USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 30 THR OG1 : rot -61:sc= 1.1 USER MOD Set 1.2: A 32 TYR OH : rot 180:sc= -1.54! USER MOD Set 2.1: A 14 SER OG : rot -134:sc= 0.901 USER MOD Set 2.2: A 113 ASN : amide:sc= 1.13 X(o=2,f=1.6) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 45:sc= 0.362 USER MOD Single : A 6 THR OG1 : rot 53:sc= 0.597 USER MOD Single : A 8 THR OG1 : rot -179:sc= -0.0213 USER MOD Single : A 10 SER OG : rot -148:sc= -0.921 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 106:sc= 1.1 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0392 K(o=-0.039,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= -1.33! C(o=-1.3!,f=-7.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00674 USER MOD Single : A 48 ASN : amide:sc= -1.63 K(o=-1.6,f=-7.9!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -91:sc= 0.176 USER MOD Single : A 56 THR OG1 : rot 23:sc= 0.166 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 62 SER OG : rot 30:sc= 0.323 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -64:sc= 1.27 USER MOD Single : A 81 THR OG1 : rot 118:sc= 1.17 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 111:sc= -1.08! USER MOD Single : A 90 THR OG1 : rot -43:sc= 0.153 USER MOD Single : A 94 GLN : amide:sc= -1.68! X(o=-1.7!,f=-1.3) USER MOD Single : A 98 SER OG : rot 180:sc= -0.13 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.313 5.336 16.133 1.00 0.00 N ATOM 2 CA ALA A 1 -16.830 4.188 15.353 1.00 0.00 C ATOM 3 C ALA A 1 -15.711 3.205 15.030 1.00 0.00 C ATOM 4 O ALA A 1 -14.629 3.603 14.594 1.00 0.00 O ATOM 5 CB ALA A 1 -17.488 4.669 14.069 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.092 5.993 16.342 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.901 4.993 17.024 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.582 5.830 15.581 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.576 3.676 15.960 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.862 3.812 13.509 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.317 5.334 14.312 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.757 5.207 13.465 1.00 0.00 H new ATOM 11 N ALA A 2 -15.974 1.925 15.244 1.00 0.00 N ATOM 12 CA ALA A 2 -14.993 0.888 14.969 1.00 0.00 C ATOM 13 C ALA A 2 -15.020 0.519 13.490 1.00 0.00 C ATOM 14 O ALA A 2 -16.082 0.221 12.936 1.00 0.00 O ATOM 15 CB ALA A 2 -15.257 -0.331 15.840 1.00 0.00 C ATOM 0 H ALA A 2 -16.862 1.579 15.608 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.999 1.267 15.208 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.515 -1.100 15.624 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.191 -0.049 16.891 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.254 -0.719 15.630 1.00 0.00 H new ATOM 21 N PRO A 3 -13.859 0.547 12.825 1.00 0.00 N ATOM 22 CA PRO A 3 -13.758 0.222 11.403 1.00 0.00 C ATOM 23 C PRO A 3 -13.861 -1.276 11.139 1.00 0.00 C ATOM 24 O PRO A 3 -13.997 -2.077 12.067 1.00 0.00 O ATOM 25 CB PRO A 3 -12.372 0.739 11.024 1.00 0.00 C ATOM 26 CG PRO A 3 -11.581 0.654 12.281 1.00 0.00 C ATOM 27 CD PRO A 3 -12.550 0.896 13.409 1.00 0.00 C ATOM 0 HA PRO A 3 -14.568 0.665 10.824 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.926 0.135 10.234 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.419 1.763 10.654 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.109 -0.324 12.378 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.783 1.396 12.289 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.320 0.276 14.275 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.524 1.933 13.744 1.00 0.00 H new ATOM 35 N THR A 4 -13.795 -1.644 9.869 1.00 0.00 N ATOM 36 CA THR A 4 -13.877 -3.037 9.465 1.00 0.00 C ATOM 37 C THR A 4 -12.896 -3.322 8.327 1.00 0.00 C ATOM 38 O THR A 4 -13.265 -3.321 7.152 1.00 0.00 O ATOM 39 CB THR A 4 -15.311 -3.398 9.029 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.064 -2.197 8.787 1.00 0.00 O ATOM 41 CG2 THR A 4 -16.008 -4.235 10.096 1.00 0.00 C ATOM 0 H THR A 4 -13.684 -0.990 9.095 1.00 0.00 H new ATOM 0 HA THR A 4 -13.611 -3.654 10.323 1.00 0.00 H new ATOM 0 HB THR A 4 -15.254 -3.984 8.112 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.519 -1.568 8.269 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.018 -4.477 9.766 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.449 -5.156 10.259 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.056 -3.671 11.027 1.00 0.00 H new ATOM 49 N ALA A 5 -11.638 -3.532 8.683 1.00 0.00 N ATOM 50 CA ALA A 5 -10.602 -3.803 7.697 1.00 0.00 C ATOM 51 C ALA A 5 -10.399 -5.299 7.501 1.00 0.00 C ATOM 52 O ALA A 5 -10.130 -6.032 8.455 1.00 0.00 O ATOM 53 CB ALA A 5 -9.297 -3.136 8.112 1.00 0.00 C ATOM 0 H ALA A 5 -11.309 -3.520 9.648 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.925 -3.386 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.529 -3.345 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.447 -2.059 8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.981 -3.526 9.079 1.00 0.00 H new ATOM 59 N THR A 6 -10.543 -5.746 6.263 1.00 0.00 N ATOM 60 CA THR A 6 -10.365 -7.146 5.929 1.00 0.00 C ATOM 61 C THR A 6 -9.352 -7.296 4.801 1.00 0.00 C ATOM 62 O THR A 6 -9.699 -7.201 3.622 1.00 0.00 O ATOM 63 CB THR A 6 -11.702 -7.791 5.511 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.696 -6.776 5.292 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.184 -8.768 6.575 1.00 0.00 C ATOM 0 H THR A 6 -10.784 -5.152 5.469 1.00 0.00 H new ATOM 0 HA THR A 6 -9.995 -7.657 6.818 1.00 0.00 H new ATOM 0 HB THR A 6 -11.542 -8.339 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.350 -6.110 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.129 -9.212 6.260 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.441 -9.554 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.328 -8.238 7.517 1.00 0.00 H new ATOM 73 N VAL A 7 -8.094 -7.504 5.158 1.00 0.00 N ATOM 74 CA VAL A 7 -7.048 -7.653 4.160 1.00 0.00 C ATOM 75 C VAL A 7 -6.413 -9.036 4.232 1.00 0.00 C ATOM 76 O VAL A 7 -6.368 -9.657 5.294 1.00 0.00 O ATOM 77 CB VAL A 7 -5.948 -6.576 4.312 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.533 -5.180 4.149 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.243 -6.700 5.657 1.00 0.00 C ATOM 0 H VAL A 7 -7.775 -7.573 6.124 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.525 -7.526 3.188 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.212 -6.738 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.742 -4.439 4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.982 -5.087 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.295 -5.014 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.475 -5.931 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.968 -6.574 6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.781 -7.684 5.736 1.00 0.00 H new ATOM 89 N THR A 8 -5.943 -9.516 3.092 1.00 0.00 N ATOM 90 CA THR A 8 -5.296 -10.816 3.011 1.00 0.00 C ATOM 91 C THR A 8 -3.802 -10.647 2.739 1.00 0.00 C ATOM 92 O THR A 8 -3.397 -10.387 1.605 1.00 0.00 O ATOM 93 CB THR A 8 -5.930 -11.682 1.905 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.362 -11.633 2.004 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.461 -13.127 2.008 1.00 0.00 C ATOM 0 H THR A 8 -5.998 -9.020 2.203 1.00 0.00 H new ATOM 0 HA THR A 8 -5.434 -11.320 3.968 1.00 0.00 H new ATOM 0 HB THR A 8 -5.616 -11.283 0.940 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.758 -12.197 1.307 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.923 -13.717 1.216 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.377 -13.166 1.904 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.747 -13.534 2.978 1.00 0.00 H new ATOM 103 N PRO A 9 -2.967 -10.782 3.784 1.00 0.00 N ATOM 104 CA PRO A 9 -1.519 -10.624 3.665 1.00 0.00 C ATOM 105 C PRO A 9 -0.831 -11.853 3.076 1.00 0.00 C ATOM 106 O PRO A 9 -1.038 -12.979 3.534 1.00 0.00 O ATOM 107 CB PRO A 9 -1.076 -10.404 5.111 1.00 0.00 C ATOM 108 CG PRO A 9 -2.078 -11.136 5.937 1.00 0.00 C ATOM 109 CD PRO A 9 -3.376 -11.102 5.169 1.00 0.00 C ATOM 0 HA PRO A 9 -1.255 -9.812 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.070 -10.789 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.058 -9.343 5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.759 -12.163 6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.193 -10.666 6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.895 -12.059 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.056 -10.349 5.568 1.00 0.00 H new ATOM 117 N SER A 10 -0.013 -11.626 2.059 1.00 0.00 N ATOM 118 CA SER A 10 0.721 -12.694 1.402 1.00 0.00 C ATOM 119 C SER A 10 1.865 -13.192 2.286 1.00 0.00 C ATOM 120 O SER A 10 2.963 -12.636 2.275 1.00 0.00 O ATOM 121 CB SER A 10 1.268 -12.186 0.067 1.00 0.00 C ATOM 122 OG SER A 10 0.484 -11.105 -0.415 1.00 0.00 O ATOM 0 H SER A 10 0.159 -10.700 1.668 1.00 0.00 H new ATOM 0 HA SER A 10 0.044 -13.530 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.303 -11.866 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.270 -12.995 -0.663 1.00 0.00 H new ATOM 0 HG SER A 10 0.478 -11.117 -1.395 1.00 0.00 H new ATOM 128 N SER A 11 1.599 -14.225 3.065 1.00 0.00 N ATOM 129 CA SER A 11 2.604 -14.790 3.946 1.00 0.00 C ATOM 130 C SER A 11 3.025 -16.166 3.450 1.00 0.00 C ATOM 131 O SER A 11 2.277 -17.138 3.578 1.00 0.00 O ATOM 132 CB SER A 11 2.054 -14.877 5.369 1.00 0.00 C ATOM 133 OG SER A 11 1.301 -13.718 5.689 1.00 0.00 O ATOM 0 H SER A 11 0.692 -14.691 3.105 1.00 0.00 H new ATOM 0 HA SER A 11 3.482 -14.144 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.426 -15.763 5.468 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.876 -14.989 6.076 1.00 0.00 H new ATOM 0 HG SER A 11 0.956 -13.794 6.603 1.00 0.00 H new ATOM 139 N GLY A 12 4.214 -16.239 2.868 1.00 0.00 N ATOM 140 CA GLY A 12 4.712 -17.500 2.356 1.00 0.00 C ATOM 141 C GLY A 12 4.460 -17.647 0.874 1.00 0.00 C ATOM 142 O GLY A 12 4.680 -18.708 0.294 1.00 0.00 O ATOM 0 H GLY A 12 4.843 -15.446 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.782 -17.574 2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.234 -18.322 2.889 1.00 0.00 H new ATOM 146 N LEU A 13 4.006 -16.572 0.258 1.00 0.00 N ATOM 147 CA LEU A 13 3.713 -16.571 -1.166 1.00 0.00 C ATOM 148 C LEU A 13 4.813 -15.842 -1.922 1.00 0.00 C ATOM 149 O LEU A 13 5.357 -14.860 -1.426 1.00 0.00 O ATOM 150 CB LEU A 13 2.353 -15.917 -1.421 1.00 0.00 C ATOM 151 CG LEU A 13 1.164 -16.643 -0.778 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.119 -15.845 -0.956 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.010 -18.036 -1.375 1.00 0.00 C ATOM 0 H LEU A 13 3.831 -15.682 0.724 1.00 0.00 H new ATOM 0 HA LEU A 13 3.672 -17.600 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.381 -14.893 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.188 -15.860 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 13 1.359 -16.739 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.948 -16.380 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.008 -14.868 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.322 -15.714 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.163 -18.540 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.839 -17.955 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.918 -18.612 -1.195 1.00 0.00 H new ATOM 165 N SER A 14 5.145 -16.335 -3.106 1.00 0.00 N ATOM 166 CA SER A 14 6.197 -15.741 -3.927 1.00 0.00 C ATOM 167 C SER A 14 5.769 -14.397 -4.528 1.00 0.00 C ATOM 168 O SER A 14 4.639 -13.941 -4.328 1.00 0.00 O ATOM 