523 9.967 1.00 0.00 H new ATOM 899 N LYS A 62 3.152 0.815 9.521 1.00 0.00 N ATOM 900 CA LYS A 62 1.935 0.220 8.982 1.00 0.00 C ATOM 901 C LYS A 62 0.711 1.049 9.360 1.00 0.00 C ATOM 902 O LYS A 62 0.408 1.222 10.539 1.00 0.00 O ATOM 903 CB LYS A 62 1.773 -1.213 9.494 1.00 0.00 C ATOM 904 CG LYS A 62 2.906 -2.137 9.085 1.00 0.00 C ATOM 905 CD LYS A 62 2.555 -3.594 9.334 1.00 0.00 C ATOM 906 CE LYS A 62 1.785 -4.189 8.165 1.00 0.00 C ATOM 907 NZ LYS A 62 0.360 -3.754 8.160 1.00 0.00 N ATOM 0 H LYS A 62 3.188 0.851 10.540 1.00 0.00 H new ATOM 0 HA LYS A 62 2.019 0.203 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.704 -1.196 10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.832 -1.619 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.132 -1.992 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.807 -1.878 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.468 -4.166 9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.959 -3.676 10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.259 -3.892 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.832 -5.277 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.235 -4.518 7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.061 -3.534 9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.258 -2.907 7.566 1.00 0.00 H new ATOM 921 N GLY A 63 0.011 1.557 8.350 1.00 0.00 N ATOM 922 CA GLY A 63 -1.172 2.359 8.598 1.00 0.00 C ATOM 923 C GLY A 63 -2.169 2.290 7.457 1.00 0.00 C ATOM 924 O GLY A 63 -1.866 1.755 6.390 1.00 0.00 O ATOM 0 H GLY A 63 0.242 1.427 7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.651 2.020 9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.877 3.396 8.757 1.00 0.00 H new ATOM 928 N LEU A 64 -3.361 2.830 7.683 1.00 0.00 N ATOM 929 CA LEU A 64 -4.407 2.827 6.666 1.00 0.00 C ATOM 930 C LEU A 64 -4.273 4.033 5.742 1.00 0.00 C ATOM 931 O LEU A 64 -4.324 5.179 6.189 1.00 0.00 O ATOM 932 CB LEU A 64 -5.787 2.826 7.326 1.00 0.00 C ATOM 933 CG LEU A 64 -6.085 1.652 8.259 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.435 1.835 8.934 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.044 0.338 7.492 1.00 0.00 C ATOM 0 H LEU A 64 -3.628 3.275 8.561 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.296 1.922 6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.897 3.751 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.543 2.841 6.541 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.317 1.623 9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.629 0.990 9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.429 2.756 9.517 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.216 1.891 8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.258 -0.487 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.790 0.357 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.054 0.202 7.057 1.00 0.00 H new ATOM 947 N PHE A 65 -4.104 3.767 4.451 1.00 0.00 N ATOM 948 CA PHE A 65 -3.964 4.830 3.463 1.00 0.00 C ATOM 949 C PHE A 65 -5.003 4.684 2.355 1.00 0.00 C ATOM 950 O PHE A 65 -5.367 3.579 1.953 1.00 0.00 O ATOM 951 CB PHE A 65 -2.556 4.816 2.863 1.00 0.00 C ATOM 952 CG PHE A 65 -2.197 3.513 2.209 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.661 2.474 2.952 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.394 3.327 0.850 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.329 1.273 2.353 1.00 0.00 C ATOM 956 CE2 PHE A 65 -2.065 2.129 0.246 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.530 1.101 0.998 1.00 0.00 C ATOM 0 H PHE A 65 -4.061 2.824 4.065 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.127 5.783 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.475 5.617 2.128 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.832 5.030 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.501 2.604 4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.809 4.128 0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.913 0.471 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.226 1.996 