USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=22 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 12 TYR OH : rot 68:sc= 1.21 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.371 K(o=2,f=0.21!) USER MOD Set 1.3: A 40 TYR OH : rot -100:sc= 1.12 USER MOD Set 2.1: A 13 ASN : amide:sc=-0.00947 X(o=-0.0095,f=0) USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 3 THR OG1 : rot -5:sc= 1.78 USER MOD Set 3.2: A 44 THR OG1 : rot 75:sc= 1.14 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc=-0.00427 (180deg=-0.0807) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.487 USER MOD Single : A 25 GLN : amide:sc= -0.845 K(o=-0.85,f=-3.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.317 K(o=-0.32,f=-2.9!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.896 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0617 USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0292) USER MOD Single : A 65 MET CE :methyl -155:sc= 0 (180deg=-0.186) USER MOD Single : A 66 ASN : amide:sc= 0.563 K(o=0.56,f=-4!) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0336) USER MOD Single : A 70 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-5.3!) USER MOD Single : A 72 SER OG : rot -13:sc= 1.04 USER MOD Single : A 75 SER OG : rot 90:sc= 1.21 USER MOD Single : A 76 ASN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.95 K(o=-0.95,f=-0.00057) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0746 USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.21) USER MOD Single : A 86 ASN : amide:sc= -0.23 K(o=-0.23,f=-6.2!) USER MOD Single : A 93 TYR OH : rot 40:sc= -1.88! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.233 -1.240 2.689 1.00 0.00 N ATOM 21 CA PHE A 2 -9.538 -1.870 2.806 1.00 0.00 C ATOM 22 C PHE A 2 -10.642 -0.838 2.604 1.00 0.00 C ATOM 23 O PHE A 2 -10.793 0.082 3.408 1.00 0.00 O ATOM 24 CB PHE A 2 -9.690 -2.521 4.183 1.00 0.00 C ATOM 25 CG PHE A 2 -8.591 -3.490 4.530 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.530 -4.737 3.931 1.00 0.00 C ATOM 27 CD2 PHE A 2 -7.618 -3.148 5.456 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.522 -5.627 4.251 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.607 -4.033 5.778 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.560 -5.274 5.175 1.00 0.00 C ATOM 0 HA PHE A 2 -9.621 -2.638 2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.723 -1.739 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.646 -3.043 4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.279 -5.018 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.650 -2.179 5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.487 -6.597 3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.854 -3.754 6.501 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.771 -5.968 5.426 1.00 0.00 H new ATOM 40 N THR A 3 -11.405 -0.984 1.532 1.00 0.00 N ATOM 41 CA THR A 3 -12.498 -0.065 1.259 1.00 0.00 C ATOM 42 C THR A 3 -13.848 -0.758 1.424 1.00 0.00 C ATOM 43 O THR A 3 -14.117 -1.782 0.794 1.00 0.00 O ATOM 44 CB THR A 3 -12.391 0.561 -0.150 1.00 0.00 C ATOM 45 OG1 THR A 3 -12.146 -0.449 -1.137 1.00 0.00 O ATOM 46 CG2 THR A 3 -11.280 1.598 -0.197 1.00 0.00 C ATOM 0 H THR A 3 -11.289 -1.725 0.841 1.00 0.00 H new ATOM 0 HA THR A 3 -12.423 0.742 1.988 1.00 0.00 H new ATOM 0 HB THR A 3 -13.341 1.049 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.022 -1.315 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.223 2.025 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.490 2.389 0.524 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.330 1.125 0.050 1.00 0.00 H new ATOM 54 N ALA A 4 -14.677 -0.203 2.295 1.00 0.00 N ATOM 55 CA ALA A 4 -16.000 -0.749 2.551 1.00 0.00 C ATOM 56 C ALA A 4 -17.068 0.154 1.958 1.00 0.00 C ATOM 57 O ALA A 4 -17.080 1.360 2.208 1.00 0.00 O ATOM 58 CB ALA A 4 -16.223 -0.913 4.045 1.00 0.00 C ATOM 0 H ALA A 4 -14.454 0.630 2.839 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.068 -1.728 2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.218 -1.323 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.473 -1.591 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.138 0.057 4.534 1.00 0.00 H new ATOM 64 N LYS A 5 -17.952 -0.423 1.165 1.00 0.00 N ATOM 65 CA LYS A 5 -19.013 0.339 0.534 1.00 0.00 C ATOM 66 C LYS A 5 -20.380 -0.205 0.935 1.00 0.00 C ATOM 67 O LYS A 5 -20.698 -1.369 0.677 1.00 0.00 O ATOM 68 CB LYS A 5 -18.835 0.311 -0.987 1.00 0.00 C ATOM 69 CG LYS A 5 -19.935 1.022 -1.763 1.00 0.00 C ATOM 70 CD LYS A 5 -19.561 1.195 -3.230 1.00 0.00 C ATOM 71 CE LYS A 5 -19.165 -0.127 -3.869 1.00 0.00 C ATOM 72 NZ LYS A 5 -18.769 0.032 -5.295 1.00 0.00 N ATOM 0 H LYS A 5 -17.956 -1.418 0.943 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.957 1.373 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.878 0.768 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -18.788 -0.727 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.861 0.453 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.124 1.998 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.404 1.623 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.735 1.902 -3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.337 -0.564 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.999 -0.825 -3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.508 -0.895 -5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.566 0.425 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.956 0.677 -5.360 1.00 0.00 H new ATOM 86 N LEU A 6 -21.171 0.639 1.591 1.00 0.00 N ATOM 87 CA LEU A 6 -22.534 0.284 1.971 1.00 0.00 C ATOM 88 C LEU A 6 -23.377 0.133 0.709 1.00 0.00 C ATOM 89 O LEU A 6 -23.404 1.027 -0.139 1.00 0.00 O ATOM 90 CB LEU A 6 -23.112 1.365 2.909 1.00 0.00 C ATOM 91 CG LEU A 6 -24.451 1.047 3.601 1.00 0.00 C ATOM 92 CD1 LEU A 6 -25.626 1.221 2.653 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.443 -0.359 4.177 1.00 0.00 C ATOM 0 H LEU A 6 -20.889 1.578 1.872 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.542 -0.664 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.372 1.573 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.238 2.282 2.333 1.00 0.00 H new ATOM 0 HG LEU A 6 -24.570 1.759 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -26.553 0.988 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -25.658 2.251 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.510 0.549 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.399 -0.560 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.283 -1.080 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.641 -0.448 4.909 1.00 0.00 H new ATOM 105 N ILE A 7 -24.045 -1.005 0.573 1.00 0.00 N ATOM 106 CA ILE A 7 -24.797 -1.296 -0.642 1.00 0.00 C ATOM 107 C ILE A 7 -26.293 -1.436 -0.368 1.00 0.00 C ATOM 108 O ILE A 7 -27.125 -1.083 -1.206 1.00 0.00 O ATOM 109 CB ILE A 7 -24.282 -2.582 -1.326 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.519 -3.807 -0.435 1.00 0.00 C ATOM 111 CG2 ILE A 7 -22.805 -2.434 -1.648 1.00 0.00 C ATOM 112 CD1 ILE A 7 -24.433 -5.127 -1.171 1.00 0.00 C ATOM 0 H ILE A 7 -24.082 -1.737 1.282 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.644 -0.448 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 7 -24.835 -2.731 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.787 -3.804 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.503 -3.723 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.445 -3.343 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.662 -1.586 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.247 -2.267 