169 CB SER A 14 6.577 -16.722 -5.036 1.00 0.00 C ATOM 170 OG SER A 14 6.226 -18.050 -4.675 1.00 0.00 O ATOM 0 H SER A 14 4.699 -17.151 -3.525 1.00 0.00 H new ATOM 0 HA SER A 14 7.059 -15.544 -3.289 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.071 -16.446 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.648 -16.663 -5.229 1.00 0.00 H new ATOM 0 HG SER A 14 6.973 -18.652 -4.875 1.00 0.00 H new ATOM 176 N ASP A 15 6.684 -13.771 -5.267 1.00 0.00 N ATOM 177 CA ASP A 15 6.420 -12.483 -5.905 1.00 0.00 C ATOM 178 C ASP A 15 5.398 -12.641 -7.020 1.00 0.00 C ATOM 179 O ASP A 15 5.304 -13.699 -7.646 1.00 0.00 O ATOM 180 CB ASP A 15 7.714 -11.867 -6.455 1.00 0.00 C ATOM 181 CG ASP A 15 8.292 -12.633 -7.633 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.921 -13.688 -7.410 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.147 -12.174 -8.787 1.00 0.00 O ATOM 0 H ASP A 15 7.620 -14.138 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 15 6.015 -11.810 -5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.518 -10.839 -6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.456 -11.826 -5.658 1.00 0.00 H new ATOM 188 N GLY A 16 4.630 -11.589 -7.258 1.00 0.00 N ATOM 189 CA GLY A 16 3.613 -11.634 -8.285 1.00 0.00 C ATOM 190 C GLY A 16 2.265 -11.997 -7.709 1.00 0.00 C ATOM 191 O GLY A 16 1.260 -12.021 -8.417 1.00 0.00 O ATOM 0 H GLY A 16 4.694 -10.703 -6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.550 -10.665 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.894 -12.363 -9.046 1.00 0.00 H new ATOM 195 N THR A 17 2.247 -12.271 -6.411 1.00 0.00 N ATOM 196 CA THR A 17 1.020 -12.627 -5.724 1.00 0.00 C ATOM 197 C THR A 17 0.117 -11.407 -5.567 1.00 0.00 C ATOM 198 O THR A 17 0.581 -10.310 -5.245 1.00 0.00 O ATOM 199 CB THR A 17 1.318 -13.237 -4.339 1.00 0.00 C ATOM 200 OG1 THR A 17 2.038 -14.467 -4.497 1.00 0.00 O ATOM 201 CG2 THR A 17 0.036 -13.495 -3.560 1.00 0.00 C ATOM 0 H THR A 17 3.074 -12.252 -5.814 1.00 0.00 H new ATOM 0 HA THR A 17 0.506 -13.373 -6.330 1.00 0.00 H new ATOM 0 HB THR A 17 1.921 -12.523 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.977 -14.330 -4.251 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.281 -13.925 -2.589 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.498 -12.556 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.594 -14.189 -4.116 1.00 0.00 H new ATOM 209 N VAL A 18 -1.169 -11.605 -5.814 1.00 0.00 N ATOM 210 CA VAL A 18 -2.146 -10.535 -5.709 1.00 0.00 C ATOM 211 C VAL A 18 -2.686 -10.432 -4.283 1.00 0.00 C ATOM 212 O VAL A 18 -3.242 -11.390 -3.743 1.00 0.00 O ATOM 213 CB VAL A 18 -3.313 -10.750 -6.694 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.165 -9.500 -6.794 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.790 -11.151 -8.065 1.00 0.00 C ATOM 0 H VAL A 18 -1.561 -12.505 -6.091 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.642 -9.603 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.936 -11.560 -6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.983 -9.672 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.572 -9.258 -5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.553 -8.670 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.629 -11.298 -8.746 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.142 -10.364 -8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.224 -12.079 -7.981 1.00 0.00 H new ATOM 225 N VAL A 19 -2.503 -9.269 -3.680 1.00 0.00 N ATOM 226 CA VAL A 19 -2.959 -9.015 -2.321 1.00 0.00 C ATOM 227 C VAL A 19 -4.383 -8.470 -2.327 1.00 0.00 C ATOM 228 O VAL A 19 -4.727 -7.625 -3.158 1.00 0.00 O ATOM 229 CB VAL A 19 -2.037 -8.002 -1.608 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.330 -7.955 -0.119 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.575 -8.335 -1.854 1.00 0.00 C ATOM 0 H VAL A 19 -2.035 -8.475 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.932 -9.963 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.238 -7.015 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.667 -7.234 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.366 -7.656 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.167 -8.941 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.055 -7.608 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.360 -9.333 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.370 -8.303 -2.924 1.00 0.00 H new ATOM 241 N LYS A 20 -5.207 -8.956 -1.402 1.00 0.00 N ATOM 242 CA LYS A 20 -6.592 -8.518 -1.303 1.00 0.00 C ATOM 243 C LYS A 20 -6.734 -7.414 -0.263 1.00 0.00 C ATOM 244 O LYS A 20 -6.398 -7.603 0.909 1.00 0.00 O ATOM 245 CB LYS A 20 -7.503 -9.690 -0.935 1.00 0.00 C ATOM 246 CG LYS A 20 -8.958 -9.289 -0.734 1.00 0.00 C ATOM 247 CD LYS A 20 -9.841 -10.492 -0.453 1.00 0.00 C ATOM 248 CE LYS A 20 -10.152 -11.267 -1.723 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.774 -12.585 -1.429 1.00 0.00 N ATOM 0 H LYS A 20 -4.936 -9.655 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.891 -8.128 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.447 -10.444 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.133 -10.154 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.030 -8.584 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.319 -8.773 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.346 -11.148 0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.771 -10.161 0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.823 -10.681 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.234 -11.417 -2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.971 -13.083 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.124 -13.155 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.663 -12.441 -0.909 1.00 0.00 H new ATOM 263 N VAL A 21 -7.230 -6.266 -0.700 1.00 0.00 N ATOM 264 CA VAL A 21 -7.441 -5.132 0.182 1.00 0.00 C ATOM 265 C VAL A 21 -8.916 -4.742 0.189 1.00 0.00 C ATOM 266 O VAL A 21 -9.408 -4.142 -0.764 1.00 0.00 O ATOM 267 CB VAL A 21 -6.593 -3.914 -0.244 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.896 -2.709 0.634 1.00 0.00 C ATOM 269 CG2 VAL A 21 -5.110 -4.252 -0.202 1.00 0.00 C ATOM 0 H VAL A 21 -7.496 -6.096 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.131 -5.432 1.183 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.857 -3.659 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.287 -1.864 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.951 -2.450 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.668 -2.949 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.530 -3.381 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.831 -4.539 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.906 -5.079 -0.882 1.00 0.00 H new ATOM 279 N ALA A 22 -9.618 -5.117 1.249 1.00 0.00 N ATOM 280 CA ALA A 22 -11.035 -4.806 1.379 1.00 0.00 C ATOM 281 C ALA A 22 -11.300 -4.053 2.676 1.00 0.00 C ATOM 282 O ALA A 22 -11.396 -4.652 3.752 1.00 0.00 O ATOM 283 CB ALA A 22 -11.866 -6.081 1.321 1.00 0.00 C ATOM 0 H ALA A 22 -9.228 -5.639 2.034 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.326 -4.166 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.922 -5.832 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.699 -6.581 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.572 -6.744 2.135 1.00 0.00 H new ATOM 289 N GLY A 23 -11.402 -2.737 2.573 1.00 0.00 N ATOM 290 CA GLY A 23 -11.650 -1.920 3.740 1.00 0.00 C ATOM 291 C GLY A 23 -13.080 -1.427 3.802 1.00 0.00 C ATOM 292 O GLY A 23 -13.584 -0.850 2.840 1.00 0.00 O ATOM 0 H GLY A 23 -11.317 -2.219 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.427 -2.496 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.973 -1.066 3.733 1.00 0.00 H new ATOM 296 N ALA A 24 -13.732 -1.668 4.928 1.00 0.00 N ATOM 297 CA ALA A 24 -15.109 -1.242 5.127 1.00 0.00 C ATOM 298 C ALA A 24 -15.196 -0.281 6.307 1.00 0.00 C ATOM 299 O ALA A 24 -14.459 -0.419 7.289 1.00 0.00 O ATOM 300 CB ALA A 24 -16.017 -2.450 5.337 1.00 0.00 C ATOM 0 H ALA A 24 -13.326 -2.160 5.724 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.448 -0.718 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.043 -2.113 5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.970 -3.097 4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.688 -3.004 6.216 1.00 0.00 H new ATOM 306 N GLY A 25 -16.093 0.687 6.214 1.00 0.00 N ATOM 307 CA GLY A 25 -16.244 1.660 7.276 1.00 0.00 C ATOM 308 C GLY A 25 -15.322 2.846 7.079 1.00 0.00 C ATOM 309 O GLY A 25 -14.957 3.532 8.035 1.00 0.00 O ATOM 0 H GLY A 25 -16.721 0.817 5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.278 2.004 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.032 1.188 8.236 1.00 0.00 H new ATOM 313 N LEU A 26 -14.946 3.081 5.830 1.00 0.00 N ATOM 314 CA LEU A 26 -14.062 4.180 5.477 1.00 0.00 C ATOM 315 C LEU A 26 -14.876 5.434 5.173 1.00 0.00 C ATOM 316 O LEU A 26 -16.080 5.467 5.420 1.00 0.00 O ATOM 317 CB LEU A 26 -13.219 3.789 4.265 1.00 0.00 C ATOM 318 CG LEU A 26 -12.455 2.466 4.394 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.811 2.091 3.065 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.398 2.562 5.489 1.00 0.00 C ATOM 0 H LEU A 26 -15.245 2.516 5.035 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.401 4.393 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.872 3.729 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.501 4.586 4.071 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.164 1.685 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.273 1.149 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.584 1.981 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.115 2.874 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.866 1.614 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.692 3.355 5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.880 2.786 6.441 1.00 0.00 H new ATOM 332 N GLN A 27 -14.231 6.456 4.633 1.00 0.00 N ATOM 333 CA GLN A 27 -14.926 7.696 4.311 1.00 0.00 C ATOM 334 C GLN A 27 -15.461 7.652 2.886 1.00 0.00 C ATOM 335 O GLN A 27 -14.694 7.724 1.924 1.00 0.00 O ATOM 336 CB GLN A 27 -14.000 8.902 4.486 1.00 0.00 C ATOM 337 CG GLN A 27 -14.737 10.234 4.507 1.00 0.00 C ATOM 338 CD GLN A 27 -15.420 10.508 5.834 1.00 0.00 C ATOM 339 OE1 GLN A 27 -14.951 10.083 6.891 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.533 11.219 5.792 1.00 0.00 N ATOM 0 H GLN A 27 -13.236 6.454 4.409 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.764 7.801 5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.442 8.790 5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.271 8.911 3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.032 11.037 4.294 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.482 10.244 3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.891 11.554 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.034 11.433 6.654 1.00 0.00 H new ATOM 349 N ALA A 28 -16.774 7.530 2.751 1.00 0.00 N ATOM 350 CA ALA A 28 -17.405 7.481 1.441 1.00 0.00 C ATOM 351 C ALA A 28 -17.113 8.753 0.653 1.00 0.00 C ATOM 352 O ALA A 28 -17.303 9.862 1.156 1.00 0.00 O ATOM 353 CB ALA A 28 -18.908 7.281 1.585 1.00 0.00 C ATOM 0 H ALA A 28 -17.424 7.463 3.535 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.990 6.636 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.367 7.246 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.102 6.345 2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.332 8.109 2.153 1.00 0.00 H new ATOM 359 N GLY A 29 -16.617 8.585 -0.567 1.00 0.00 N ATOM 360 CA GLY A 