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.270 0.165 0.527 1.00 0.00 H new ATOM 967 N PRO A 66 -5.492 5.825 1.849 1.00 0.00 N ATOM 968 CA PRO A 66 -6.496 5.852 0.781 1.00 0.00 C ATOM 969 C PRO A 66 -5.931 5.386 -0.557 1.00 0.00 C ATOM 970 O PRO A 66 -4.716 5.360 -0.754 1.00 0.00 O ATOM 971 CB PRO A 66 -6.898 7.327 0.707 1.00 0.00 C ATOM 972 CG PRO A 66 -5.717 8.067 1.234 1.00 0.00 C ATOM 973 CD PRO A 66 -5.104 7.179 2.280 1.00 0.00 C ATOM 0 HA PRO A 66 -7.329 5.180 0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.127 7.624 -0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.788 7.525 1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.004 8.282 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.015 9.024 1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.021 7.293 2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.485 7.408 3.275 1.00 0.00 H new ATOM 981 N PHE A 67 -6.820 5.020 -1.474 1.00 0.00 N ATOM 982 CA PHE A 67 -6.409 4.555 -2.794 1.00 0.00 C ATOM 983 C PHE A 67 -6.264 5.726 -3.762 1.00 0.00 C ATOM 984 O PHE A 67 -5.412 5.709 -4.651 1.00 0.00 O ATOM 985 CB PHE A 67 -7.423 3.549 -3.342 1.00 0.00 C ATOM 986 CG PHE A 67 -8.814 4.104 -3.463 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.649 4.165 -2.359 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.286 4.565 -4.682 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.928 4.676 -2.467 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.564 5.078 -4.796 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.387 5.132 -3.688 1.00 0.00 C ATOM 0 H PHE A 67 -7.829 5.036 -1.328 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.440 4.066 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.090 3.207 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.444 2.675 -2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.296 3.809 -1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.648 4.523 -5.552 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.568 4.719 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.919 5.437 -5.751 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.387 5.530 -3.776 1.00 0.00 H new ATOM 1001 N THR A 68 -7.103 6.742 -3.583 1.00 0.00 N ATOM 1002 CA THR A 68 -7.070 7.920 -4.441 1.00 0.00 C ATOM 1003 C THR A 68 -5.716 8.617 -4.365 1.00 0.00 C ATOM 1004 O THR A 68 -5.225 9.150 -5.361 1.00 0.00 O ATOM 1005 CB THR A 68 -8.174 8.924 -4.058 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.156 9.157 -2.646 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.542 8.408 -4.475 1.00 0.00 C ATOM 0 H THR A 68 -7.813 6.772 -2.852 1.00 0.00 H new ATOM 0 HA THR A 68 -7.241 7.574 -5.461 1.00 0.00 H new ATOM 0 HB THR A 68 -7.981 9.860 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.313 9.590 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.306 9.133 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.561 8.260 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.741 7.460 -3.975 1.00 0.00 H new ATOM 1015 N HIS A 69 -5.117 8.609 -3.179 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.818 9.240 -2.975 1.00 0.00 C ATOM 1017 C HIS A 69 -2.718 8.466 -3.695 1.00 0.00 C ATOM 1018 O HIS A 69 -1.772 9.053 -4.220 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.500 9.330 -1.482 1.00 0.00 C ATOM 1020 CG HIS A 69 -4.359 10.310 -0.744 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -5.720 10.417 -0.944 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -4.045 11.230 0.198 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -6.205 11.362 -0.158 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -5.209 11.870 0.546 1.00 0.00 N ATOM 0 H HIS A 69 -5.510 8.173 -2.345 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.862 10.246 -3.391 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.621 8.344 -1.033 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.454 9.611 -1.358 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.062 11.424 0.601 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.239 11.667 -0.101 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.291 