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.612 -5.945 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -25.184 -5.153 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -23.441 -5.235 -1.610 1.00 0.00 H new ATOM 124 N LYS A 8 -26.634 -1.946 0.804 1.00 0.00 N ATOM 125 CA LYS A 8 -28.022 -2.194 1.152 1.00 0.00 C ATOM 126 C LYS A 8 -28.449 -1.243 2.259 1.00 0.00 C ATOM 127 O LYS A 8 -28.089 -1.429 3.422 1.00 0.00 O ATOM 128 CB LYS A 8 -28.188 -3.647 1.600 1.00 0.00 C ATOM 129 CG LYS A 8 -29.625 -4.095 1.820 1.00 0.00 C ATOM 130 CD LYS A 8 -29.664 -5.532 2.321 1.00 0.00 C ATOM 131 CE LYS A 8 -31.082 -6.025 2.562 1.00 0.00 C ATOM 132 NZ LYS A 8 -31.879 -6.073 1.308 1.00 0.00 N ATOM 0 H LYS A 8 -25.965 -2.197 1.532 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.654 -2.022 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.732 -4.296 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -27.633 -3.791 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -30.110 -3.438 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -30.185 -4.013 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -29.176 -6.181 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.094 -5.606 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -31.049 -7.019 3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -31.576 -5.370 3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -32.783 -6.555 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -32.063 -5.105 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -31.349 -6.593 0.580 1.00 0.00 H new ATOM 146 N GLY A 9 -29.186 -0.208 1.888 1.00 0.00 N ATOM 147 CA GLY A 9 -29.622 0.769 2.858 1.00 0.00 C ATOM 148 C GLY A 9 -29.571 2.182 2.317 1.00 0.00 C ATOM 149 O GLY A 9 -30.218 2.491 1.316 1.00 0.00 O ATOM 0 H GLY A 9 -29.490 -0.028 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.641 0.539 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -28.994 0.700 3.746 1.00 0.00 H new ATOM 153 N LYS A 10 -28.770 3.028 2.953 1.00 0.00 N ATOM 154 CA LYS A 10 -28.729 4.445 2.624 1.00 0.00 C ATOM 155 C LYS A 10 -27.657 5.127 3.463 1.00 0.00 C ATOM 156 O LYS A 10 -26.645 5.589 2.941 1.00 0.00 O ATOM 157 CB LYS A 10 -30.095 5.084 2.895 1.00 0.00 C ATOM 158 CG LYS A 10 -30.281 6.459 2.274 1.00 0.00 C ATOM 159 CD LYS A 10 -31.652 7.017 2.610 1.00 0.00 C ATOM 160 CE LYS A 10 -31.948 8.302 1.859 1.00 0.00 C ATOM 161 NZ LYS A 10 -33.264 8.865 2.259 1.00 0.00 N ATOM 0 H LYS A 10 -28.137 2.754 3.704 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.490 4.565 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.874 4.421 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.238 5.163 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -29.508 7.136 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -30.164 6.394 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -32.413 6.275 2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -31.714 7.202 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -31.162 9.031 2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -31.942 8.109 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -33.441 9.743 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -34.015 8.177 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -33.258 9.070 3.279 1.00 0.00 H new ATOM 175 N THR A 11 -27.880 5.160 4.770 1.00 0.00 N ATOM 176 CA THR A 11 -26.920 5.724 5.704 1.00 0.00 C ATOM 177 C THR A 11 -26.815 4.829 6.938 1.00 0.00 C ATOM 178 O THR A 11 -27.818 4.549 7.598 1.00 0.00 O ATOM 179 CB THR A 11 -27.325 7.150 6.130 1.00 0.00 C ATOM 180 OG1 THR A 11 -27.707 7.915 4.978 1.00 0.00 O ATOM 181 CG2 THR A 11 -26.173 7.850 6.835 1.00 0.00 C ATOM 0 H THR A 11 -28.727 4.798 5.209 1.00 0.00 H new ATOM 0 HA THR A 11 -25.953 5.780 5.205 1.00 0.00 H new ATOM 0 HB THR A 11 -28.167 7.073 6.818 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.964 8.819 5.256 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.481 8.854 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.892 7.284 7.723 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.319 7.914 6.161 1.00 0.00 H new ATOM 189 N TYR A 12 -25.607 4.371 7.235 1.00 0.00 N ATOM 190 CA TYR A 12 -25.387 3.436 8.330 1.00 0.00 C ATOM 191 C TYR A 12 -24.295 3.969 9.254 1.00 0.00 C ATOM 192 O TYR A 12 -23.371 4.633 8.799 1.00 0.00 O ATOM 193 CB TYR A 12 -24.989 2.074 7.757 1.00 0.00 C ATOM 194 CG TYR A 12 -25.149 0.921 8.722 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.390 0.333 8.923 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.061 0.413 9.418 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.544 -0.728 9.791 1.00 0.00 C ATOM 198 CE2 TYR A 12 -24.208 -0.648 10.290 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.450 -1.214 10.472 1.00 0.00 C ATOM 200 OH TYR A 12 -25.596 -2.277 11.332 1.00 0.00 O ATOM 0 H TYR A 12 -24.760 4.633 6.730 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.304 3.324 8.909 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -25.591 1.876 6.870 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -23.949 2.119 7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.250 0.713 8.391 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -23.085 0.854 9.276 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -27.517 -1.175 9.936 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.353 -1.032 10.827 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.808 -3.085 10.820 1.00 0.00 H new ATOM 210 N ASN A 13 -24.401 3.691 10.546 1.00 0.00 N ATOM 211 CA ASN A 13 -23.428 4.196 11.509 1.00 0.00 C ATOM 212 C ASN A 13 -22.730 3.044 12.217 1.00 0.00 C ATOM 213 O ASN A 13 -23.370 2.258 12.917 1.00 0.00 O ATOM 214 CB ASN A 13 -24.108 5.089 12.553 1.00 0.00 C ATOM 215 CG ASN A 13 -25.060 6.101 11.944 1.00 0.00 C ATOM 216 OD1 ASN A 13 -24.673 7.220 11.600 1.00 0.00 O ATOM 217 ND2 ASN A 13 -26.317 5.709 11.813 1.00 0.00 N ATOM 0 H ASN A 13 -25.145 3.123 10.951 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.692 4.784 10.960 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.656 4.462 13.257 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.344 5.616 13.124 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -27.010 6.342 11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -26.593 4.773 12.111 1.00 0.00 H new ATOM 224 N VAL A 14 -21.420 2.940 12.035 1.00 0.00 N ATOM 225 CA VAL A 14 -20.640 1.910 12.708 1.00 0.00 C ATOM 226 C VAL A 14 -19.650 2.546 13.676 1.00 0.00 C ATOM 227 O VAL A 14 -18.608 3.063 13.261 1.00 0.00 O ATOM 228 CB VAL A 14 -19.869 1.011 11.716 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.083 -0.064 12.456 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.817 0.376 10.712 1.00 0.00 C ATOM 0 H VAL A 14 -20.877 3.554 11.429 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.349 1.283 13.250 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.164 1.640 11.173 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.549 -0.684 11.736 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.368 0.407 13.130 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.769 -0.685 13.031 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.251 -0.252 10.024 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.551 -0.233 11.240 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.330 1.157 10.151 1.00 0.00 H new ATOM 240 N MET A 15 -20.002 2.521 14.957 1.00 0.00 N ATOM 241 CA MET A 15 -19.163 3.056 16.029 1.00 0.00 C ATOM 242 C MET A 15 -18.947 4.561 15.867 1.00 0.00 C ATOM 243 O MET A 15 -19.700 5.363 16.417 1.00 0.00 O ATOM 244 CB MET A 15 -17.819 2.319 16.098 1.00 0.00 C ATOM 245 CG