29 -16.316 9.726 -1.409 1.00 0.00 C ATOM 361 C GLY A 29 -14.841 10.081 -1.447 1.00 0.00 C ATOM 362 O GLY A 29 -14.442 10.997 -2.167 1.00 0.00 O ATOM 0 H GLY A 29 -16.418 7.678 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.657 9.519 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.880 10.588 -1.053 1.00 0.00 H new ATOM 366 N THR A 30 -14.026 9.373 -0.684 1.00 0.00 N ATOM 367 CA THR A 30 -12.597 9.649 -0.665 1.00 0.00 C ATOM 368 C THR A 30 -11.813 8.571 -1.407 1.00 0.00 C ATOM 369 O THR A 30 -12.301 7.453 -1.598 1.00 0.00 O ATOM 370 CB THR A 30 -12.055 9.785 0.773 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.233 8.566 1.507 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.745 10.919 1.507 1.00 0.00 C ATOM 0 H THR A 30 -14.323 8.611 -0.075 1.00 0.00 H new ATOM 0 HA THR A 30 -12.460 10.602 -1.175 1.00 0.00 H new ATOM 0 HB THR A 30 -10.990 10.003 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.188 8.354 1.563 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.345 10.994 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.570 11.855 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.816 10.723 1.554 1.00 0.00 H new ATOM 380 N ALA A 31 -10.601 8.919 -1.831 1.00 0.00 N ATOM 381 CA ALA A 31 -9.745 7.995 -2.556 1.00 0.00 C ATOM 382 C ALA A 31 -8.600 7.534 -1.668 1.00 0.00 C ATOM 383 O ALA A 31 -8.059 8.313 -0.879 1.00 0.00 O ATOM 384 CB ALA A 31 -9.213 8.642 -3.827 1.00 0.00 C ATOM 0 H ALA A 31 -10.191 9.841 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.335 7.124 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.574 7.934 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.048 8.926 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.635 9.530 -3.569 1.00 0.00 H new ATOM 390 N TYR A 32 -8.238 6.269 -1.794 1.00 0.00 N ATOM 391 CA TYR A 32 -7.168 5.706 -0.995 1.00 0.00 C ATOM 392 C TYR A 32 -6.023 5.224 -1.875 1.00 0.00 C ATOM 393 O TYR A 32 -6.238 4.579 -2.905 1.00 0.00 O ATOM 394 CB TYR A 32 -7.695 4.555 -0.131 1.00 0.00 C ATOM 395 CG TYR A 32 -8.674 4.999 0.936 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.038 5.069 0.673 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.233 5.360 2.202 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.930 5.486 1.642 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.119 5.782 3.175 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.466 5.843 2.890 1.00 0.00 C ATOM 401 OH TYR A 32 -11.350 6.271 3.856 1.00 0.00 O ATOM 0 H TYR A 32 -8.671 5.613 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.787 6.491 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.180 3.821 -0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.853 4.054 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.406 4.793 -0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.179 5.310 2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.986 5.532 1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.758 6.062 4.153 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.860 6.482 4.678 1.00 0.00 H new ATOM 411 N ASP A 33 -4.810 5.551 -1.462 1.00 0.00 N ATOM 412 CA ASP A 33 -3.608 5.157 -2.183 1.00 0.00 C ATOM 413 C ASP A 33 -3.017 3.924 -1.518 1.00 0.00 C ATOM 414 O ASP A 33 -2.409 4.015 -0.449 1.00 0.00 O ATOM 415 CB ASP A 33 -2.584 6.302 -2.183 1.00 0.00 C ATOM 416 CG ASP A 33 -1.539 6.182 -3.281 1.00 0.00 C ATOM 417 OD1 ASP A 33 -0.763 5.207 -3.272 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.473 7.086 -4.145 1.00 0.00 O ATOM 0 H ASP A 33 -4.629 6.096 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.863 4.929 -3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.111 7.250 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.082 6.330 -1.216 1.00 0.00 H new ATOM 423 N VAL A 34 -3.226 2.768 -2.131 1.00 0.00 N ATOM 424 CA VAL A 34 -2.737 1.518 -1.577 1.00 0.00 C ATOM 425 C VAL A 34 -1.749 0.842 -2.521 1.00 0.00 C ATOM 426 O VAL A 34 -2.061 0.585 -3.688 1.00 0.00 O ATOM 427 CB VAL A 34 -3.901 0.543 -1.281 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.405 -0.677 -0.521 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.012 1.241 -0.508 1.00 0.00 C ATOM 0 H VAL A 34 -3.731 2.672 -3.012 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.229 1.763 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.309 0.208 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.241 -1.348 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.655 -1.197 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.963 -0.362 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.819 0.534 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.619 1.614 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.395 2.075 -1.095 1.00 0.00 H new ATOM 439 N GLY A 35 -0.558 0.568 -2.007 1.00 0.00 N ATOM 440 CA GLY A 35 0.466 -0.092 -2.787 1.00 0.00 C ATOM 441 C GLY A 35 1.479 -0.771 -1.894 1.00 0.00 C ATOM 442 O GLY A 35 1.362 -0.712 -0.669 1.00 0.00 O ATOM 0 H GLY A 35 -0.282 0.795 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.007 -0.828 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.968 0.636 -3.423 1.00 0.00 H new ATOM 446 N GLN A 36 2.466 -1.426 -2.484 1.00 0.00 N ATOM 447 CA GLN A 36 3.498 -2.091 -1.702 1.00 0.00 C ATOM 448 C GLN A 36 4.572 -1.077 -1.332 1.00 0.00 C ATOM 449 O GLN A 36 5.079 -0.357 -2.190 1.00 0.00 O ATOM 450 CB GLN A 36 4.108 -3.267 -2.472 1.00 0.00 C ATOM 451 CG GLN A 36 4.575 -2.910 -3.873 1.00 0.00 C ATOM 452 CD GLN A 36 5.416 -3.997 -4.511 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.381 -4.184 -5.725 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.188 -4.712 -3.706 1.00 0.00 N ATOM 0 H GLN A 36 2.575 -1.512 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 36 3.049 -2.496 -0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.953 -3.659 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.370 -4.067 -2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.706 -2.715 -4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.153 -1.987 -3.833 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.189 -4.526 -2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.781 -5.448 -4.089 1.00 0.00 H new ATOM 463 N CYS A 37 4.901 -0.997 -0.054 1.00 0.00 N ATOM 464 CA CYS A 37 5.895 -0.044 0.407 1.00 0.00 C ATOM 465 C CYS A 37 7.002 -0.727 1.198 1.00 0.00 C ATOM 466 O CYS A 37 6.831 -1.844 1.696 1.00 0.00 O ATOM 467 CB CYS A 37 5.216 1.015 1.271 1.00 0.00 C ATOM 468 SG CYS A 37 3.510 1.403 0.761 1.00 0.00 S ATOM 0 H CYS A 37 4.496 -1.578 0.680 1.00 0.00 H new ATOM 0 HA CYS A 37 6.352 0.423 -0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.206 0.674 2.306 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.810 1.929 1.242 1.00 0.00 H new ATOM 473 N ALA A 38 8.142 -0.054 1.289 1.00 0.00 N ATOM 474 CA ALA A 38 9.287 -0.564 2.022 1.00 0.00 C ATOM 475 C ALA A 38 10.033 0.584 2.689 1.00 0.00 C ATOM 476 O ALA A 38 9.710 1.754 2.461 1.00 0.00 O ATOM 477 CB ALA A 38 10.213 -1.329 1.091 1.00 0.00 C ATOM 0 H ALA A 38 8.296 0.857 0.857 1.00 0.00 H new ATOM 0 HA ALA A 38 8.934 -1.248 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.067 -1.705 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.673 -2.166 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.564 -0.665 0.301 1.00 0.00 H new ATOM 483 N TRP A 39 11.018 0.248 3.515 1.00 0.00 N ATOM 484 CA TRP A 39 11.815 1.252 4.213 1.00 0.00 C ATOM 485 C TRP A 39 12.689 2.019 3.229 1.00 0.00 C ATOM 486 O TRP A 39 13.663 1.480 2.697 1.00 0.00 O ATOM 487 CB TRP A 39 12.686 0.591 5.282 1.00 0.00 C ATOM 488 CG TRP A 39 12.076 0.621 6.649 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.873 0.097 7.026 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.640 1.221 7.822 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.659 0.328 8.363 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.729 1.016 8.874 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.829 1.906 8.085 1.00 0.00 C ATOM 494 CZ2 TRP A 39 11.967 1.475 10.167 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.065 2.361 9.371 1.00 0.00 C ATOM 496 CH2 TRP A 39 13.140 2.143 10.397 1.00 0.00 C ATOM 0 H TRP A 39 11.285 -0.715 3.718 1.00 0.00 H new ATOM 0 HA TRP A 39 11.135 1.954 4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.873 -0.445 4.998 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.653 1.092 5.313 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.190 -0.422 6.370 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.837 0.035 8.891 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.550 2.077 7.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.252 1.310 10.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 14.980 2.894 9.586 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.355 2.509 11.390 1.00 0.00 H new ATOM 507 N VAL A 40 12.340 3.275 2.992 1.00 0.00 N ATOM 508 CA VAL A 40 13.085 4.106 2.061 1.00 0.00 C ATOM 509 C VAL A 40 14.078 5.002 2.798 1.00 0.00 C ATOM 510 O VAL A 40 15.059 5.461 2.217 1.00 0.00 O ATOM 511 CB VAL A 40 12.133 4.960 1.189 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.619 6.179 1.950 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.814 5.365 -0.115 1.00 0.00 C ATOM 0 H VAL A 40 11.546 3.740 3.432 1.00 0.00 H new ATOM 0 HA VAL A 40 13.645 3.441 1.404 1.00 0.00 H new ATOM 0 HB VAL A 40 11.266 4.347 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.954 6.755 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.074 5.852 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.461 6.802 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.128 5.965 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.707 5.949 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.094 4.471 -0.672 1.00 0.00 H new ATOM 523 N ASP A 41 13.819 5.237 4.081 1.00 0.00 N ATOM 524 CA ASP A 41 14.688 6.069 4.902 1.00 0.00 C ATOM 525 C ASP A 41 14.484 5.733 6.373 1.00 0.00 C ATOM 526 O ASP A 41 13.639 4.905 6.715 1.00 0.00 O ATOM 527 CB ASP A 41 14.399 7.554 4.660 1.00 0.00 C ATOM 528 CG ASP A 41 15.626 8.428 4.836 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.032 8.665 5.994 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.179 8.890 3.816 1.00 0.00 O ATOM 0 H ASP A 41 13.010 4.860 4.575 1.00 0.00 H new ATOM 0 HA ASP A 41 15.724 5.869 4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.008 7.684 3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.621 7.885 5.348 1.00 0.00 H new ATOM 535 N THR A 42 15.240 6.388 7.236 1.00 0.00 N ATOM 536 CA THR A 42 15.147 6.159 8.666 1.00 0.00 C ATOM 537 C THR A 42 13.849 6.740 9.225 1.00 0.00 C ATOM 538 O THR A 42 13.730 7.952 9.415 1.00 0.00 O ATOM 539 CB THR A 42 16.346 6.780 9.401 1.00 0.00 C ATOM 540 OG1 THR A 42 17.524 6.671 8.589 1.00 0.00 O ATOM 541 CG2 THR A 42 16.579 6.089 10.733 1.00 0.00 C ATOM 0 H THR A 42 15.931 7.089 6.968 1.00 0.00 H new ATOM 0 HA THR A 42 15.153 5.081 8.828 1.00 0.00 H new ATOM 0 HB THR A 42 16.127 7.831 9.589 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.285 7.070 9.061 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.432 6.545 11.235 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.692 6.194 11.357 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.781 5.031 10.564 1.00 0.00 H new ATOM 549 N GLY A 43 12.873 5.869 9.454 1.00 0.00 N ATOM 550 CA GLY A 43 11.595 6.302 9.984 1.00 0.00 C ATOM 551 C GLY A 43 10.646 6.747 8.890 1.00 0.00 C ATOM 552 O GLY A 43 9.573 7.285 9.165 1.00 0.00 O ATOM 0 H GLY A 43 12.945 4.866 9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.141 5.486 