12.617 1.236 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.848 7.143 -3.716 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.866 6.288 -4.372 1.00 0.00 C ATOM 1035 C VAL A 70 -2.347 5.859 -5.754 1.00 0.00 C ATOM 1036 O VAL A 70 -3.516 6.033 -6.099 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.566 5.032 -3.533 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.976 5.418 -2.185 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.825 4.198 -3.353 1.00 0.00 C ATOM 0 H VAL A 70 -3.624 6.640 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.953 6.875 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.831 4.429 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.771 4.517 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.049 5.970 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.685 6.044 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.594 3.315 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.584 4.791 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.200 3.890 -4.329 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.437 5.298 -6.543 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.766 4.842 -7.888 1.00 0.00 C ATOM 1051 C LYS A 71 -1.143 3.478 -8.168 1.00 0.00 C ATOM 1052 O LYS A 71 0.066 3.297 -8.025 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.282 5.858 -8.926 1.00 0.00 C ATOM 1054 CG LYS A 71 -1.731 5.541 -10.342 1.00 0.00 C ATOM 1055 CD LYS A 71 -0.783 6.131 -11.372 1.00 0.00 C ATOM 1056 CE LYS A 71 -0.985 7.631 -11.522 1.00 0.00 C ATOM 1057 NZ LYS A 71 0.256 8.316 -11.978 1.00 0.00 N ATOM 0 H LYS A 71 -0.465 5.148 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.850 4.748 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.647 6.848 -8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.193 5.901 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.786 4.460 -10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.735 5.934 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.247 5.929 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.941 5.644 -12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.787 7.820 -12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.302 8.052 -10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.076 9.336 -12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.015 8.158 -11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.545 7.933 -12.901 1.00 0.00 H new ATOM 1071 N ILE A 72 -1.977 2.524 -8.568 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.507 1.177 -8.870 1.00 0.00 C ATOM 1073 C ILE A 72 -0.618 1.170 -10.109 1.00 0.00 C ATOM 1074 O ILE A 72 -1.051 1.546 -11.199 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.682 0.207 -9.089 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.601 0.200 -7.866 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.165 -1.195 -9.378 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.928 -0.299 -6.607 1.00 0.00 C ATOM 0 H ILE A 72 -2.981 2.658 -8.690 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.928 0.844 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.258 0.546 -9.950 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.971 1.211 -7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.468 -0.426 -8.077 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.008 -1.869 -9.531 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.547 -1.177 -10.276 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.569 -1.544 -8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.639 -0.276 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.582 -1.321 -6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.077 0.340 -6.371 1.00 0.00 H new ATOM 1090 N PHE A 73 0.627 0.740 -9.935 1.00 0.00 N ATOM 1091 CA PHE A 73 1.578 0.683 -11.040 1.00 0.00 C ATOM 1092 C PHE A 73 2.248 -0.686 -11.110 1.00 0.00 C ATOM 1093 O PHE A 73 2.660 -1.241 -10.091 1.00 0.00 O ATOM 1094 CB PHE A 73 2.638 1.775 -10.885 1.00 0.00 C ATOM 1095 CG PHE A 73 3.811 1.357 -10.045 1.00 