MET A 15 -17.956 0.830 16.381 1.00 0.00 C ATOM 246 SD MET A 15 -16.365 -0.017 16.459 1.00 0.00 S ATOM 247 CE MET A 15 -16.899 -1.709 16.720 1.00 0.00 C ATOM 0 H MET A 15 -20.883 2.127 15.285 1.00 0.00 H new ATOM 0 HA MET A 15 -19.689 2.892 16.970 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.291 2.454 15.154 1.00 0.00 H new ATOM 0 HB3 MET A 15 -17.204 2.773 16.875 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.483 0.691 17.325 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.568 0.372 15.604 1.00 0.00 H new ATOM 0 HE1 MET A 15 -16.027 -2.359 16.790 1.00 0.00 H new ATOM 0 HE2 MET A 15 -17.473 -1.771 17.645 1.00 0.00 H new ATOM 0 HE3 MET A 15 -17.522 -2.027 15.884 1.00 0.00 H new ATOM 257 N GLY A 16 -17.939 4.938 15.094 1.00 0.00 N ATOM 258 CA GLY A 16 -17.655 6.340 14.877 1.00 0.00 C ATOM 259 C GLY A 16 -17.511 6.676 13.406 1.00 0.00 C ATOM 260 O GLY A 16 -17.090 7.777 13.050 1.00 0.00 O ATOM 0 H GLY A 16 -17.311 4.295 14.612 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.455 6.942 15.308 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.737 6.608 15.400 1.00 0.00 H new ATOM 264 N ILE A 17 -17.843 5.722 12.548 1.00 0.00 N ATOM 265 CA ILE A 17 -17.726 5.920 11.111 1.00 0.00 C ATOM 266 C ILE A 17 -19.096 5.788 10.453 1.00 0.00 C ATOM 267 O ILE A 17 -19.797 4.794 10.651 1.00 0.00 O ATOM 268 CB ILE A 17 -16.743 4.917 10.450 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.329 5.035 11.041 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.690 5.143 8.945 1.00 0.00 C ATOM 271 CD1 ILE A 17 -15.140 4.318 12.363 1.00 0.00 C ATOM 0 H ILE A 17 -18.195 4.805 12.822 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.327 6.923 10.961 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.113 3.913 10.655 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.613 4.638 10.321 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.092 6.090 11.177 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.997 4.433 8.495 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.684 4.999 8.520 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.352 6.159 8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.115 4.453 12.707 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.828 4.729 13.102 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.341 3.255 12.232 1.00 0.00 H new ATOM 283 N THR A 18 -19.476 6.798 9.688 1.00 0.00 N ATOM 284 CA THR A 18 -20.752 6.793 8.997 1.00 0.00 C ATOM 285 C THR A 18 -20.566 6.377 7.537 1.00 0.00 C ATOM 286 O THR A 18 -19.719 6.921 6.832 1.00 0.00 O ATOM 287 CB THR A 18 -21.410 8.183 9.064 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.424 8.645 10.424 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.832 8.142 8.527 1.00 0.00 C ATOM 0 H THR A 18 -18.915 7.635 9.530 1.00 0.00 H new ATOM 0 HA THR A 18 -21.404 6.072 9.491 1.00 0.00 H new ATOM 0 HB THR A 18 -20.828 8.867 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.842 9.531 10.464 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.272 9.137 8.586 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.819 7.812 7.488 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.425 7.447 9.121 1.00 0.00 H new ATOM 297 N PHE A 19 -21.344 5.396 7.106 1.00 0.00 N ATOM 298 CA PHE A 19 -21.273 4.893 5.743 1.00 0.00 C ATOM 299 C PHE A 19 -22.517 5.287 4.966 1.00 0.00 C ATOM 300 O PHE A 19 -23.630 5.240 5.495 1.00 0.00 O ATOM 301 CB PHE A 19 -21.145 3.368 5.738 1.00 0.00 C ATOM 302 CG PHE A 19 -19.907 2.861 6.411 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.732 2.710 5.696 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.920 2.531 7.755 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.591 2.241 6.311 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.781 2.060 8.375 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.615 1.914 7.653 1.00 0.00 C ATOM 0 H PHE A 19 -22.039 4.928 7.688 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.394 5.331 5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.017 2.938 6.231 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.156 3.016 4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.709 2.962 4.646 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.831 2.643 8.324 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.679 2.129 5.744 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.802 1.806 9.424 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.722 1.545 8.136 1.00 0.00 H new ATOM 317 N ARG A 20 -22.330 5.677 3.719 1.00 0.00 N ATOM 318 CA ARG A 20 -23.447 5.999 2.850 1.00 0.00 C ATOM 319 C ARG A 20 -23.485 5.027 1.679 1.00 0.00 C ATOM 320 O ARG A 20 -22.436 4.611 1.178 1.00 0.00 O ATOM 321 CB ARG A 20 -23.345 7.440 2.345 1.00 0.00 C ATOM 322 CG ARG A 20 -23.232 8.469 3.459 1.00 0.00 C ATOM 323 CD ARG A 20 -23.222 9.890 2.916 1.00 0.00 C ATOM 324 NE ARG A 20 -22.218 10.076 1.867 1.00 0.00 N ATOM 325 CZ ARG A 20 -21.118 10.815 2.000 1.00 0.00 C ATOM 326 NH1 ARG A 20 -20.867 11.447 3.138 1.00 0.00 N ATOM 327 NH2 ARG A 20 -20.278 10.928 0.979 1.00 0.00 N ATOM 0 H ARG A 20 -21.413 5.779 3.284 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.371 5.906 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.476 7.527 1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.223 7.667 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.066 8.350 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.319 8.291 4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -24.208 10.132 2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.026 10.587 3.731 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.371 9.608 0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.518 11.369 3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.022 12.011 3.233 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.477 10.451 0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.434 11.492 1.073 1.00 0.00 H new ATOM 341 N ALA A 21 -24.689 4.645 1.270 1.00 0.00 N ATOM 342 CA ALA A 21 -24.872 3.725 0.154 1.00 0.00 C ATOM 343 C ALA A 21 -24.195 4.238 -1.115 1.00 0.00 C ATOM 344 O ALA A 21 -24.554 5.292 -1.644 1.00 0.00 O ATOM 345 CB ALA A 21 -26.355 3.494 -0.099 1.00 0.00 C ATOM 0 H ALA A 21 -25.559 4.961 1.698 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.402 2.779 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.479 2.805 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.814 3.068 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.836 4.443 -0.337 1.00 0.00 H new ATOM 351 N GLY A 22 -23.217 3.484 -1.597 1.00 0.00 N ATOM 352 CA GLY A 22 -22.537 3.847 -2.826 1.00 0.00 C ATOM 353 C GLY A 22 -21.193 4.507 -2.588 1.00 0.00 C ATOM 354 O GLY A 22 -20.503 4.878 -3.538 1.00 0.00 O ATOM 0 H GLY A 22 -22.881 2.626 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.394 2.953 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.171 4.523 -3.399 1.00 0.00 H new ATOM 358 N VAL A 23 -20.815 4.659 -1.325 1.00 0.00 N ATOM 359 CA VAL A 23 -19.543 5.283 -0.990 1.00 0.00 C ATOM 360 C VAL A 23 -18.560 4.257 -0.435 1.00 0.00 C ATOM 361 O VAL A 23 -18.803 3.649 0.609 1.00 0.00 O ATOM 362 CB VAL A 23 -19.721 6.417 0.039 1.00 0.00 C ATOM 363 CG1 VAL A 23 -18.403 7.140 0.280 1.00 0.00 C ATOM 364 CG2 VAL A 23 -20.790 7.393 -0.421 1.00 0.00 C ATOM 0 H VAL A 23 -21.367 4.361 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.146 5.704 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.043 5.974 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.553 7.936 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.665 6.434 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.047 