10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.752 7.123 10.683 1.00 0.00 H new ATOM 556 N VAL A 44 11.043 6.529 7.642 1.00 0.00 N ATOM 557 CA VAL A 44 10.226 6.911 6.502 1.00 0.00 C ATOM 558 C VAL A 44 10.129 5.757 5.509 1.00 0.00 C ATOM 559 O VAL A 44 11.132 5.126 5.175 1.00 0.00 O ATOM 560 CB VAL A 44 10.801 8.156 5.782 1.00 0.00 C ATOM 561 CG1 VAL A 44 9.930 8.555 4.599 1.00 0.00 C ATOM 562 CG2 VAL A 44 10.950 9.323 6.747 1.00 0.00 C ATOM 0 H VAL A 44 11.929 6.088 7.396 1.00 0.00 H new ATOM 0 HA VAL A 44 9.234 7.157 6.880 1.00 0.00 H new ATOM 0 HB VAL A 44 11.789 7.893 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.357 9.432 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.884 7.731 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.925 8.788 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.356 10.184 6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.975 9.579 7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.626 9.043 7.555 1.00 0.00 H new ATOM 572 N LEU A 45 8.924 5.472 5.051 1.00 0.00 N ATOM 573 CA LEU A 45 8.707 4.400 4.095 1.00 0.00 C ATOM 574 C LEU A 45 8.256 4.985 2.767 1.00 0.00 C ATOM 575 O LEU A 45 8.004 6.181 2.678 1.00 0.00 O ATOM 576 CB LEU A 45 7.668 3.409 4.626 1.00 0.00 C ATOM 577 CG LEU A 45 8.144 2.521 5.781 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.815 3.151 7.125 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.527 1.136 5.679 1.00 0.00 C ATOM 0 H LEU A 45 8.077 5.970 5.326 1.00 0.00 H new ATOM 0 HA LEU A 45 9.643 3.861 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.792 3.967 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.347 2.768 3.805 1.00 0.00 H new ATOM 0 HG LEU A 45 9.227 2.425 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.164 2.500 7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.309 4.120 7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.737 3.285 7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.877 0.520 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.441 1.218 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.820 0.676 4.736 1.00 0.00 H new ATOM 591 N ALA A 46 8.171 4.153 1.738 1.00 0.00 N ATOM 592 CA ALA A 46 7.750 4.613 0.422 1.00 0.00 C ATOM 593 C ALA A 46 7.240 3.457 -0.430 1.00 0.00 C ATOM 594 O ALA A 46 7.694 2.321 -0.278 1.00 0.00 O ATOM 595 CB ALA A 46 8.906 5.308 -0.270 1.00 0.00 C ATOM 0 H ALA A 46 8.388 3.158 1.789 1.00 0.00 H new ATOM 0 HA ALA A 46 6.929 5.318 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.588 5.651 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.226 6.163 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.737 4.611 -0.380 1.00 0.00 H new ATOM 601 N CYS A 47 6.302 3.751 -1.325 1.00 0.00 N ATOM 602 CA CYS A 47 5.720 2.736 -2.202 1.00 0.00 C ATOM 603 C CYS A 47 5.949 3.094 -3.668 1.00 0.00 C ATOM 604 O CYS A 47 6.423 4.185 -3.974 1.00 0.00 O ATOM 605 CB CYS A 47 4.216 2.604 -1.940 1.00 0.00 C ATOM 606 SG CYS A 47 3.688 3.134 -0.279 1.00 0.00 S ATOM 0 H CYS A 47 5.926 4.689 -1.464 1.00 0.00 H new ATOM 0 HA CYS A 47 6.209 1.786 -1.988 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.678 3.192 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.925 1.564 -2.085 1.00 0.00 H new ATOM 611 N ASN A 48 5.609 2.178 -4.568 1.00 0.00 N ATOM 612 CA ASN A 48 5.769 2.414 -5.998 1.00 0.00 C ATOM 613 C ASN A 48 4.427 2.747 -6.650 1.00 0.00 C ATOM 614 O ASN A 48 3.520 1.918 -6.707 1.00 0.00 O ATOM 615 CB ASN A 48 6.414 1.206 -6.693 1.00 0.00 C ATOM 616 CG ASN A 48 5.630 -0.090 -6.540 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.926 -0.303 -5.552 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.757 -0.972 -7.520 1.00 0.00 N ATOM 0 H ASN A 48 5.221 1.265 -4.332 1.00 0.00 H new ATOM 0 HA ASN A 48 6.434 3.270 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.525 1.428 -7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.417 1.061 -6.291 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.262 -1.863 -7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.349 -0.760 -8.323 1.00 0.00 H new ATOM 625 N PRO A 49 4.297 3.973 -7.177 1.00 0.00 N ATOM 626 CA PRO A 49 3.071 4.439 -7.826 1.00 0.00 C ATOM 627 C PRO A 49 2.956 3.935 -9.262 1.00 0.00 C ATOM 628 O PRO A 49 2.173 4.451 -10.056 1.00 0.00 O ATOM 629 CB PRO A 49 3.229 5.960 -7.795 1.00 0.00 C ATOM 630 CG PRO A 49 4.698 6.178 -7.891 1.00 0.00 C ATOM 631 CD PRO A 49 5.342 5.013 -7.181 1.00 0.00 C ATOM 0 HA PRO A 49 2.170 4.079 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.702 6.432 -8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.823 6.384 -6.876 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.018 6.225 -8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.983 7.122 -7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.239 4.675 -7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.643 5.280 -6.168 1.00 0.00 H new ATOM 639 N ALA A 50 3.751 2.933 -9.595 1.00 0.00 N ATOM 640 CA ALA A 50 3.729 2.366 -10.929 1.00 0.00 C ATOM 641 C ALA A 50 3.000 1.028 -10.932 1.00 0.00 C ATOM 642 O ALA A 50 2.563 0.550 -11.976 1.00 0.00 O ATOM 643 CB ALA A 50 5.147 2.210 -11.459 1.00 0.00 C ATOM 0 H ALA A 50 4.419 2.497 -8.959 1.00 0.00 H new ATOM 0 HA ALA A 50 3.188 3.046 -11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.116 1.783 -12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.631 3.186 -11.495 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.711 1.549 -10.801 1.00 0.00 H new ATOM 649 N ASP A 51 2.850 0.437 -9.753 1.00 0.00 N ATOM 650 CA ASP A 51 2.180 -0.852 -9.633 1.00 0.00 C ATOM 651 C ASP A 51 1.098 -0.807 -8.566 1.00 0.00 C ATOM 652 O ASP A 51 0.652 -1.841 -8.069 1.00 0.00 O ATOM 653 CB ASP A 51 3.186 -1.947 -9.298 1.00 0.00 C ATOM 654 CG ASP A 51 3.280 -2.994 -10.383 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.254 -3.628 -10.701 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.388 -3.195 -10.927 1.00 0.00 O ATOM 0 H ASP A 51 3.181 0.827 -8.871 1.00 0.00 H new ATOM 0 HA ASP A 51 1.714 -1.075 -10.593 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.168 -1.500 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.901 -2.424 -8.360 1.00 0.00 H new ATOM 661 N PHE A 52 0.674 0.396 -8.218 1.00 0.00 N ATOM 662 CA PHE A 52 -0.359 0.568 -7.210 1.00 0.00 C ATOM 663 C PHE A 52 -1.723 0.669 -7.883 1.00 0.00 C ATOM 664 O PHE A 52 -1.819 0.653 -9.113 1.00 0.00 O ATOM 665 CB PHE A 52 -0.071 1.816 -6.355 1.00 0.00 C ATOM 666 CG PHE A 52 -0.682 3.086 -6.890 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.293 3.595 -8.117 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.648 3.766 -6.165 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.858 4.753 -8.613 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.217 4.923 -6.657 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.821 5.419 -7.881 1.00 0.00 C ATOM 0 H PHE A 52 1.028 1.266 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.362 -0.298 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.443 1.644 -5.345 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.008 1.949 -6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.461 3.080 -8.693 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.959 3.386 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.547 5.138 -9.573 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.972 5.440 -6.083 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.263 6.326 -8.266 1.00 0.00 H new ATOM 681 N SER A 53 -2.770 0.742 -7.082 1.00 0.00 N ATOM 682 CA SER A 53 -4.118 0.867 -7.603 1.00 0.00 C ATOM 683 C SER A 53 -4.955 1.740 -6.676 1.00 0.00 C ATOM 684 O SER A 53 -5.340 1.315 -5.588 1.00 0.00 O ATOM 685 CB SER A 53 -4.758 -0.511 -7.772 1.00 0.00 C ATOM 686 OG SER A 53 -4.007 -1.312 -8.672 1.00 0.00 O ATOM 0 H SER A 53 -2.712 0.717 -6.064 1.00 0.00 H new ATOM 0 HA SER A 53 -4.074 1.341 -8.583 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.822 -1.008 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.777 -0.400 -8.142 1.00 0.00 H new ATOM 0 HG SER A 53 -4.434 -2.189 -8.763 1.00 0.00 H new ATOM 692 N SER A 54 -5.210 2.966 -7.107 1.00 0.00 N ATOM 693 CA SER A 54 -5.988 3.914 -6.329 1.00 0.00 C ATOM 694 C SER A 54 -7.456 3.505 -6.305 1.00 0.00 C ATOM 695 O SER A 54 -8.116 3.453 -7.345 1.00 0.00 O ATOM 696 CB SER A 54 -5.823 5.310 -6.926 1.00 0.00 C ATOM 697 OG SER A 54 -5.418 5.227 -8.285 1.00 0.00 O ATOM 0 H SER A 54 -4.884 3.329 -8.003 1.00 0.00 H new ATOM 0 HA SER A 54 -5.627 3.922 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.764 5.856 -6.854 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.084 5.871 -6.354 1.00 0.00 H new ATOM 0 HG SER A 54 -4.439 5.236 -8.336 1.00 0.00 H new ATOM 703 N VAL A 55 -7.958 3.202 -5.121 1.00 0.00 N ATOM 704 CA VAL A 55 -9.341 2.794 -4.975 1.00 0.00 C ATOM 705 C VAL A 55 -10.139 3.876 -4.258 1.00 0.00 C ATOM 706 O VAL A 55 -9.620 4.559 -3.375 1.00 0.00 O ATOM 707 CB VAL A 55 -9.455 1.453 -4.212 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.999 1.601 -2.767 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.875 0.911 -4.278 1.00 0.00 C ATOM 0 H VAL A 55 -7.429 3.231 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.754 2.650 -5.973 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.794 0.736 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.091 0.642 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.959 1.926 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.621 2.341 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.930 -0.032 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.560 1.630 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.154 0.747 -5.319 1.00 0.00 H new ATOM 719 N THR A 56 -11.386 4.045 -4.652 1.00 0.00 N ATOM 720 CA THR A 56 -12.244 5.040 -4.043 1.00 0.00 C ATOM 721 C THR A 56 -13.340 4.355 -3.230 1.00 0.00 C ATOM 722 O THR A 56 -13.753 3.236 -3.547 1.00 0.00 O ATOM 723 CB THR A 56 -12.864 5.971 -5.110 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.519 7.084 -4.487 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.855 5.218 -5.987 1.00 0.00 C ATOM 0 H THR A 56 -11.828 3.503 -5.394 1.00 0.00 H new ATOM 0 HA THR A 56 -11.638 5.654 -3.377 1.00 0.00 H new ATOM 0 HB THR A 56 -12.054 6.339 -5.739 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.145 7.225 -3.592 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.275 5.898 -6.728 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.344 4.400 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.657 4.816 -5.368 1.00 0.00 H new ATOM 733 N ALA A 57 -13.790 5.012 -2.175 1.00 0.00 N ATOM 734 CA ALA A 57 -14.837 4.460 -1.329 1.00 0.00 C ATOM 735 C ALA A 57 -16.202 4.644 -1.975 1.00 0.00 C ATOM 736 O ALA A 57 -16.493 5.696 -2.551 1.00 0.00 O ATOM 737 CB ALA A 57 -14.805 5.113 0.042 1.00 0.00 C ATOM 0 H ALA A 57 -13.448 5.927 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.657 3.392 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.594 4.691 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.837 4.931 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.961 6.187 -0.063 1.00 0.00 H new ATOM 743 N ASP A 58 -17.030 3.614 -1.878 1.00 0.00 N ATOM 744 CA ASP A 58 -18.368 3.644 -2.450 1.00 0.00 C ATOM 745 C ASP A 58 -19.359 4.262 -1.468 1.00 0.00 C ATOM 746 O ASP A 58 -18.968 4.733 -0.399 1.00 0.00 O ATOM 747 CB ASP A 58 -18.824 2.232 -2.854 1.00 0.00 C ATOM 748 CG ASP A 58 -18.801 1.218 -1.721 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.725 1.613 -0.540 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.866 