0.00 C ATOM 1096 CD1 PHE A 73 4.857 0.640 -10.602 1.00 0.00 C ATOM 1097 CD2 PHE A 73 3.867 1.683 -8.700 1.00 0.00 C ATOM 1098 CE1 PHE A 73 5.938 0.254 -9.831 1.00 0.00 C ATOM 1099 CE2 PHE A 73 4.945 1.299 -7.924 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.982 0.585 -8.491 1.00 0.00 C ATOM 0 H PHE A 73 1.001 0.426 -9.040 1.00 0.00 H new ATOM 0 HA PHE A 73 1.030 0.848 -11.968 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.994 2.067 -11.873 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.178 2.656 -10.439 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.828 0.380 -11.650 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.060 2.243 -8.252 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.747 -0.306 -10.276 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.976 1.557 -6.876 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.826 0.286 -7.887 1.00 0.00 H new ATOM 1110 N ASP A 74 2.353 -1.225 -12.320 1.00 0.00 N ATOM 1111 CA ASP A 74 2.974 -2.529 -12.525 1.00 0.00 C ATOM 1112 C ASP A 74 4.458 -2.486 -12.172 1.00 0.00 C ATOM 1113 O ASP A 74 5.190 -1.580 -12.572 1.00 0.00 O ATOM 1114 CB ASP A 74 2.795 -2.980 -13.975 1.00 0.00 C ATOM 1115 CG ASP A 74 1.396 -2.713 -14.496 1.00 0.00 C ATOM 1116 OD1 ASP A 74 0.443 -3.341 -13.987 1.00 0.00 O ATOM 1117 OD2 ASP A 74 1.254 -1.876 -15.411 1.00 0.00 O ATOM 0 H ASP A 74 2.016 -0.779 -13.173 1.00 0.00 H new ATOM 0 HA ASP A 74 2.483 -3.245 -11.866 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.519 -2.463 -14.605 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.010 -4.046 -14.050 1.00 0.00 H new ATOM 1122 N PRO A 75 4.913 -3.487 -11.404 1.00 0.00 N ATOM 1123 CA PRO A 75 6.313 -3.585 -10.980 1.00 0.00 C ATOM 1124 C PRO A 75 7.247 -3.918 -12.138 1.00 0.00 C ATOM 1125 O PRO A 75 8.349 -3.379 -12.232 1.00 0.00 O ATOM 1126 CB PRO A 75 6.295 -4.728 -9.962 1.00 0.00 C ATOM 1127 CG PRO A 75 5.118 -5.557 -10.343 1.00 0.00 C ATOM 1128 CD PRO A 75 4.096 -4.599 -10.891 1.00 0.00 C ATOM 0 HA PRO A 75 6.684 -2.643 -10.577 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.217 -5.308 -10.002 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.200 -4.350 -8.944 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.392 -6.304 -11.088 1.00 0.00 H new ATOM 0 HG3 PRO A 75 4.725 -6.096 -9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.499 -5.056 -11.680 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.403 -4.266 -10.119 1.00 0.00 H new ATOM 1136 N GLN A 76 6.799 -4.809 -13.017 1.00 0.00 N ATOM 1137 CA GLN A 76 7.596 -5.213 -14.168 1.00 0.00 C ATOM 1138 C GLN A 76 9.080 -5.247 -13.818 1.00 0.00 C ATOM 1139 O GLN A 76 9.926 -4.852 -14.620 1.00 0.00 O ATOM 1140 CB GLN A 76 7.358 -4.260 -15.340 1.00 0.00 C ATOM 1141 CG GLN A 76 5.954 -4.344 -15.917 1.00 0.00 C ATOM 1142 CD GLN A 76 5.748 -3.408 -17.092 1.00 0.00 C ATOM 1143 OE1 GLN A 76 6.138 -3.714 -18.219 1.00 0.00 O ATOM 1144 NE2 GLN A 76 5.133 -2.260 -16.835 1.00 0.00 N ATOM 0 H GLN A 76 5.888 -5.264 -12.953 1.00 0.00 H new ATOM 0 HA GLN A 76 7.287 -6.217 -14.457 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.546 -3.238 -15.010 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.079 -4.479 -16.128 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.757 -5.368 -16.234 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.230 -4.107 -15.137 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.826 -2.047 -15.886 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.967 -1.591 -17.587 1.00 0.00 H new ATOM 1153 N ASN A 77 9.389 -5.720 -12.615 1.00 0.00 N ATOM 1154 CA ASN A 77 10.772 -5.804 -12.159 1.00 0.00 C ATOM 1155 C ASN A 77 11.299 -7.230 -12.278 1.00 0.00 C ATOM 1156 O ASN A 77 10.633 -8.197 -11.906 1.00 0.00 O ATOM 1157 CB ASN A 77 10.882 -5.327 -10.709 1.00 0.00 C ATOM 1158 CG ASN A 77 10.153 -6.240 -9.743 1.00 0.00 C ATOM 1159 OD1 ASN A 77 9.046 -6.701 -10.022 1.00 0.00 O ATOM 1160 ND2 ASN A 77 10.772 -6.506 -8.599 1.00 0.00 N ATOM 0 H ASN A 77 8.701 -6.051 -11.939 1.00 0.00 H new ATOM 0 HA ASN A 77 11.378 -5.158 -12.795 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.933 -5.270 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.475 -4.319 -10.629 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.330 -7.114 -7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.689 -6.102 -8.409 1.00 0.00 H new ATOM 1167 N PRO A 78 12.523 -7.367 -12.808 1.00 0.00 N ATOM 1168 CA PRO A 78 13.167 -8.671 -12.987 1.00 0.00 C ATOM 1169 C PRO A 78 13.564 -9.309 -11.660 1.00 0.00 C ATOM 1170 O PRO A 78 13.979 -10.468 -11.617 1.00 0.00 O ATOM 1171 CB PRO A 78 14.412 -8.342 -13.815 1.00 0.00 C ATOM 1172 CG PRO A 78 14.706 -6.915 -13.505 1.00 0.00 C ATOM 1173 CD PRO A 78 13.373 -6.258 -13.273 1.00 0.00 C ATOM 0 HA PRO A 78 12.501 -9.392 -13.461 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.249 -8.986 -13.545 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.229 -8.486 -14.880 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.341 -6.830 -12.623 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.238 -6.438 -14.328 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.440 -5.464 -12.529 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.983 -5.808 -14.186 1.00 0.00 H new ATOM 1181 N ASP A 79 13.433 -8.547 -10.580 1.00 0.00 N ATOM 1182 CA ASP A 79 13.777 -9.038 -9.251 1.00 0.00 C ATOM 1183 C ASP A 79 12.598 -9.774 -8.622 1.00 0.00 C ATOM 1184 O ASP A 79 11.457 -9.320 -8.704 1.00 0.00 O ATOM 1185 CB ASP A 79 14.210 -7.880 -8.351 1.00 0.00 C ATOM 1186 CG ASP A 79 15.625 -7.420 -8.641 1.00 0.00 C ATOM 1187 OD1 ASP A 79 16.566 -7.987 -8.047 1.00 0.00 O ATOM 1188 OD2 ASP A 79 15.792 -6.492 -9.460 1.00 0.00 O ATOM 0 H ASP A 79 13.091 -7.586 -10.599 1.00 0.00 H new ATOM 0 HA ASP A 79 14.607 -9.737 -9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.524 -7.043 -8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.138 -8.188 -7.308 1.00 0.00 H new ATOM 1193 N GLU A 80 12.882 -10.912 -7.996 1.00 0.00 N ATOM 1194 CA GLU A 80 11.844 -11.710 -7.355 1.00 0.00 C ATOM 1195 C GLU A 80 12.368 -12.359 -6.077 1.00 0.00 C ATOM 1196 O GLU A 80 13.157 -13.301 -6.125 1.00 0.00 O ATOM 1197 CB GLU A 80 11.333 -12.787 -8.314 1.00 0.00 C ATOM 1198 CG GLU A 80 10.161 -12.335 -9.169 1.00 0.00 C ATOM 1199 CD GLU A 80 8.856 -12.299 -8.398 1.00 0.00 C ATOM 1200 OE1 GLU A 80 8.185 -13.349 -8.316 1.00 0.00 O ATOM 1201 OE2 GLU A 80 8.506 -11.220 -7.876 1.00 0.00 O ATOM 0 H GLU A 80 13.822 -11.301 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 80 11.020 -11.046 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.149 -13.097 -8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.035 -13.663 -7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.370 -11.343 -9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.057 -13.007 -10.021 1.00 0.00 H new ATOM 1208 N ASN A 81 11.922 -11.846 -4.935 1.00 0.00 N ATOM 1209 CA ASN A 81 12.346 -12.373 -3.643 1.00 0.00 C ATOM 1210 C ASN A 81 11.224 -12.262 -2.615 1.00 0.00 C ATOM 1211 O ASN A 81 10.377 -11.374 -2.701 1.00 0.00 O ATOM 1212 CB ASN A 81 13.585 -11.626 -3.145 1.00 0.00 C ATOM 1213 CG ASN A 81 13.855 -11.870 -1.673 1.00 0.00 C ATOM 1214 OD1 ASN A 81 13.340 -11.160 -0.810 1.00 0.00 O ATOM 1215 ND2 ASN A 81 14.666 -12.880 -1.380 1.00 0.00 N ATOM 0 H ASN A 81 11.267 -11.066 -4.878 1.00 0.00 H new ATOM 0 HA ASN A 81 12.593 -13.427 -3.772 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.452 -11.938 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.454 -10.557 -3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 81 14.884 -13.093 -0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.071 -13.443 -2.128 1.00 0.00 H new ATOM 1222 N GLU A 82 11.226 -13.170 -1.644 1.00 0.00 N ATOM 1223 CA GLU A 82 10.208 -13.173 -0.600 1.00 0.00 C ATOM 1224 C GLU A 82 8.816 -13.356 -1.198 1.00 0.00 C ATOM 1225 O GLU A 82 7.898 -12.589 -0.906 1.00 0.00 O ATOM 1226 CB GLU A 82 10.264 -11.871 0.202 1.00 0.00 C ATOM 1227 CG GLU A 82 9.509 -11.934 1.519 1.00 0.00 C ATOM 1228 CD GLU A 82 10.311 -12.601 2.620 1.00 0.00 C ATOM 1229 OE1 GLU A 82 11.516 -12.296 