7.569 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -20.901 8.186 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.499 7.827 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -21.738 6.867 -0.534 1.00 0.00 H new ATOM 374 N SER A 24 -17.466 4.054 -1.155 1.00 0.00 N ATOM 375 CA SER A 24 -16.399 3.179 -0.698 1.00 0.00 C ATOM 376 C SER A 24 -15.479 3.941 0.251 1.00 0.00 C ATOM 377 O SER A 24 -14.709 4.805 -0.175 1.00 0.00 O ATOM 378 CB SER A 24 -15.604 2.660 -1.895 1.00 0.00 C ATOM 379 OG SER A 24 -16.469 2.369 -2.979 1.00 0.00 O ATOM 0 H SER A 24 -17.295 4.487 -2.063 1.00 0.00 H new ATOM 0 HA SER A 24 -16.833 2.331 -0.168 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.868 3.404 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.053 1.763 -1.611 1.00 0.00 H new ATOM 0 HG SER A 24 -15.943 2.039 -3.738 1.00 0.00 H new ATOM 385 N GLN A 25 -15.574 3.632 1.533 1.00 0.00 N ATOM 386 CA GLN A 25 -14.813 4.342 2.547 1.00 0.00 C ATOM 387 C GLN A 25 -13.727 3.445 3.125 1.00 0.00 C ATOM 388 O GLN A 25 -13.950 2.253 3.345 1.00 0.00 O ATOM 389 CB GLN A 25 -15.751 4.824 3.655 1.00 0.00 C ATOM 390 CG GLN A 25 -16.841 5.753 3.147 1.00 0.00 C ATOM 391 CD GLN A 25 -17.855 6.127 4.210 1.00 0.00 C ATOM 392 OE1 GLN A 25 -19.025 6.371 3.909 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.421 6.185 5.458 1.00 0.00 N ATOM 0 H GLN A 25 -16.173 2.891 1.897 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.333 5.206 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.212 3.960 4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.168 5.340 4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -16.382 6.662 2.757 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.357 5.275 2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.445 5.976 5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.062 6.438 6.210 1.00 0.00 H new ATOM 402 N THR A 26 -12.553 4.014 3.350 1.00 0.00 N ATOM 403 CA THR A 26 -11.445 3.277 3.936 1.00 0.00 C ATOM 404 C THR A 26 -11.704 3.008 5.415 1.00 0.00 C ATOM 405 O THR A 26 -11.883 3.934 6.206 1.00 0.00 O ATOM 406 CB THR A 26 -10.116 4.037 3.762 1.00 0.00 C ATOM 407 OG1 THR A 26 -10.328 5.445 3.936 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.520 3.773 2.389 1.00 0.00 C ATOM 0 H THR A 26 -12.343 4.989 3.134 1.00 0.00 H new ATOM 0 HA THR A 26 -11.365 2.325 3.412 1.00 0.00 H new ATOM 0 HB THR A 26 -9.417 3.681 4.519 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.478 5.920 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.582 4.320 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.332 2.706 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.218 4.104 1.620 1.00 0.00 H new ATOM 416 N VAL A 27 -11.738 1.735 5.778 1.00 0.00 N ATOM 417 CA VAL A 27 -12.065 1.344 7.140 1.00 0.00 C ATOM 418 C VAL A 27 -10.868 0.721 7.839 1.00 0.00 C ATOM 419 O VAL A 27 -9.922 0.268 7.188 1.00 0.00 O ATOM 420 CB VAL A 27 -13.243 0.344 7.176 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.486 0.968 6.573 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.887 -0.950 6.452 1.00 0.00 C ATOM 0 H VAL A 27 -11.543 0.956 5.149 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.354 2.255 7.664 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.447 0.100 8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.306 0.251 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.759 1.857 7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.288 1.245 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.734 -1.635 6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.648 -0.731 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.024 -1.411 6.933 1.00 0.00 H new ATOM 432 N PRO A 28 -10.878 0.729 9.179 1.00 0.00 N ATOM 433 CA PRO A 28 -9.883 0.019 9.978 1.00 0.00 C ATOM 434 C PRO A 28 -9.944 -1.485 9.730 1.00 0.00 C ATOM 435 O PRO A 28 -11.008 -2.032 9.425 1.00 0.00 O ATOM 436 CB PRO A 28 -10.274 0.339 11.426 1.00 0.00 C ATOM 437 CG PRO A 28 -11.138 1.550 11.339 1.00 0.00 C ATOM 438 CD PRO A 28 -11.846 1.450 10.019 1.00 0.00 C ATOM 0 HA PRO A 28 -8.865 0.322 9.734 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.808 -0.494 11.883 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.393 0.527 12.039 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.850 1.583 12.164 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.542 2.461 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.788 0.908 10.106 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.081 2.433 9.611 1.00 0.00 H new ATOM 446 N LYS A 29 -8.807 -2.145 9.878 1.00 0.00 N ATOM 447 CA LYS A 29 -8.696 -3.575 9.616 1.00 0.00 C ATOM 448 C LYS A 29 -9.649 -4.380 10.499 1.00 0.00 C ATOM 449 O LYS A 29 -10.135 -5.438 10.098 1.00 0.00 O ATOM 450 CB LYS A 29 -7.244 -4.013 9.823 1.00 0.00 C ATOM 451 CG LYS A 29 -6.979 -5.488 9.567 1.00 0.00 C ATOM 452 CD LYS A 29 -5.496 -5.744 9.344 1.00 0.00 C ATOM 453 CE LYS A 29 -4.650 -5.202 10.487 1.00 0.00 C ATOM 454 NZ LYS A 29 -3.212 -5.117 10.121 1.00 0.00 N ATOM 0 H LYS A 29 -7.937 -1.709 10.182 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.984 -3.769 8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.605 -3.424 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.951 -3.778 10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.330 -6.077 10.414 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.544 -5.817 8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.324 -6.815 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.184 -5.279 8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.012 -4.213 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.765 -5.844 11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.670 -4.743 10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.859 -6.064 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.099 -4.484 9.304 1.00 0.00 H new ATOM 468 N LYS A 30 -9.934 -3.864 11.692 1.00 0.00 N ATOM 469 CA LYS A 30 -10.890 -4.503 12.591 1.00 0.00 C ATOM 470 C LYS A 30 -12.298 -4.466 11.997 1.00 0.00 C ATOM 471 O LYS A 30 -13.018 -5.464 12.005 1.00 0.00 O ATOM 472 CB LYS A 30 -10.902 -3.805 13.950 1.00 0.00 C ATOM 473 CG LYS A 30 -9.596 -3.904 14.719 1.00 0.00 C ATOM 474 CD LYS A 30 -9.691 -3.157 16.039 1.00 0.00 C ATOM 475 CE LYS A 30 -8.403 -3.243 16.840 1.00 0.00 C ATOM 476 NZ LYS A 30 -8.483 -2.427 18.081 1.00 0.00 N ATOM 0 H LYS A 30 -9.518 -3.008 12.057 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.581 -5.540 12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.143 -2.752 13.802 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.700 -4.232 14.557 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.356 -4.951 14.905 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.784 -3.492 14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.928 -2.111 15.846 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.512 -3.566 16.628 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.202 -4.283 17.098 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.569 -2.899 16.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.589 -2.506 18.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.651 -1.431 17.