0.009 -2.017 1.00 0.00 O ATOM 0 H ASP A 58 -16.796 2.741 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.337 4.263 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.837 2.290 -3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.184 1.873 -3.660 1.00 0.00 H new ATOM 755 N ALA A 59 -20.641 4.238 -1.828 1.00 0.00 N ATOM 756 CA ALA A 59 -21.700 4.804 -0.988 1.00 0.00 C ATOM 757 C ALA A 59 -21.833 4.055 0.336 1.00 0.00 C ATOM 758 O ALA A 59 -22.423 4.563 1.291 1.00 0.00 O ATOM 759 CB ALA A 59 -23.028 4.790 -1.730 1.00 0.00 C ATOM 0 H ALA A 59 -20.975 3.830 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.424 5.834 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.805 5.213 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.942 5.383 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.290 3.764 -1.988 1.00 0.00 H new ATOM 765 N ASN A 60 -21.279 2.853 0.394 1.00 0.00 N ATOM 766 CA ASN A 60 -21.341 2.037 1.600 1.00 0.00 C ATOM 767 C ASN A 60 -20.139 2.327 2.484 1.00 0.00 C ATOM 768 O ASN A 60 -20.036 1.820 3.603 1.00 0.00 O ATOM 769 CB ASN A 60 -21.371 0.544 1.248 1.00 0.00 C ATOM 770 CG ASN A 60 -22.593 0.154 0.441 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.592 0.874 0.408 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.528 -0.993 -0.212 1.00 0.00 N ATOM 0 H ASN A 60 -20.780 2.419 -0.382 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.257 2.287 2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.473 0.290 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.346 -0.042 2.167 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.323 -1.309 -0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.683 -1.562 -0.160 1.00 0.00 H new ATOM 779 N GLY A 61 -19.230 3.144 1.971 1.00 0.00 N ATOM 780 CA GLY A 61 -18.038 3.488 2.713 1.00 0.00 C ATOM 781 C GLY A 61 -17.018 2.370 2.672 1.00 0.00 C ATOM 782 O GLY A 61 -16.252 2.183 3.614 1.00 0.00 O ATOM 0 H GLY A 61 -19.299 3.576 1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.600 4.397 2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.302 3.704 3.748 1.00 0.00 H new ATOM 786 N SER A 62 -17.010 1.620 1.585 1.00 0.00 N ATOM 787 CA SER A 62 -16.080 0.520 1.438 1.00 0.00 C ATOM 788 C SER A 62 -15.236 0.682 0.181 1.00 0.00 C ATOM 789 O SER A 62 -15.670 1.289 -0.801 1.00 0.00 O ATOM 790 CB SER A 62 -16.838 -0.809 1.405 1.00 0.00 C ATOM 791 OG SER A 62 -18.173 -0.634 0.941 1.00 0.00 O ATOM 0 H SER A 62 -17.638 1.754 0.792 1.00 0.00 H new ATOM 0 HA SER A 62 -15.408 0.523 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.315 -1.512 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.852 -1.246 2.403 1.00 0.00 H new ATOM 0 HG SER A 62 -18.206 0.119 0.315 1.00 0.00 H new ATOM 797 N ALA A 63 -14.024 0.153 0.230 1.00 0.00 N ATOM 798 CA ALA A 63 -13.105 0.222 -0.892 1.00 0.00 C ATOM 799 C ALA A 63 -12.294 -1.065 -0.999 1.00 0.00 C ATOM 800 O ALA A 63 -11.480 -1.374 -0.124 1.00 0.00 O ATOM 801 CB ALA A 63 -12.188 1.425 -0.745 1.00 0.00 C ATOM 0 H ALA A 63 -13.652 -0.334 1.045 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.682 0.337 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.503 1.466 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.785 2.336 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.617 1.336 0.179 1.00 0.00 H new ATOM 807 N SER A 64 -12.543 -1.828 -2.052 1.00 0.00 N ATOM 808 CA SER A 64 -11.835 -3.077 -2.272 1.00 0.00 C ATOM 809 C SER A 64 -10.971 -2.981 -3.522 1.00 0.00 C ATOM 810 O SER A 64 -11.407 -2.456 -4.550 1.00 0.00 O ATOM 811 CB SER A 64 -12.832 -4.230 -2.396 1.00 0.00 C ATOM 812 OG SER A 64 -13.861 -4.110 -1.424 1.00 0.00 O ATOM 0 H SER A 64 -13.232 -1.602 -2.769 1.00 0.00 H new ATOM 0 HA SER A 64 -11.185 -3.269 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.267 -4.235 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.314 -5.181 -2.269 1.00 0.00 H new ATOM 0 HG SER A 64 -14.490 -4.855 -1.520 1.00 0.00 H new ATOM 818 N THR A 65 -9.747 -3.468 -3.429 1.00 0.00 N ATOM 819 CA THR A 65 -8.823 -3.440 -4.548 1.00 0.00 C ATOM 820 C THR A 65 -7.763 -4.525 -4.384 1.00 0.00 C ATOM 821 O THR A 65 -7.571 -5.056 -3.289 1.00 0.00 O ATOM 822 CB THR A 65 -8.156 -2.050 -4.688 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.466 -1.952 -5.943 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.183 -1.780 -3.545 1.00 0.00 C ATOM 0 H THR A 65 -9.367 -3.891 -2.582 1.00 0.00 H new ATOM 0 HA THR A 65 -9.389 -3.634 -5.459 1.00 0.00 H new ATOM 0 HB THR A 65 -8.946 -1.300 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.050 -1.068 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.733 -0.796 -3.675 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.719 -1.812 -2.596 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.401 -2.539 -3.546 1.00 0.00 H new ATOM 832 N SER A 66 -7.097 -4.870 -5.475 1.00 0.00 N ATOM 833 CA SER A 66 -6.065 -5.894 -5.444 1.00 0.00 C ATOM 834 C SER A 66 -4.726 -5.317 -5.903 1.00 0.00 C ATOM 835 O SER A 66 -4.680 -4.519 -6.838 1.00 0.00 O ATOM 836 CB SER A 66 -6.480 -7.061 -6.340 1.00 0.00 C ATOM 837 OG SER A 66 -7.820 -7.454 -6.084 1.00 0.00 O ATOM 0 H SER A 66 -7.253 -4.455 -6.394 1.00 0.00 H new ATOM 0 HA SER A 66 -5.947 -6.253 -4.421 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.376 -6.774 -7.386 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.812 -7.906 -6.173 1.00 0.00 H new ATOM 0 HG SER A 66 -8.060 -8.201 -6.672 1.00 0.00 H new ATOM 843 N LEU A 67 -3.642 -5.712 -5.238 1.00 0.00 N ATOM 844 CA LEU A 67 -2.309 -5.220 -5.580 1.00 0.00 C ATOM 845 C LEU A 67 -1.369 -6.372 -5.894 1.00 0.00 C ATOM 846 O LEU A 67 -1.443 -7.428 -5.274 1.00 0.00 O ATOM 847 CB LEU A 67 -1.718 -4.402 -4.423 1.00 0.00 C ATOM 848 CG LEU A 67 -2.302 -3.002 -4.211 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.504 -2.293 -5.538 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.603 -3.068 -3.429 1.00 0.00 C ATOM 0 H LEU A 67 -3.661 -6.371 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.412 -4.586 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.848 -4.970 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.645 -4.303 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.587 -2.425 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.920 -1.301 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.546 -2.199 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.191 -2.869 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.997 -2.061 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.327 -3.669 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.419 -3.521 -2.455 1.00 0.00 H new ATOM 862 N THR A 68 -0.487 -6.166 -6.855 1.00 0.00 N ATOM 863 CA THR A 68 0.483 -7.182 -7.223 1.00 0.00 C ATOM 864 C THR A 68 1.835 -6.839 -6.609 1.00 0.00 C ATOM 865 O THR A 68 2.477 -5.868 -7.005 1.00 0.00 O ATOM 866 CB THR A 68 0.624 -7.300 -8.751 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.666 -7.202 -9.375 1.00 0.00 O ATOM 868 CG2 THR A 68 1.266 -8.624 -9.129 1.00 0.00 C ATOM 0 H THR A 68 -0.422 -5.303 -7.396 1.00 0.00 H new ATOM 0 HA THR A 68 0.132 -8.141 -6.842 1.00 0.00 H new ATOM 0 HB THR A 68 1.260 -6.485 -9.098 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.566 -7.276 -10.347 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.357 -8.688 -10.213 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.256 -8.690 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.647 -9.445 -8.768 1.00 0.00 H new ATOM 876 N VAL A 69 2.255 -7.625 -5.631 1.00 0.00 N ATOM 877 CA VAL A 69 3.519 -7.376 -4.949 1.00 0.00 C ATOM 878 C VAL A 69 4.718 -7.852 -5.779 1.00 0.00 C ATOM 879 O VAL A 69 4.810 -9.020 -6.172 1.00 0.00 O ATOM 880 CB VAL A 69 3.545 -8.025 -3.539 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.322 -9.527 -3.620 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.854 -7.706 -2.828 1.00 0.00 C ATOM 0 H VAL A 69 1.743 -8.439 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 69 3.602 -6.296 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 69 2.727 -7.601 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.346 -9.953 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.352 -9.727 -4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.108 -9.979 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.854 -8.169 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.689 -8.094 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.957 -6.626 -2.722 1.00 0.00 H new ATOM 892 N ARG A 70 5.614 -6.920 -6.073 1.00 0.00 N ATOM 893 CA ARG A 70 6.820 -7.220 -6.829 1.00 0.00 C ATOM 894 C ARG A 70 7.973 -7.463 -5.866 1.00 0.00 C ATOM 895 O ARG A 70 7.909 -7.069 -4.700 1.00 0.00 O ATOM 896 CB ARG A 70 7.184 -6.062 -7.766 1.00 0.00 C ATOM 897 CG ARG A 70 6.015 -5.515 -8.569 1.00 0.00 C ATOM 898 CD ARG A 70 5.465 -6.543 -9.544 1.00 0.00 C ATOM 899 NE ARG A 70 4.384 -5.993 -10.358 1.00 0.00 N ATOM 900 CZ ARG A 70 3.629 -6.708 -11.186 1.00 0.00 C ATOM 901 NH1 ARG A 70 3.845 -8.011 -11.329 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.646 -6.117 -11.858 1.00 0.00 N ATOM 0 H ARG A 70 5.526 -5.942 -5.796 1.00 0.00 H new ATOM 0 HA ARG A 70 6.636 -8.110 -7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.613 -5.253 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.958 -6.398 -8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.223 -5.200 -7.889 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.335 -4.629 -9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.267 -6.894 -10.193 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.100 -7.409 -8.992 1.00 0.00 H new ATOM 0 HE ARG A 70 4.196 -4.993 -10.286 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.592 -8.465 -10.803 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.264 -8.557 -11.965 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.474 -5.119 -11.737 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.064 -6.662 -12.495 1.00 0.00 H new ATOM 916 N ARG A 71 9.023 -8.101 -6.357 1.00 0.00 N ATOM 917 CA ARG A 71 10.193 -8.393 -5.539 1.00 0.00 C ATOM 918 C ARG A 71 11.017 -7.125 -5.314 1.00 0.00 C ATOM 919 O ARG A 71 11.631 -6.946 -4.263 1.00 0.00 O ATOM 920 CB ARG A 71 11.044 -9.477 -6.209 1.00 0.00 C ATOM 921 CG ARG A 71 12.060 -10.128 -5.282 1.00 0.00 C ATOM 922 CD ARG A 71 11.411 -11.109 -4.316 1.00 0.00 C ATOM 923 NE ARG A 71 10.830 -12.260 -5.011 1.00 0.00 N ATOM 924 CZ ARG A 71 10.696 -13.475 -4.475 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.136 -13.723 -3.248 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.128 -14.445 -5.174 1.00 0.00 N ATOM 0 H ARG A 71 9.091 -8.428 -7.321 1.00 0.00 H new ATOM 0 HA ARG A 71 9.861 -8.761 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.384 -10.248 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.570 -9.039 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.810 -10.649 -5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.581 -9.355 -4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.154 -11.456 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.634 -10.598 -3.748 1.00 0.00 H new ATOM 0 HE ARG A 71 10.506 -12.124 -5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.581 -12.982 -2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.029 -14.655 -2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.794 -14.263 -6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.025 -15.374 -4.766 1.00 0.00 H new ATOM 940 N SER A 72 11.022 -6.250 -6.314 1.00 0.00 N ATOM 941 CA SER A 72 11.751 -4.989 -6.241 1.00 0.00 C ATOM 942 C SER A 72 10.899 -3.863 -6.821 1.00 0.00 C ATOM 943 O SER A 72 10.099 -4.096 -7.729 1.00 0.00 O ATOM 944 CB SER A 72 13.070 -5.102 -7.005 1.00 0.00 C ATOM 945 OG SER A 72 13.690 -6.358 -6.773 1.00 0.00 O ATOM 0 H SER A 72 10.524 -6.393 -7.193 1.00 0.00 H new ATOM 0 HA SER A 72 11.970 -4.763 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.888 -4.975 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.741 -4.300 -6.698 1.00 0.00 H new ATOM 0 HG SER A 72 13.934 -6.432 -5.827 1.00 0.00 H new ATOM 951 N PHE A 73 11.058 -2.647 -6.301 1.00 0.00 N ATOM 952 CA PHE A 73 10.279 -1.510 -6.780 1.00 0.00 C ATOM 953 C PHE A 73 10.888 -0.187 -6.327 1.00 0.00 C ATOM 954 O PHE A 73 11.819 -0.161 -5.526 1.00 0.00 O ATOM 955 CB PHE A 73 8.824 -1.620 -6.302 1.00 0.00 C ATOM 956 CG PHE A 73 8.663 -1.730 -4.809 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.938 -2.918 -4.156 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.225 -0.649 -4.062 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.780 -3.027 -2.790 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.067 -0.752 -2.695 1.00 0.00 C ATOM 961 CZ PHE A 73 8.345 -1.942 -2.058 1.00 0.00 C ATOM 0 H PHE A 73 11.715 -2.426 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 73 10.296 -1.529 -7.870 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.274 -0.746 -6.651 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.367 -2.492 -6.769 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.281 -3.771 -4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.004 0.286 -4.555 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.997 -3.962 -2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.726 0.099 -2.125 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.223 -2.025 -0.988 1.00 0.00 H new ATOM 971 N GLU A 74 10.363 0.907 -6.854 1.00 0.00 N ATOM 972 CA GLU A 74 10.847 2.235 -6.509 1.00 0.00 C ATOM 973 C GLU A 74 10.130 2.756 -5.273 1.00 0.00 C ATOM 974 O GLU A 74 9.035 2.305 -4.946 1.00 0.00 O ATOM 975 CB GLU A 74 10.637 3.207 -7.676 1.00 0.00 C ATOM 976 CG GLU A 74 11.194 2.711 -8.997 1.00 0.00 C ATOM 977 CD GLU A 74 10.129 2.077 -9.868 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.673 0.956 -9.548 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.740 2.697 -10.881 1.00 0.00 O ATOM 0 H GLU A 74 9.596 0.901 -7.527 1.00 0.00 H new ATOM 0 HA GLU A 74 11.914 2.163 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.570 3.396 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.105 4.160 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.650 3.544 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.984 1.985 -8.806 1.00 0.00 H new ATOM 986 N GLY A 75 10.750 3.705 -4.587 1.00 0.00 N ATOM 987 CA GLY A 75 10.147 4.270 -3.400 1.00 0.00 C ATOM 988 C GLY A 75 9.736 5.713 -3.606 1.00 0.00 C ATOM 989 O GLY A 75 10.568 6.560 -3.942 1.00 0.00 O ATOM 0 H GLY A 75 11.661 4.093 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.274 3.680 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.852 4.208 -2.571 1.00 0.00 H new ATOM 993 N PHE A 76 8.454 5.998 -3.414 1.00 0.00 N ATOM 994 CA PHE A 76 7.940 7.346 -3.589 1.00 0.00 C ATOM 995 C PHE A 76 7.234 7.805 -2.326 1.00 0.00 C ATOM 996 O PHE A 76 6.596 7.005 -1.640 1.00 0.00 O ATOM 997 CB PHE A 76 6.961 7.401 -4.762 1.00 0.00 C ATOM 998 CG PHE A 76 7.604 7.523 -6.121 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.371 6.493 -6.647 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.421 8.668 -6.882 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.943 6.606 -7.901 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.988 8.784 -8.137 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.750 7.752 -8.647 1.00 0.00 C ATOM 0 H PHE A 76 7.752 5.311 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 76 8.782 8.006 -3.796 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.347 6.501 -4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.290 8.247 -4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.523 5.593 -6.070 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.827 9.480 -6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.541 5.798 -8.297 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.835 9.681 -8.718 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.194 7.841 -9.627 1.00 0.00 H new ATOM 1013 N LEU A 77 7.355 9.085 -2.023 1.00 0.00 N ATOM 1014 CA LEU A 77 6.709 9.653 -0.856 1.00 0.00 C ATOM 1015 C LEU A 77 5.231 9.861 -1.153 1.00 0.00 C ATOM 1016 O LEU A 77 4.807 9.769 -2.305 1.00 0.00 O ATOM 1017 CB LEU A 77 7.360 10.988 -0.478 1.00 0.00 C ATOM 1018 CG LEU A 77 8.879 10.957 -0.293 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.426 12.372 -0.179 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.245 10.144 0.938 1.00 0.00 C ATOM 0 H LEU A 77 7.897 9.752 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 77 6.821 8.967 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.121 11.719 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.907 11.343 0.448 1.00 0.00 H new ATOM 0 HG LEU A 77 9.327 10.482 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.507 12.335 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.190 12.928 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.973 12.869 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.328 10.131 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.789 10.594 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.880 9.123 0.822 1.00 0.00 H new ATOM 1032 N PHE A 78 4.450 10.179 -0.132 1.00 0.00 N ATOM 1033 CA PHE A 78 3.017 10.384 -0.311 1.00 0.00 C ATOM 1034 C PHE A 78 2.721 11.722 -0.986 1.00 0.00 C ATOM 1035 O PHE A 78 1.561 12.117 -1.122 1.00 0.00 O ATOM 1036 CB PHE A 78 2.289 10.290 1.029 1.00 0.00 C ATOM 1037 CG PHE A 78 1.259 9.195 1.058 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.134 9.261 0.247 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.417 8.097 1.888 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.810 8.255 0.267 1.00 0.00 C ATOM 1041 CE2 PHE A 78 0.472 7.087 1.911 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.644 7.168 1.098 1.00 0.00 C ATOM 0 H PHE A 78 4.780 10.301 0.825 1.00 0.00 H new ATOM 0 HA PHE A 78 2.651 9.593 -0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.017 10.118 1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.805 11.243 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.004 10.109 -0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.287 8.029 2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.680 8.319 -0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.605 6.236 2.563 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.384 6.381 1.114 1.00 0.00 H new ATOM 1052 N ASP A 79 3.772 12.411 -1.404 1.00 0.00 N ATOM 1053 CA ASP A 79 3.631 13.692 -2.086 1.00 0.00 C ATOM 1054 C ASP A 79 3.771 13.501 -3.595 1.00 0.00 C ATOM 1055 O ASP A 79 3.330 14.339 -4.383 1.00 0.00 O ATOM 1056 CB ASP A 79 4.675 14.698 -1.590 1.00 0.00 C ATOM 1057 CG ASP A 79 5.981 14.612 -2.356 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.594 13.528 -2.376 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.400 15.632 -2.944 1.00 0.00 O ATOM 0 H ASP A 79 4.737 12.104 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 79 2.640 14.087 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.272 15.707 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.867 14.524 -0.531 1.00 0.00 H new ATOM 1064 N GLY A 80 4.385 12.387 -3.986 1.00 0.00 N ATOM 1065 CA GLY A 80 4.573 12.099 -5.395 1.00 0.00 C ATOM 1066 C GLY A 80 6.032 12.116 -5.819 1.00 0.00 C ATOM 1067 O GLY A 80 6.356 11.752 -6.949 1.00 0.00 O ATOM 0 H GLY A 80 4.755 11.680 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.147 11.121 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.021 12.830 -5.986 1.00 0.00 H new ATOM 1071 N THR A 81 6.913 12.538 -4.925 1.00 0.00 N ATOM 1072 CA THR A 81 8.337 12.595 -5.227 1.00 0.00 C ATOM 1073 C THR A 81 9.026 11.295 -4.812 1.00 0.00 C ATOM 1074 O THR A 81 8.673 10.697 -3.793 1.00 0.00 O ATOM 1075 CB THR A 81 9.000 13.789 -4.509 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.237 14.983 -4.739 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.429 14.005 -4.993 1.00 0.00 C ATOM 0 H THR A 81 6.668 12.846 -3.984 1.00 0.00 H new ATOM 0 HA THR A 81 8.448 12.727 -6.303 1.00 0.00 H new ATOM 0 HB THR A 81 9.027 13.563 -3.443 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.905 15.329 -3.884 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.867 14.853 -4.467 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.020 13.111 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.424 14.205 -6.064 1.00 0.00 H new ATOM 1085 N ARG A 82 9.992 10.855 -5.610 1.00 0.00 N ATOM 1086 CA ARG A 82 10.716 9.627 -5.313 1.00 0.00 C ATOM 1087 C ARG A 82 11.817 9.888 -4.297 1.00 0.00 C ATOM 1088 O ARG A 82 12.346 11.000 -4.206 1.00 0.00 O ATOM 1089 CB ARG A 82 11.303 9.011 -6.589 1.00 0.00 C ATOM 1090 CG ARG A 82 12.421 9.822 -7.218 1.00 0.00 C ATOM 1091 CD ARG A 82 12.675 9.390 -8.653 1.00 0.00 C ATOM 1092 NE ARG A 82 13.702 10.207 -9.294 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.184 9.975 -10.513 1.00 0.00 C ATOM 1094 NH1 ARG A 82 13.715 8.963 -11.235 1.00 0.00 N ATOM 1095 NH2 ARG A 82 15.120 10.765 -11.017 1.00 0.00 N ATOM 0 H ARG A 82 10.290 11.328 -6.463 1.00 0.00 H new ATOM 0 HA ARG A 82 10.009 8.916 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.679 8.014 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.504 8.888 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.163 10.881 -7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.333 9.703 -6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.981 8.344 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.748 9.459 -9.222 1.00 0.00 H new ATOM 0 HE ARG A 82 14.072 11.004 -8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.984 8.362 -10.856 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.086 8.788 -12.169 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.472 11.552 -10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.489 10.587 -11.951 1.00 0.00 H new ATOM 1109 N TRP A 83 12.145 8.860 -3.531 1.00 0.00 N ATOM 1110 CA TRP A 83 13.181 8.964 -2.518 1.00 0.00 C ATOM 1111 C TRP A 83 14.236 7.878 -2.723 1.00 0.00 C ATOM 1112 O TRP A 83 15.097 7.655 -1.870 1.00 0.00 O ATOM 1113 CB TRP A 83 12.556 8.859 -1.125 1.00 0.00 C ATOM 1114 CG TRP A 83 13.360 9.530 -0.054 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.047 8.922 0.958 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.557 10.939 0.116 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.659 9.864 1.746 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.373 11.110 1.250 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.125 12.072 -0.580 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.762 12.368 1.704 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.513 13.321 -0.129 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.325 13.459 1.003 1.00 0.00 C ATOM 0 H TRP A 83 11.707 7.941 -3.593 1.00 0.00 H new ATOM 0 HA TRP A 83 13.672 9.933 -2.608 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.559 9.300 -1.149 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.433 7.806 -0.870 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.101 7.855 1.115 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.233 9.669 2.566 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.499 11.974 -1.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.386 12.478 2.