2.742 1.00 0.00 O ATOM 1230 OE2 GLU A 82 9.735 -13.426 3.358 1.00 0.00 O ATOM 0 H GLU A 82 11.920 -13.912 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 82 10.411 -14.011 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.306 -11.622 0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.854 -11.063 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.243 -10.924 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.576 -12.479 1.373 1.00 0.00 H new ATOM 1237 N SER A 83 8.668 -14.377 -2.036 1.00 0.00 N ATOM 1238 CA SER A 83 7.390 -14.658 -2.679 1.00 0.00 C ATOM 1239 C SER A 83 6.851 -16.017 -2.243 1.00 0.00 C ATOM 1240 O SER A 83 5.643 -16.201 -2.098 1.00 0.00 O ATOM 1241 CB SER A 83 7.542 -14.622 -4.201 1.00 0.00 C ATOM 1242 OG SER A 83 7.895 -15.897 -4.709 1.00 0.00 O ATOM 0 H SER A 83 9.417 -15.023 -2.285 1.00 0.00 H new ATOM 0 HA SER A 83 6.680 -13.889 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.608 -14.292 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.305 -13.894 -4.476 1.00 0.00 H new ATOM 0 HG SER A 83 7.984 -15.848 -5.684 1.00 0.00 H new ATOM 1248 N GLY A 84 7.757 -16.968 -2.035 1.00 0.00 N ATOM 1249 CA GLY A 84 7.354 -18.298 -1.618 1.00 0.00 C ATOM 1250 C GLY A 84 6.917 -19.164 -2.783 1.00 0.00 C ATOM 1251 O GLY A 84 6.542 -18.668 -3.845 1.00 0.00 O ATOM 0 H GLY A 84 8.763 -16.841 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.184 -18.781 -1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.536 -18.219 -0.902 1.00 0.00 H new ATOM 1255 N PRO A 85 6.965 -20.490 -2.590 1.00 0.00 N ATOM 1256 CA PRO A 85 6.576 -21.455 -3.623 1.00 0.00 C ATOM 1257 C PRO A 85 5.074 -21.449 -3.886 1.00 0.00 C ATOM 1258 O PRO A 85 4.272 -21.387 -2.954 1.00 0.00 O ATOM 1259 CB PRO A 85 7.010 -22.799 -3.034 1.00 0.00 C ATOM 1260 CG PRO A 85 7.008 -22.586 -1.560 1.00 0.00 C ATOM 1261 CD PRO A 85 7.402 -21.151 -1.349 1.00 0.00 C ATOM 0 HA PRO A 85 7.034 -21.228 -4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.324 -23.596 -3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.999 -23.087 -3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.023 -22.786 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 85 7.709 -23.260 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.913 -20.725 -0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.476 -21.048 -1.196 1.00 0.00 H new ATOM 1269 N SER A 86 4.700 -21.514 -5.160 1.00 0.00 N ATOM 1270 CA SER A 86 3.294 -21.512 -5.545 1.00 0.00 C ATOM 1271 C SER A 86 2.826 -22.921 -5.899 1.00 0.00 C ATOM 1272 O SER A 86 3.077 -23.411 -7.000 1.00 0.00 O ATOM 1273 CB SER A 86 3.069 -20.574 -6.732 1.00 0.00 C ATOM 1274 OG SER A 86 3.550 -19.271 -6.450 1.00 0.00 O ATOM 0 H SER A 86 5.351 -21.569 -5.943 1.00 0.00 H new ATOM 0 HA SER A 86 2.711 -21.157 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.575 -20.969 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.006 -20.530 -6.968 1.00 0.00 H new ATOM 0 HG SER A 86 3.719 -18.796 -7.290 1.00 0.00 H new ATOM 1280 N SER A 87 2.145 -23.566 -4.958 1.00 0.00 N ATOM 1281 CA SER A 87 1.644 -24.919 -5.168 1.00 0.00 C ATOM 1282 C SER A 87 0.697 -25.329 -4.045 1.00 0.00 C ATOM 1283 O SER A 87 0.760 -24.795 -2.938 1.00 0.00 O ATOM 1284 CB SER A 87 2.808 -25.908 -5.255 1.00 0.00 C ATOM 1285 OG SER A 87 3.335 -26.190 -3.970 1.00 0.00 O ATOM 0 H SER A 87 1.927 -23.173 -4.042 1.00 0.00 H new ATOM 0 HA SER A 87 1.092 -24.934 -6.108 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.470 -26.832 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.592 -25.497 -5.891 1.00 0.00 H new ATOM 0 HG SER A 87 4.076 -26.826 -4.053 1.00 0.00 H new ATOM 1291 N GLY A 88 -0.183 -26.282 -4.339 1.00 0.00 N ATOM 1292 CA GLY A 88 -1.132 -26.747 -3.345 1.00 0.00 C ATOM 1293 C GLY A 88 -1.923 -25.614 -2.722 1.00 0.00 C ATOM 1294 O GLY A 88 -3.067 -25.800 -2.309 1.00 0.00 O ATOM 0 H GLY A 88 -0.255 -26.740 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.820 -27.455 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.598 -27.286 -2.562 1.00 0.00 H new TER 1298 GLY A 88