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.265 -2.772 18.674 1.00 0.00 H new ATOM 490 N LEU A 31 -12.673 -3.309 11.462 1.00 0.00 N ATOM 491 CA LEU A 31 -14.021 -3.110 10.947 1.00 0.00 C ATOM 492 C LEU A 31 -14.205 -3.795 9.600 1.00 0.00 C ATOM 493 O LEU A 31 -15.329 -4.074 9.196 1.00 0.00 O ATOM 494 CB LEU A 31 -14.346 -1.618 10.831 1.00 0.00 C ATOM 495 CG LEU A 31 -14.453 -0.873 12.164 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.853 0.574 11.934 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.451 -1.561 13.082 1.00 0.00 C ATOM 0 H LEU A 31 -12.063 -2.496 11.374 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.713 -3.563 11.657 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.576 -1.140 10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -15.288 -1.508 10.294 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.475 -0.889 12.645 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.924 1.088 12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.103 1.065 11.314 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.819 0.609 11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.513 -1.017 14.025 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.432 -1.577 12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.124 -2.583 13.274 1.00 0.00 H new ATOM 509 N TYR A 32 -13.104 -4.072 8.912 1.00 0.00 N ATOM 510 CA TYR A 32 -13.169 -4.782 7.641 1.00 0.00 C ATOM 511 C TYR A 32 -13.786 -6.164 7.844 1.00 0.00 C ATOM 512 O TYR A 32 -14.699 -6.560 7.122 1.00 0.00 O ATOM 513 CB TYR A 32 -11.774 -4.909 7.022 1.00 0.00 C ATOM 514 CG TYR A 32 -11.775 -5.517 5.635 1.00 0.00 C ATOM 515 CD1 TYR A 32 -12.209 -4.786 4.536 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.343 -6.821 5.423 1.00 0.00 C ATOM 517 CE1 TYR A 32 -12.211 -5.333 3.268 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.342 -7.376 4.156 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.777 -6.627 3.082 1.00 0.00 C ATOM 520 OH TYR A 32 -11.776 -7.174 1.819 1.00 0.00 O ATOM 0 H TYR A 32 -12.162 -3.818 9.210 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.797 -4.212 6.957 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.316 -3.921 6.975 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.151 -5.519 7.676 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.551 -3.771 4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.003 -7.411 6.261 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.551 -4.749 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.002 -8.391 4.008 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.440 -8.093 1.861 1.00 0.00 H new ATOM 530 N GLU A 33 -13.301 -6.882 8.849 1.00 0.00 N ATOM 531 CA GLU A 33 -13.842 -8.194 9.168 1.00 0.00 C ATOM 532 C GLU A 33 -15.212 -8.049 9.822 1.00 0.00 C ATOM 533 O GLU A 33 -16.113 -8.857 9.595 1.00 0.00 O ATOM 534 CB GLU A 33 -12.899 -8.962 10.092 1.00 0.00 C ATOM 535 CG GLU A 33 -13.357 -10.384 10.363 1.00 0.00 C ATOM 536 CD GLU A 33 -12.435 -11.131 11.295 1.00 0.00 C ATOM 537 OE1 GLU A 33 -11.408 -11.662 10.821 1.00 0.00 O ATOM 538 OE2 GLU A 33 -12.734 -11.196 12.508 1.00 0.00 O ATOM 0 H GLU A 33 -12.538 -6.579 9.454 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.946 -8.757 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.904 -8.986 9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.813 -8.428 11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.359 -10.362 10.792 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.426 -10.924 9.419 1.00 0.00 H new ATOM 545 N TYR A 34 -15.360 -6.996 10.616 1.00 0.00 N ATOM 546 CA TYR A 34 -16.618 -6.703 11.292 1.00 0.00 C ATOM 547 C TYR A 34 -17.743 -6.496 10.277 1.00 0.00 C ATOM 548 O TYR A 34 -18.910 -6.778 10.557 1.00 0.00 O ATOM 549 CB TYR A 34 -16.457 -5.459 12.173 1.00 0.00 C ATOM 550 CG TYR A 34 -17.693 -5.087 12.965 1.00 0.00 C ATOM 551 CD1 TYR A 34 -17.993 -5.726 14.161 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.555 -4.091 12.519 1.00 0.00 C ATOM 553 CE1 TYR A 34 -19.115 -5.386 14.890 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.679 -3.747 13.241 1.00 0.00 C ATOM 555 CZ TYR A 34 -19.954 -4.396 14.426 1.00 0.00 C ATOM 556 OH TYR A 34 -21.073 -4.054 15.151 1.00 0.00 O ATOM 0 H TYR A 34 -14.617 -6.325 10.809 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.883 -7.553 11.921 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.633 -5.625 12.867 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.178 -4.616 11.542 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.337 -6.502 14.527 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.341 -3.579 11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -19.334 -5.893 15.818 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.340 -2.973 12.880 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.557 -3.339 14.688 1.00 0.00 H new ATOM 566 N LEU A 35 -17.386 -6.007 9.096 1.00 0.00 N ATOM 567 CA LEU A 35 -18.358 -5.799 8.035 1.00 0.00 C ATOM 568 C LEU A 35 -18.404 -6.999 7.092 1.00 0.00 C ATOM 569 O LEU A 35 -19.353 -7.154 6.328 1.00 0.00 O ATOM 570 CB LEU A 35 -18.040 -4.520 7.257 1.00 0.00 C ATOM 571 CG LEU A 35 -18.063 -3.233 8.088 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.744 -2.029 7.218 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.412 -3.058 8.768 1.00 0.00 C ATOM 0 H LEU A 35 -16.430 -5.748 8.851 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.340 -5.691 8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.054 -4.624 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.757 -4.421 6.442 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.298 -3.311 8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.765 -1.125 7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.753 -2.149 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.485 -1.949 6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.408 -2.138 9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.196 -3.004 8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.600 -3.906 9.426 1.00 0.00 H new ATOM 585 N ASN A 36 -17.385 -7.849 7.153 1.00 0.00 N ATOM 586 CA ASN A 36 -17.353 -9.066 6.339 1.00 0.00 C ATOM 587 C ASN A 36 -18.408 -10.044 6.832 1.00 0.00 C ATOM 588 O ASN A 36 -18.959 -10.837 6.070 1.00 0.00 O ATOM 589 CB ASN A 36 -15.964 -9.714 6.386 1.00 0.00 C ATOM 590 CG ASN A 36 -15.818 -10.873 5.413 1.00 0.00 C ATOM 591 OD1 ASN A 36 -15.474 -10.679 4.247 1.00 0.00 O ATOM 592 ND2 ASN A 36 -16.062 -12.087 5.882 1.00 0.00 N ATOM 0 H ASN A 36 -16.571 -7.722 7.754 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.569 -8.799 5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.209 -8.960 6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.768 -10.069 7.398 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.967 -12.898 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.345 -12.211 6.854 1.00 0.00 H new ATOM 599 N GLU A 37 -18.685 -9.967 8.124 1.00 0.00 N ATOM 600 CA GLU A 37 -19.730 -10.764 8.747 1.00 0.00 C ATOM 601 C GLU A 37 -21.057 -10.009 8.721 1.00 0.00 C ATOM 602 O GLU A 37 -22.046 -10.446 9.308 1.00 0.00 O ATOM 603 CB GLU A 37 -19.330 -11.086 10.187 1.00 0.00 C ATOM 604 CG GLU A 37 -18.932 -9.852 10.981 1.00 0.00 C ATOM 605 CD GLU A 37 -18.334 -10.181 12.328 1.00 0.00 C ATOM 606 OE1 GLU A 37 -17.161 -10.603 12.373 1.00 0.00 O ATOM 607 OE2 GLU A 37 -19.033 -10.017 13.348 1.00 0.00 O ATOM 0 H GLU A 37 -18.192 -9.351 8.770 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.854 -11.694 8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.162 -11.581 10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -18.498 -11.790 10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -18.213 -9.272 10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.809 -9.221 11.124 1.00 0.00 H new ATOM 614 N ASN A 38 -21.068 -8.880 8.027 1.00 0.00 N ATOM 615 CA ASN A 38 -22.239 -8.023 7.976 1.00 0.00 C ATOM 616 C ASN A 38 -22.780 -7.978 6.547 1.00 0.00 C ATOM 617 O ASN A 38 -22.199 -7.341 5.669 1.00 0.00 O ATOM 618 CB ASN