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.184 14.203 -0.658 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.613 14.447 1.330 1.00 0.00 H new ATOM 1133 N GLY A 84 14.165 7.201 -3.859 1.00 0.00 N ATOM 1134 CA GLY A 84 15.122 6.157 -4.155 1.00 0.00 C ATOM 1135 C GLY A 84 14.456 4.871 -4.591 1.00 0.00 C ATOM 1136 O GLY A 84 13.289 4.870 -4.987 1.00 0.00 O ATOM 0 H GLY A 84 13.461 7.356 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.796 6.498 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.732 5.966 -3.272 1.00 0.00 H new ATOM 1140 N THR A 85 15.197 3.776 -4.523 1.00 0.00 N ATOM 1141 CA THR A 85 14.685 2.473 -4.907 1.00 0.00 C ATOM 1142 C THR A 85 14.757 1.510 -3.726 1.00 0.00 C ATOM 1143 O THR A 85 15.662 1.606 -2.891 1.00 0.00 O ATOM 1144 CB THR A 85 15.485 1.896 -6.092 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.169 2.960 -6.773 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.564 1.178 -7.067 1.00 0.00 C ATOM 0 H THR A 85 16.165 3.767 -4.202 1.00 0.00 H new ATOM 0 HA THR A 85 13.646 2.595 -5.212 1.00 0.00 H new ATOM 0 HB THR A 85 16.209 1.178 -5.705 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.679 2.593 -7.525 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.150 0.779 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.057 0.360 -6.554 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.823 1.879 -7.452 1.00 0.00 H new ATOM 1154 N VAL A 86 13.808 0.591 -3.650 1.00 0.00 N ATOM 1155 CA VAL A 86 13.768 -0.367 -2.561 1.00 0.00 C ATOM 1156 C VAL A 86 13.657 -1.793 -3.092 1.00 0.00 C ATOM 1157 O VAL A 86 13.330 -2.012 -4.263 1.00 0.00 O ATOM 1158 CB VAL A 86 12.601 -0.080 -1.593 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.883 1.158 -0.753 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.296 0.086 -2.353 1.00 0.00 C ATOM 0 H VAL A 86 13.055 0.489 -4.331 1.00 0.00 H new ATOM 0 HA VAL A 86 14.703 -0.264 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 86 12.505 -0.935 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.046 1.339 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.791 1.003 -0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.015 2.020 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.488 0.287 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.385 0.918 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.077 -0.828 -2.904 1.00 0.00 H new ATOM 1170 N ASP A 87 13.925 -2.756 -2.231 1.00 0.00 N ATOM 1171 CA ASP A 87 13.872 -4.159 -2.615 1.00 0.00 C ATOM 1172 C ASP A 87 13.308 -5.005 -1.483 1.00 0.00 C ATOM 1173 O ASP A 87 13.547 -4.718 -0.312 1.00 0.00 O ATOM 1174 CB ASP A 87 15.274 -4.648 -2.991 1.00 0.00 C ATOM 1175 CG ASP A 87 15.312 -6.123 -3.317 1.00 0.00 C ATOM 1176 OD1 ASP A 87 14.970 -6.497 -4.456 1.00 0.00 O ATOM 1177 OD2 ASP A 87 15.691 -6.921 -2.434 1.00 0.00 O ATOM 0 H ASP A 87 14.183 -2.595 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 87 13.214 -4.259 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.633 -4.081 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.958 -4.445 -2.167 1.00 0.00 H new ATOM 1182 N CYS A 88 12.559 -6.042 -1.832 1.00 0.00 N ATOM 1183 CA CYS A 88 11.961 -6.914 -0.832 1.00 0.00 C ATOM 1184 C CYS A 88 12.503 -8.336 -0.935 1.00 0.00 C ATOM 1185 O CYS A 88 11.928 -9.273 -0.378 1.00 0.00 O ATOM 1186 CB CYS A 88 10.439 -6.912 -0.977 1.00 0.00 C ATOM 1187 SG CYS A 88 9.672 -5.295 -0.624 1.00 0.00 S ATOM 0 H CYS A 88 12.352 -6.299 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 88 12.227 -6.529 0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.179 -7.214 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.018 -7.659 -0.304 1.00 0.00 H new ATOM 1192 N THR A 89 13.618 -8.499 -1.639 1.00 0.00 N ATOM 1193 CA THR A 89 14.228 -9.809 -1.785 1.00 0.00 C ATOM 1194 C THR A 89 15.018 -10.152 -0.528 1.00 0.00 C ATOM 1195 O THR A 89 14.899 -11.250 0.018 1.00 0.00 O ATOM 1196 CB THR A 89 15.170 -9.873 -3.006 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.628 -9.109 -4.092 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.377 -11.314 -3.455 1.00 0.00 C ATOM 0 H THR A 89 14.113 -7.744 -2.113 1.00 0.00 H new ATOM 0 HA THR A 89 13.424 -10.529 -1.937 1.00 0.00 H new ATOM 0 HB THR A 89 16.132 -9.453 -2.712 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.181 -8.313 -4.240 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.044 -11.334 -4.317 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.818 -11.889 -2.641 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.417 -11.751 -3.729 1.00 0.00 H new ATOM 1206 N THR A 90 15.812 -9.196 -0.067 1.00 0.00 N ATOM 1207 CA THR A 90 16.621 -9.380 1.126 1.00 0.00 C ATOM 1208 C THR A 90 16.100 -8.499 2.264 1.00 0.00 C ATOM 1209 O THR A 90 16.695 -8.430 3.340 1.00 0.00 O ATOM 1210 CB THR A 90 18.109 -9.062 0.843 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.940 -9.611 1.872 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.344 -7.559 0.746 1.00 0.00 C ATOM 0 H THR A 90 15.912 -8.280 -0.505 1.00 0.00 H new ATOM 0 HA THR A 90 16.547 -10.425 1.426 1.00 0.00 H new ATOM 0 HB THR A 90 18.368 -9.516 -0.114 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.534 -9.439 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.398 -7.368 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.741 -7.148 -0.064 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.061 -7.085 1.686 1.00 0.00 H new ATOM 1220 N ALA A 91 14.980 -7.834 2.022 1.00 0.00 N ATOM 1221 CA ALA A 91 14.388 -6.954 3.016 1.00 0.00 C ATOM 1222 C ALA A 91 12.917 -7.288 3.223 1.00 0.00 C ATOM 1223 O ALA A 91 12.346 -8.094 2.485 1.00 0.00 O ATOM 1224 CB ALA A 91 14.551 -5.500 2.603 1.00 0.00 C ATOM 0 H ALA A 91 14.463 -7.888 1.144 1.00 0.00 H new ATOM 0 HA ALA A 91 14.909 -7.106 3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.102 -4.855 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.611 -5.265 2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.057 -5.336 1.646 1.00 0.00 H new ATOM 1230 N ALA A 92 12.311 -6.668 4.222 1.00 0.00 N ATOM 1231 CA ALA A 92 10.910 -6.903 4.529 1.00 0.00 C ATOM 1232 C ALA A 92 10.005 -6.065 3.634 1.00 0.00 C ATOM 1233 O ALA A 92 10.334 -4.928 3.295 1.00 0.00 O ATOM 1234 CB ALA A 92 10.633 -6.583 5.989 1.00 0.00 C ATOM 0 H ALA A 92 12.770 -5.995 4.836 1.00 0.00 H new ATOM 0 HA ALA A 92 10.696 -7.956 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.580 -6.763 6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.249 -7.219 6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.871 -5.537 6.184 1.00 0.00 H new ATOM 1240 N CYS A 93 8.869 -6.626 3.258 1.00 0.00 N ATOM 1241 CA CYS A 93 7.909 -5.933 2.410 1.00 0.00 C ATOM 1242 C CYS A 93 6.599 -5.744 3.164 1.00 0.00 C ATOM 1243 O CYS A 93 6.236 -6.575 3.992 1.00 0.00 O ATOM 1244 CB CYS A 93 7.662 -6.728 1.127 1.00 0.00 C ATOM 1245 SG CYS A 93 7.701 -5.721 -0.390 1.00 0.00 S ATOM 0 H CYS A 93 8.585 -7.568 3.528 1.00 0.00 H new ATOM 0 HA CYS A 93 8.315 -4.957 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.414 -7.513 1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.692 -7.221 1.198 1.00 0.00 H new ATOM 1250 N GLN A 94 5.896 -4.654 2.892 1.00 0.00 N ATOM 1251 CA GLN A 94 4.627 -4.387 3.562 1.00 0.00 C ATOM 1252 C GLN A 94 3.690 -3.626 2.639 1.00 0.00 C ATOM 1253 O GLN A 94 4.128 -3.022 1.658 1.00 0.00 O ATOM 1254 CB GLN A 94 4.831 -3.612 4.873 1.00 0.00 C ATOM 1255 CG GLN A 94 5.598 -2.304 4.725 1.00 0.00 C ATOM 1256 CD GLN A 94 7.052 -2.434 5.138 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.383 -2.357 6.322 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.931 -2.603 4.167 1.00 0.00 N ATOM 0 H GLN A 94 6.178 -3.943 2.217 1.00 0.00 H new ATOM 0 HA GLN A 94 4.177 -5.348 3.811 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.855 -3.398 5.309 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.362 -4.251 5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.546 -1.971 3.688 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.119 -1.535 5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.616 -2.662 3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.925 -2.675 4.385 1.00 0.00 H new ATOM 1267 N VAL A 95 2.404 -3.669 2.941 1.00 0.00 N ATOM 1268 CA VAL A 95 1.412 -2.980 2.132 1.00 0.00 C ATOM 1269 C VAL A 95 0.995 -1.677 2.798 1.00 0.00 C ATOM 1270 O VAL A 95 0.639 -1.658 3.977 1.00 0.00 O ATOM 1271 CB VAL A 95 0.165 -3.860 1.891 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.809 -3.179 0.938 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.569 -5.228 1.364 1.00 0.00 C ATOM 0 H VAL A 95 2.022 -4.174 3.741 1.00 0.00 H new ATOM 0 HA VAL A 95 1.871 -2.765 1.167 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.342 -3.997 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.677 -3.820 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.130 -2.228 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.318 -3.001 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.323 -5.833 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.106 -5.111 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.214 -5.722 2.091 1.00 0.00 H new ATOM 1283 N GLY A 96 1.051 -0.590 2.046 1.00 0.00 N ATOM 1284 CA GLY A 96 0.676 0.699 2.579 1.00 0.00 C ATOM 1285 C GLY A 96 -0.756 1.049 2.254 1.00 0.00 C ATOM 1286 O GLY A 96 -1.117 1.186 1.088 1.00 0.00 O ATOM 0 H GLY A 96 1.351 -0.579 1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.813 0.698 3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.337 1.465 2.175 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.575 1.182 3.285 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.981 1.511 3.104 1.00 0.00 C ATOM 1292 C LEU A 97 -3.298 2.847 3.759 1.00 0.00 C ATOM 1293 O LEU A 97 -3.397 2.931 4.982 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.868 0.420 3.712 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.386 -1.017 3.498 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -2.654 -1.520 4.729 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.556 -1.925 3.177 1.00 0.00 C ATOM 0 H LEU A 97 -1.290 1.067 4.258 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.182 1.578 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.953 0.600 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.870 0.515 3.293 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.696 -1.026 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.318 -2.543 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.792 -0.883 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.326 -1.496 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.196 -2.943 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.267 -1.909 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.048 -1.577 2.269 1.00 0.00 H new ATOM 1309 N SER A 98 -3.426 3.899 2.962 1.00 0.00 N ATOM 1310 CA SER A 98 -3.733 5.216 3.501 1.00 0.00 C ATOM 1311 C SER A 98 -4.456 6.077 2.466 1.00 0.00 C ATOM 1312 O SER A 98 -4.429 5.786 1.269 1.00 0.00 O ATOM 1313 CB SER A 98 -2.448 5.909 3.976 1.00 0.00 C ATOM 1314 OG SER A 98 -1.803 5.151 4.992 1.00 0.00 O ATOM 0 H SER A 98 -3.323 3.867 1.948 1.00 0.00 H new ATOM 0 HA SER A 98 -4.398 5.089 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.771 6.043 3.133 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.686 6.903 4.355 1.00 0.00 H new ATOM 0 HG SER A 98 -0.987 5.613 5.276 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.123 7.115 2.945 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.859 8.028 2.084 1.00 0.00 C ATOM 1322 C ASP A 99 -4.908 