A 38 -21.874 -6.626 8.477 1.00 0.00 C ATOM 619 CG ASN A 38 -23.066 -5.884 9.034 1.00 0.00 C ATOM 620 OD1 ASN A 38 -24.034 -6.495 9.483 1.00 0.00 O ATOM 621 ND2 ASN A 38 -22.992 -4.564 9.042 1.00 0.00 N ATOM 0 H ASN A 38 -20.273 -8.536 7.489 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.021 -8.422 8.622 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.108 -6.708 9.248 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -21.442 -6.051 7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.757 -4.013 9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -22.170 -4.097 8.659 1.00 0.00 H new ATOM 628 N PRO A 39 -23.915 -8.652 6.309 1.00 0.00 N ATOM 629 CA PRO A 39 -24.403 -8.974 4.956 1.00 0.00 C ATOM 630 C PRO A 39 -25.048 -7.808 4.196 1.00 0.00 C ATOM 631 O PRO A 39 -26.050 -7.999 3.503 1.00 0.00 O ATOM 632 CB PRO A 39 -25.446 -10.056 5.236 1.00 0.00 C ATOM 633 CG PRO A 39 -25.983 -9.717 6.579 1.00 0.00 C ATOM 634 CD PRO A 39 -24.825 -9.159 7.356 1.00 0.00 C ATOM 0 HA PRO A 39 -23.576 -9.264 4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -26.233 -10.053 4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.999 -11.050 5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.791 -8.989 6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -26.394 -10.599 7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.141 -8.364 8.031 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.346 -9.924 7.967 1.00 0.00 H new ATOM 642 N TYR A 40 -24.477 -6.614 4.294 1.00 0.00 N ATOM 643 CA TYR A 40 -24.955 -5.494 3.485 1.00 0.00 C ATOM 644 C TYR A 40 -23.844 -4.508 3.132 1.00 0.00 C ATOM 645 O TYR A 40 -24.104 -3.336 2.844 1.00 0.00 O ATOM 646 CB TYR A 40 -26.147 -4.772 4.137 1.00 0.00 C ATOM 647 CG TYR A 40 -26.154 -4.700 5.646 1.00 0.00 C ATOM 648 CD1 TYR A 40 -25.549 -3.649 6.317 1.00 0.00 C ATOM 649 CD2 TYR A 40 -26.810 -5.668 6.395 1.00 0.00 C ATOM 650 CE1 TYR A 40 -25.592 -3.565 7.695 1.00 0.00 C ATOM 651 CE2 TYR A 40 -26.854 -5.596 7.772 1.00 0.00 C ATOM 652 CZ TYR A 40 -26.246 -4.542 8.420 1.00 0.00 C ATOM 653 OH TYR A 40 -26.294 -4.467 9.796 1.00 0.00 O ATOM 0 H TYR A 40 -23.696 -6.395 4.913 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.306 -5.931 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.183 -3.755 3.748 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -27.063 -5.269 3.816 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -25.036 -2.884 5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -27.294 -6.491 5.891 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -25.116 -2.739 8.203 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -27.362 -6.362 8.339 1.00 0.00 H new ATOM 0 HH TYR A 40 -25.618 -5.064 10.180 1.00 0.00 H new ATOM 663 N PHE A 41 -22.610 -4.996 3.107 1.00 0.00 N ATOM 664 CA PHE A 41 -21.480 -4.193 2.668 1.00 0.00 C ATOM 665 C PHE A 41 -20.706 -4.924 1.580 1.00 0.00 C ATOM 666 O PHE A 41 -20.511 -6.139 1.663 1.00 0.00 O ATOM 667 CB PHE A 41 -20.530 -3.897 3.835 1.00 0.00 C ATOM 668 CG PHE A 41 -21.019 -2.846 4.791 1.00 0.00 C ATOM 669 CD1 PHE A 41 -21.865 -3.174 5.838 1.00 0.00 C ATOM 670 CD2 PHE A 41 -20.620 -1.526 4.646 1.00 0.00 C ATOM 671 CE1 PHE A 41 -22.306 -2.206 6.721 1.00 0.00 C ATOM 672 CE2 PHE A 41 -21.056 -0.554 5.526 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.900 -0.894 6.565 1.00 0.00 C ATOM 0 H PHE A 41 -22.368 -5.947 3.387 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.873 -3.254 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.357 -4.820 4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.568 -3.582 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.184 -4.198 5.966 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.960 -1.254 3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.967 -2.475 7.532 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.737 0.470 5.401 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.242 -0.136 7.254 1.00 0.00 H new ATOM 683 N ILE A 42 -20.282 -4.200 0.555 1.00 0.00 N ATOM 684 CA ILE A 42 -19.329 -4.741 -0.404 1.00 0.00 C ATOM 685 C ILE A 42 -17.931 -4.292 -0.025 1.00 0.00 C ATOM 686 O ILE A 42 -17.613 -3.098 -0.055 1.00 0.00 O ATOM 687 CB ILE A 42 -19.639 -4.344 -1.867 1.00 0.00 C ATOM 688 CG1 ILE A 42 -20.855 -5.119 -2.379 1.00 0.00 C ATOM 689 CG2 ILE A 42 -18.432 -4.598 -2.768 1.00 0.00 C ATOM 690 CD1 ILE A 42 -21.260 -4.761 -3.794 1.00 0.00 C ATOM 0 H ILE A 42 -20.580 -3.243 0.366 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.408 -5.827 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 42 -19.864 -3.278 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -20.639 -6.186 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -21.698 -4.935 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -18.675 -4.311 -3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.585 -4.008 -2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.173 -5.656 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -22.129 -5.352 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.509 -3.701 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -20.434 -4.972 -4.473 1.00 0.00 H new ATOM 702 N LEU A 43 -17.120 -5.252 0.367 1.00 0.00 N ATOM 703 CA LEU A 43 -15.778 -4.990 0.836 1.00 0.00 C ATOM 704 C LEU A 43 -14.763 -5.268 -0.256 1.00 0.00 C ATOM 705 O LEU A 43 -14.514 -6.422 -0.617 1.00 0.00 O ATOM 706 CB LEU A 43 -15.498 -5.855 2.057 1.00 0.00 C ATOM 707 CG LEU A 43 -16.436 -5.605 3.234 1.00 0.00 C ATOM 708 CD1 LEU A 43 -16.455 -6.801 4.156 1.00 0.00 C ATOM 709 CD2 LEU A 43 -16.014 -4.360 3.994 1.00 0.00 C ATOM 0 H LEU A 43 -17.375 -6.240 0.369 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.693 -3.938 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.568 -6.904 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.472 -5.682 2.382 1.00 0.00 H new ATOM 0 HG LEU A 43 -17.443 -5.450 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.129 -6.606 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.800 -7.678 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.450 -6.983 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.694 -4.196 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.000 -4.490 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.045 -3.498 3.327 1.00 0.00 H new ATOM 721 N THR A 44 -14.200 -4.205 -0.793 1.00 0.00 N ATOM 722 CA THR A 44 -13.189 -4.318 -1.816 1.00 0.00 C ATOM 723 C THR A 44 -11.804 -4.072 -1.232 1.00 0.00 C ATOM 724 O THR A 44 -11.506 -2.980 -0.743 1.00 0.00 O ATOM 725 CB THR A 44 -13.464 -3.328 -2.965 1.00 0.00 C ATOM 726 OG1 THR A 44 -13.972 -2.093 -2.438 1.00 0.00 O ATOM 727 CG2 THR A 44 -14.459 -3.914 -3.956 1.00 0.00 C ATOM 0 H THR A 44 -14.430 -3.246 -0.533 1.00 0.00 H new ATOM 0 HA THR A 44 -13.224 -5.332 -2.215 1.00 0.00 H new ATOM 0 HB THR A 44 -12.526 -3.139 -3.487 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.239 -1.585 -2.031 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.638 -3.198 -4.758 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.055 -4.835 -4.375 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.398 -4.129 -3.445 1.00 0.00 H new ATOM 877 N PRO A 54 8.629 -1.174 -15.056 1.00 0.00 N ATOM 878 CA PRO A 54 9.070 0.227 -15.172 1.00 0.00 C ATOM 879 C PRO A 54 10.334 0.415 -16.015 1.00 0.00 C ATOM 880 O PRO A 54 11.178 1.257 -15.704 1.00 0.00 O ATOM 881 CB PRO A 54 9.341 0.645 -13.717 1.00 0.00 C ATOM 882 CG PRO A 54 8.845 -0.477 -12.865 1.00 0.00 C ATOM 883 CD PRO A 54 8.902 -1.707 -13.718 1.00 0.00 C ATOM 0 HA PRO A 54 8.315 0.825 -15.682 1.00 0.00 H new ATOM 0 HB2 PRO A 54 10.405 0.818 -13.553 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.826 1.575 -13.476 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.463 -0.592 -11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.827 -0.286 -12.524 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.876 -2.193 -13.665 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.160 -2.446 -13.416 1.00 0.00 H new ATOM 891 N ILE A 55 10.442 -0.352 -17.087 1.00 0.00 N ATOM 892 CA ILE A 55 11.552 -0.233 -18.026 1.00 0.00 C ATOM 893 C ILE A 55 11.311 -1.173 -19.221 1.00 0.00 C ATOM 894 O ILE A 55 12.243 -1.658 -19.867 1.00 0.00 O ATOM 895 CB ILE A 55 12.906 -0.544 -17.331 1.00 0.00 C ATOM 896 CG1 ILE A 55 14.079 -0.140 -18.228 1.00 0.00 C ATOM 897 CG2 ILE A 55 13.006 -2.012 -16.933 1.00 0.00 C ATOM 898 CD1 ILE A 55 14.087 1.331 -18.589 1.00 0.00 C ATOM 0 H ILE A 55 9.765 -1.074 -17.333 1.00 0.00 H new ATOM 0 HA ILE A 55 11.605 0.794 -18.388 1.00 0.00 H new ATOM 0 HB ILE A 55 12.953 0.047 -16.416 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.013 -0.387 -17.724 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.045 -0.730 -19.144 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.966 -2.193 -16.450 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.200 -2.257 -16.242 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.924 -2.637 -17.823 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.946 1.545 -19.226 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.169 1.580 -19.122 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.152 1.928 -17.680 1.00 0.00 H new ATOM 910 N ASN A 56 10.035 -1.394 -19.535 1.00 0.00 N ATOM 911 CA ASN A 56 9.648 -2.349 -20.571 1.00 0.00 C ATOM 912 C ASN A 56 8.243 -2.033 -21.073 1.00 0.00 C ATOM 913 O ASN A 56 7.247 -2.448 -20.475 1.00 0.00 O ATOM 914 CB ASN A 56 9.700 -3.780 -20.020 1.00 0.00 C ATOM 915 CG ASN A 56 9.558 -4.854 -21.087 1.00 0.00 C ATOM 916 OD1 ASN A 56 8.938 -4.651 -22.132 1.00 0.00 O ATOM 917 ND2 ASN A 56 10.127 -6.021 -20.821 1.00 0.00 N ATOM 0 H ASN A 56 9.250 -0.923 -19.085 1.00 0.00 H new ATOM 0 HA ASN A 56 10.348 -2.268 -21.402 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.645 -3.924 -19.497 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.906 -3.905 -19.284 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.059 -6.786 -21.492 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.633 -6.154 -19.945 1.00 0.00 H new ATOM 924 N TYR A 57 8.167 -1.275 -22.154 1.00 0.00 N ATOM 925 CA TYR A 57 6.889 -0.867 -22.721 1.00 0.00 C ATOM 926 C TYR A 57 6.940 -0.972 -24.237 1.00 0.00 C ATOM 927 O TYR A 57 8.021 -0.941 -24.825 1.00 0.00 O ATOM 928 CB TYR A 57 6.553 0.581 -22.338 1.00 0.00 C ATOM 929 CG TYR A 57 6.549 0.863 -20.852 1.00 0.00 C ATOM 930 CD1 TYR A 57 7.726 1.177 -20.185 1.00 0.00 C ATOM 931 CD2 TYR A 57 5.370 0.832 -20.121 1.00 0.00 C ATOM 932 CE1 TYR A 57 7.729 1.449 -18.834 1.00 0.00 C ATOM 933 CE2 TYR A 57 5.365 1.103 -18.765 1.00 0.00 C ATOM 934 CZ TYR A 57 6.548 1.412 -18.128 1.00 0.00 C ATOM 935 OH TYR A 57 6.549 1.684 -16.781 1.00 0.00 O ATOM 0 H TYR A 57 8.981 -0.927 -22.661 1.00 0.00 H new ATOM 0 HA TYR A 57 6.119 -1.528 -22.323 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.273 1.244 -22.817 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.572 0.830 -22.743 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.655 1.209 -20.735 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.442 0.593 -20.619 1.00 0.00 H new ATOM 0 HE1 TYR A 57 8.654 1.690 -18.331 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.440 1.073 -18.208 1.00 0.00 H new ATOM 0 HH TYR A 57 5.635 1.617 -16.433 1.00 0.00 H new ATOM 945 N THR A 58 5.776 -1.098 -24.860 1.00 0.00 N ATOM 946 CA THR A 58 5.685 -1.078 -26.310 1.00 0.00 C ATOM 947 C THR A 58 6.125 0.274 -26.838 1.00 0.00 C ATOM 948 O THR A 58 5.745 1.307 -26.292 1.00 0.00 O ATOM 949 CB THR A 58 4.255 -1.398 -26.774 1.00 0.00 C ATOM 950 OG1 THR A 58 3.667 -2.362 -25.885 1.00 0.00 O ATOM 951 CG2 THR A 58 4.264 -1.962 -28.187 1.00 0.00 C ATOM 0 H THR A 58 4.883 -1.215 -24.382 1.00 0.00 H new ATOM 0 HA THR A 58 6.348 -1.846 -26.709 1.00 0.00 H new ATOM 0 HB THR A 58 3.672 -0.477 -26.765 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.755 -2.565 -26.180 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.243 -2.182 -28.497 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.701 -1.231 -28.868 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.855 -2.877 -28.210 1.00 0.00 H new ATOM 959 N GLU A 59 6.960 0.270 -27.874 1.00 0.00 N ATOM 960 CA GLU A 59 7.437 1.514 -28.459 1.00 0.00 C ATOM 961 C GLU A 59 6.259 2.339 -28.955 1.00 0.00 C ATOM 962 O GLU A 59 6.274 3.564 -28.877 1.00 0.00 O ATOM 963 CB GLU A 59 8.429 1.246 -29.594 1.00 0.00 C ATOM 964 CG GLU A 59 7.839 0.486 -30.768 1.00 0.00 C ATOM 965 CD GLU A 59 8.884 0.134 -31.801 1.00 0.00 C ATOM 966 OE1 GLU A 59 9.201 0.995 -32.646 1.00 0.00 O ATOM 967 OE2 GLU A 59 9.397 -1.004 -31.766 1.00 0.00 O ATOM 0 H GLU A 59 7.316 -0.575 -28.321 1.00 0.00 H new ATOM 0 HA GLU A 59 7.963 2.078 -27.689 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.821 2.198 -29.952 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.274 0.682 -29.198 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.365 -0.427 -30.407 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.058 1.088 -31.233 1.00 0.00 H new ATOM 974 N SER A 60 5.220 1.657 -29.426 1.00 0.00 N ATOM 975 CA SER A 60 4.000 2.322 -29.833 1.00 0.00 C ATOM 976 C SER A 60 3.277 2.889 -28.616 1.00 0.00 C ATOM 977 O SER A 60 2.610 3.918 -28.714 1.00 0.00 O ATOM 978 CB SER A 60 3.096 1.363 -30.609 1.00 0.00 C ATOM 979 OG SER A 60 2.889 0.161 -29.891 1.00 0.00 O ATOM 0 H SER A 60 5.204 0.643 -29.533 1.00 0.00 H new ATOM 0 HA SER A 60 4.258 3.149 -30.495 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.137 1.842 -30.806 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.545 1.139 -31.577 1.00 0.00 H new ATOM 0 HG SER A 60 2.306 -0.433 -30.409 1.00 0.00 H new ATOM 985 N GLU A 61 3.433 2.242 -27.452 1.00 0.00 N ATOM 986 CA GLU A 61 2.821 2.772 -26.234 1.00 0.00 C ATOM 987 C GLU A 61 3.587 4.006 -25.771 1.00 0.00 C ATOM 988 O GLU A 61 3.005 4.981 -25.299 1.00 0.00 O ATOM 989 CB GLU A 61 2.801 1.735 -25.106 1.00 0.00 C ATOM 990 CG GLU A 61 1.991 0.489 -25.417 1.00 0.00 C ATOM 991 CD GLU A 61 0.562 0.791 -25.811 1.00 0.00 C ATOM 992 OE1 GLU A 61 -0.191 1.334 -24.980 1.00 0.00 O ATOM 993 OE2 GLU A 61 0.181 0.458 -26.953 1.00 0.00 O ATOM 0 H GLU A 61 3.961 1.378 -27.332 1.00 0.00 H new ATOM 0 HA GLU A 61 1.789 3.033 -26.469 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.826 1.441 -24.881 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.398 2.201 -24.207 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.476 -0.060 -26.225 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.990 -0.164 -24.544 1.00 0.00 H new ATOM 1000 N LEU A 62 4.902 3.955 -25.937 1.00 0.00 N ATOM 1001 CA LEU A 62 5.779 5.031 -25.501 1.00 0.00 C ATOM 1002 C LEU A 62 5.741 6.214 -26.468 1.00 0.00 C ATOM 1003 O LEU A 62 6.188 7.314 -26.131 1.00 0.00 O ATOM 1004 CB LEU A 62 7.208 4.501 -25.341 1.00 0.00 C ATOM 1005 CG LEU A 62 7.395 3.489 -24.205 1.00 0.00 C ATOM 1006 CD1 LEU A 62 8.797 2.899 -24.215 1.00 0.00 C ATOM 1007 CD2 LEU A 62 7.111 4.147 -22.863 1.00 0.00 C ATOM 0 H LEU A 62 5.387 3.172 -26.375 1.00 0.00 H new ATOM 0 HA LEU A 62 5.424 5.394 -24.536 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.515 4.035 -26.278 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.877 5.345 -25.171 1.00 0.00 H new ATOM 0 HG LEU A 62 6.687 2.675 -24.360 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.897 