9.017 1.418 1.00 0.00 C ATOM 1323 O ASP A 99 -3.696 8.942 1.611 1.00 0.00 O ATOM 1324 CB ASP A 99 -6.930 8.778 2.889 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.410 10.054 3.527 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.499 9.976 4.378 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.903 11.144 3.163 1.00 0.00 O ATOM 0 H ASP A 99 -5.170 7.348 3.937 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.353 7.445 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.766 9.021 2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.317 8.121 3.668 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.468 9.945 0.648 1.00 0.00 N ATOM 1333 CA ALA A 100 -4.681 10.956 -0.051 1.00 0.00 C ATOM 1334 C ALA A 100 -3.810 11.764 0.915 1.00 0.00 C ATOM 1335 O ALA A 100 -2.727 12.224 0.545 1.00 0.00 O ATOM 1336 CB ALA A 100 -5.597 11.884 -0.832 1.00 0.00 C ATOM 0 H ALA A 100 -6.473 10.018 0.491 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.016 10.439 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.999 12.634 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.165 11.306 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.285 12.378 -0.146 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.285 11.934 2.144 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.537 12.675 3.148 1.00 0.00 C ATOM 1344 C ALA A 101 -2.452 11.800 3.762 1.00 0.00 C ATOM 1345 O ALA A 101 -1.297 12.212 3.869 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.465 13.206 4.232 1.00 0.00 C ATOM 0 H ALA A 101 -5.181 11.570 2.466 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.062 13.524 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.883 13.756 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.205 13.870 3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.972 12.372 4.717 1.00 0.00 H new ATOM 1352 N GLY A 102 -2.829 10.591 4.164 1.00 0.00 N ATOM 1353 CA GLY A 102 -1.875 9.673 4.759 1.00 0.00 C ATOM 1354 C GLY A 102 -2.417 8.981 5.998 1.00 0.00 C ATOM 1355 O GLY A 102 -1.650 8.519 6.843 1.00 0.00 O ATOM 0 H GLY A 102 -3.780 10.230 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.594 8.921 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.968 10.218 5.020 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.737 8.903 6.112 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.370 8.256 7.258 1.00 0.00 C ATOM 1361 C ASN A 103 -5.144 7.023 6.817 1.00 0.00 C ATOM 1362 O ASN A 103 -5.425 6.847 5.633 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.308 9.225 7.983 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.605 10.008 9.074 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.577 9.595 10.235 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.037 11.145 8.709 1.00 0.00 N ATOM 0 H ASN A 103 -4.391 9.279 5.426 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.582 7.952 7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.736 9.920 7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.137 8.666 8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.552 11.717 9.400 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.084 11.450 7.737 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.474 6.171 7.771 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.214 4.968 7.467 1.00 0.00 C ATOM 1375 C GLY A 104 -5.735 3.798 8.297 1.00 0.00 C ATOM 1376 O GLY A 104 -5.136 4.002 9.356 1.00 0.00 O ATOM 0 H GLY A 104 -5.241 6.292 8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.275 5.136 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.108 4.732 6.408 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.988 2.558 7.854 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.559 1.361 8.576 1.00 0.00 C ATOM 1382 C PRO A 105 -4.038 1.222 8.589 1.00 0.00 C ATOM 1383 O PRO A 105 -3.344 1.796 7.744 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.203 0.208 7.796 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.470 0.758 6.437 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.715 2.231 6.617 1.00 0.00 C ATOM 0 HA PRO A 105 -5.857 1.386 9.624 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.539 -0.655 7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.124 -0.125 8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.623 0.583 5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.335 0.273 5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.341 2.805 5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.779 2.452 6.708 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.524 0.474 9.551 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.086 0.275 9.671 1.00 0.00 C ATOM 1396 C GLU A 106 -1.595 -0.741 8.643 1.00 0.00 C ATOM 1397 O GLU A 106 -2.294 -1.707 8.326 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.721 -0.163 11.093 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.993 0.911 12.133 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.351 0.613 13.469 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.138 0.861 13.619 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -2.057 0.131 14.380 1.00 0.00 O ATOM 0 H GLU A 106 -4.079 -0.006 10.260 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.588 1.224 9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.287 -1.059 11.348 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.665 -0.433 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.625 1.868 11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.070 1.014 12.268 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.401 -0.505 8.114 1.00 0.00 N ATOM 1410 CA GLY A 107 0.166 -1.392 7.117 1.00 0.00 C ATOM 1411 C GLY A 107 0.604 -2.729 7.684 1.00 0.00 C ATOM 1412 O GLY A 107 1.156 -2.800 8.784 1.00 0.00 O ATOM 0 H GLY A 107 0.188 0.291 8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.570 -1.562 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.023 -0.904 6.652 1.00 0.00 H new ATOM 1416 N VAL A 108 0.362 -3.787 6.926 1.00 0.00 N ATOM 1417 CA VAL A 108 0.730 -5.134 7.337 1.00 0.00 C ATOM 1418 C VAL A 108 1.936 -5.617 6.542 1.00 0.00 C ATOM 1419 O VAL A 108 2.003 -5.428 5.324 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.448 -6.122 7.152 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.029 -7.548 7.491 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.636 -5.701 8.006 1.00 0.00 C ATOM 0 H VAL A 108 -0.092 -3.738 6.014 1.00 0.00 H new ATOM 0 HA VAL A 108 0.984 -5.100 8.396 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.744 -6.098 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.877 -8.219 7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.787 -7.853 6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.303 -7.593 8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.455 -6.406 7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.344 -5.691 9.056 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.961 -4.703 7.711 1.00 0.00 H new ATOM 1432 N ALA A 109 2.895 -6.222 7.235 1.00 0.00 N ATOM 1433 CA ALA A 109 4.098 -6.731 6.598 1.00 0.00 C ATOM 1434 C ALA A 109 3.868 -8.133 6.058 1.00 0.00 C ATOM 1435 O ALA A 109 3.165 -8.938 6.668 1.00 0.00 O ATOM 1436 CB ALA A 109 5.261 -6.720 7.578 1.00 0.00 C ATOM 0 H ALA A 109 2.859 -6.371 8.243 1.00 0.00 H new ATOM 0 HA ALA A 109 4.345 -6.080 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.155 -7.104 7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.443 -5.700 7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.020 -7.348 8.435 1.00 0.00 H new ATOM 1442 N ILE A 110 4.467 -8.415 4.916 1.00 0.00 N ATOM 1443 CA ILE A 110 4.340 -9.711 4.271 1.00 0.00 C ATOM 1444 C ILE A 110 5.721 -10.305 4.029 1.00 0.00 C ATOM 1445 O ILE A 110 6.734 -9.635 4.250 1.00 0.00 O ATOM 1446 CB ILE A 110 3.584 -9.606 2.927 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.275 -8.606 1.990 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.132 -9.209 3.167 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.676 -8.552 0.601 1.00 0.00 C ATOM 0 H ILE A 110 5.055 -7.754 4.409 1.00 0.00 H new ATOM 0 HA ILE A 110 3.766 -10.358 4.935 1.00 0.00 H new ATOM 0 HB ILE A 110 3.599 -10.583 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.226 -7.612 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.330 -8.867 1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.611 -9.139 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.647 -9.961 3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.097 -8.243 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.218 -7.823 -0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.750 -9.534 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.628 -8.260 0.668 1.00 0.00 H new ATOM 1461 N SER A 111 5.771 -11.553 3.588 1.00 0.00 N ATOM 1462 CA SER A 111 7.041 -12.213 3.324 1.00 0.00 C ATOM 1463 C SER A 111 6.869 -13.314 2.282 1.00 0.00 C ATOM 1464 O SER A 111 5.856 -14.020 2.268 1.00 0.00 O ATOM 1465 CB SER A 111 7.623 -12.803 4.614 1.00 0.00 C ATOM 1466 OG SER A 111 7.733 -11.815 5.628 1.00 0.00 O ATOM 0 H SER A 111 4.949 -12.128 3.406 1.00 0.00 H new ATOM 0 HA SER A 111 7.734 -11.466 2.936 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.988 -13.617 4.963 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.605 -13.230 4.411 1.00 0.00 H new ATOM 0 HG SER A 111 8.105 -12.219 6.439 1.00 0.00 H new ATOM 1472 N PHE A 112 7.858 -13.443 1.411 1.00 0.00 N ATOM 1473 CA PHE A 112 7.838 -14.455 0.371 1.00 0.00 C ATOM 1474 C PHE A 112 8.427 -15.753 0.908 1.00 0.00 C ATOM 1475 O PHE A 112 9.105 -15.752 1.941 1.00 0.00 O ATOM 1476 CB PHE A 112 8.632 -13.983 -0.852 1.00 0.00 C ATOM 1477 CG PHE A 112 8.271 -12.597 -1.321 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.015 -12.330 -1.836 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.193 -11.568 -1.254 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.685 -11.061 -2.276 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.869 -10.297 -1.690 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.613 -10.044 -2.202 1.00 0.00 C ATOM 0 H PHE A 112 8.690 -12.853 1.406 1.00 0.00 H new ATOM 0 HA PHE A 112 6.806 -14.627 0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.695 -14.009 -0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.471 -14.685 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.283 -13.122 -1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.178 -11.760 -0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.701 -10.867 -2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.598 -9.503 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.357 -9.052 -2.544 1.00 0.00 H new ATOM 1492 N ASN A 113 8.166 -16.854 0.220 1.00 0.00 N ATOM 1493 CA ASN A 113 8.680 -18.151 0.645 1.00 0.00 C ATOM 1494 C ASN A 113 10.149 -18.277 0.272 1.00 0.00 C ATOM 1495 O ASN A 113 10.888 -18.962 1.007 1.00 0.00 O ATOM 1496 CB ASN A 113 7.880 -19.313 0.035 1.00 0.00 C ATOM 1497 CG ASN A 113 7.840 -19.289 -1.481 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.787 -19.699 -2.154 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.721 -18.840 -2.027 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.561 -17.674 -0.739 1.00 0.00 O ATOM 0 H ASN A 113 7.604 -16.878 -0.631 1.00 0.00 H new ATOM 0 HA ASN A 113 8.572 -18.210 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.316 -20.256 0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.860 -19.282 0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.619 -18.825 -3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.961 -18.509 -1.433 1.00 0.00 H new