2.185 -23.397 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.971 2.391 -25.164 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.529 3.697 -24.091 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.247 3.418 -22.064 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.797 4.981 -22.714 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.085 4.514 -22.848 1.00 0.00 H new ATOM 1019 N LYS A 63 5.209 5.989 -27.665 1.00 0.00 N ATOM 1020 CA LYS A 63 5.049 7.057 -28.649 1.00 0.00 C ATOM 1021 C LYS A 63 3.958 8.032 -28.226 1.00 0.00 C ATOM 1022 O LYS A 63 4.087 9.242 -28.415 1.00 0.00 O ATOM 1023 CB LYS A 63 4.718 6.485 -30.031 1.00 0.00 C ATOM 1024 CG LYS A 63 5.927 5.970 -30.793 1.00 0.00 C ATOM 1025 CD LYS A 63 6.919 7.086 -31.088 1.00 0.00 C ATOM 1026 CE LYS A 63 8.128 6.567 -31.847 1.00 0.00 C ATOM 1027 NZ LYS A 63 7.792 6.179 -33.242 1.00 0.00 N ATOM 0 H LYS A 63 4.881 5.076 -27.979 1.00 0.00 H new ATOM 0 HA LYS A 63 5.997 7.592 -28.706 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.002 5.672 -29.914 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.229 7.257 -30.625 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.418 5.189 -30.212 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.602 5.515 -31.728 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.429 7.866 -31.671 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.243 7.543 -30.153 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.902 7.334 -31.862 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.542 5.706 -31.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.665 5.944 -33.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.163 5.351 -33.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.313 6.971 -33.717 1.00 0.00 H new ATOM 1041 N GLY A 64 2.898 7.505 -27.628 1.00 0.00 N ATOM 1042 CA GLY A 64 1.779 8.336 -27.229 1.00 0.00 C ATOM 1043 C GLY A 64 1.981 8.968 -25.866 1.00 0.00 C ATOM 1044 O GLY A 64 1.045 9.069 -25.075 1.00 0.00 O ATOM 0 H GLY A 64 2.793 6.514 -27.412 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.631 9.120 -27.971 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.870 7.734 -27.216 1.00 0.00 H new ATOM 1048 N MET A 65 3.207 9.396 -25.596 1.00 0.00 N ATOM 1049 CA MET A 65 3.557 9.992 -24.312 1.00 0.00 C ATOM 1050 C MET A 65 4.439 11.213 -24.529 1.00 0.00 C ATOM 1051 O MET A 65 4.864 11.484 -25.654 1.00 0.00 O ATOM 1052 CB MET A 65 4.312 8.983 -23.440 1.00 0.00 C ATOM 1053 CG MET A 65 3.518 7.736 -23.090 1.00 0.00 C ATOM 1054 SD MET A 65 4.502 6.536 -22.167 1.00 0.00 S ATOM 1055 CE MET A 65 3.289 5.244 -21.903 1.00 0.00 C ATOM 0 H MET A 65 3.983 9.341 -26.256 1.00 0.00 H new ATOM 0 HA MET A 65 2.635 10.285 -23.809 1.00 0.00 H new ATOM 0 HB2 MET A 65 5.224 8.685 -23.958 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.617 9.476 -22.517 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.645 8.017 -22.501 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.149 7.273 -24.006 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.559 4.667 -21.018 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.306 5.692 -21.758 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.264 4.586 -22.771 1.00 0.00 H new ATOM 1065 N ASN A 66 4.714 11.942 -23.458 1.00 0.00 N ATOM 1066 CA ASN A 66 5.675 13.035 -23.509 1.00 0.00 C ATOM 1067 C ASN A 66 6.883 12.690 -22.645 1.00 0.00 C ATOM 1068 O ASN A 66 7.152 11.512 -22.395 1.00 0.00 O ATOM 1069 CB ASN A 66 5.043 14.368 -23.069 1.00 0.00 C ATOM 1070 CG ASN A 66 4.506 14.353 -21.651 1.00 0.00 C ATOM 1071 OD1 ASN A 66 5.232 14.638 -20.697 1.00 0.00 O ATOM 1072 ND2 ASN A 66 3.227 14.058 -21.513 1.00 0.00 N ATOM 0 H ASN A 66 4.286 11.797 -22.543 1.00 0.00 H new ATOM 0 HA ASN A 66 5.999 13.164 -24.542 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.788 15.159 -23.157 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.231 14.617 -23.752 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.800 14.060 -20.587 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.665 13.828 -22.333 1.00 0.00 H new ATOM 1079 N LYS A 67 7.624 13.698 -22.202 1.00 0.00 N ATOM 1080 CA LYS A 67 8.843 13.451 -21.448 1.00 0.00 C ATOM 1081 C LYS A 67 8.542 12.859 -20.069 1.00 0.00 C ATOM 1082 O LYS A 67 9.195 11.903 -19.654 1.00 0.00 O ATOM 1083 CB LYS A 67 9.681 14.733 -21.307 1.00 0.00 C ATOM 1084 CG LYS A 67 9.019 15.841 -20.503 1.00 0.00 C ATOM 1085 CD LYS A 67 10.005 16.953 -20.183 1.00 0.00 C ATOM 1086 CE LYS A 67 9.381 18.025 -19.299 1.00 0.00 C ATOM 1087 NZ LYS A 67 8.291 18.760 -19.993 1.00 0.00 N ATOM 0 H LYS A 67 7.404 14.683 -22.350 1.00 0.00 H new ATOM 0 HA LYS A 67 9.424 12.720 -22.010 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.631 14.480 -20.837 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.910 15.112 -22.303 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.178 16.248 -21.064 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.616 15.431 -19.577 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.878 16.532 -19.683 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.356 17.406 -21.110 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.987 17.563 -18.394 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.151 18.730 -18.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.953 19.534 -19.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.651 19.152 -20.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.505 18.108 -20.193 1.00 0.00 H new ATOM 1101 N ALA A 68 7.520 13.391 -19.399 1.00 0.00 N ATOM 1102 CA ALA A 68 7.250 13.069 -17.996 1.00 0.00 C ATOM 1103 C ALA A 68 7.103 11.569 -17.761 1.00 0.00 C ATOM 1104 O ALA A 68 7.766 11.004 -16.886 1.00 0.00 O ATOM 1105 CB ALA A 68 6.006 13.803 -17.519 1.00 0.00 C ATOM 0 H ALA A 68 6.860 14.052 -19.808 1.00 0.00 H new ATOM 0 HA ALA A 68 8.112 13.401 -17.417 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.816 13.556 -16.475 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.158 14.878 -17.615 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.151 13.502 -18.125 1.00 0.00 H new ATOM 1111 N GLU A 69 6.231 10.932 -18.538 1.00 0.00 N ATOM 1112 CA GLU A 69 6.012 9.494 -18.436 1.00 0.00 C ATOM 1113 C GLU A 69 7.338 8.747 -18.526 1.00 0.00 C ATOM 1114 O GLU A 69 7.704 7.998 -17.624 1.00 0.00 O ATOM 1115 CB GLU A 69 5.067 8.993 -19.539 1.00 0.00 C ATOM 1116 CG GLU A 69 3.654 9.556 -19.472 1.00 0.00 C ATOM 1117 CD GLU A 69 3.564 10.990 -19.953 1.00 0.00 C ATOM 1118 OE1 GLU A 69 3.378 11.200 -21.171 1.00 0.00 O ATOM 1119 OE2 GLU A 69 3.689 11.909 -19.117 1.00 0.00 O ATOM 0 H GLU A 69 5.662 11.393 -19.248 1.00 0.00 H new ATOM 0 HA GLU A 69 5.549 9.300 -17.468 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.497 9.244 -20.509 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.013 7.906 -19.486 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.992 8.934 -20.075 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.295 9.500 -18.444 1.00 0.00 H new ATOM 1126 N HIS A 70 8.067 8.991 -19.606 1.00 0.00 N ATOM 1127 CA HIS A 70 9.338 8.323 -19.851 1.00 0.00 C ATOM 1128 C HIS A 70 10.336 8.579 -18.733 1.00 0.00 C ATOM 1129 O HIS A 70 11.007 7.659 -18.275 1.00 0.00 O ATOM 1130 CB HIS A 70 9.939 8.794 -21.171 1.00 0.00 C ATOM 1131 CG HIS A 70 9.205 8.325 -22.383 1.00 0.00 C ATOM 1132 ND1 HIS A 70 9.766 7.475 -23.309 1.00 0.00 N ATOM 1133 CD2 HIS A 70 7.968 8.622 -22.849 1.00 0.00 C ATOM 1134 CE1 HIS A 70 8.912 7.275 -24.288 1.00 0.00 C ATOM 1135 NE2 HIS A 70 7.815 7.955 -24.035 1.00 0.00 N ATOM 0 H HIS A 70 7.797 9.653 -20.333 1.00 0.00 H new ATOM 0 HA HIS A 70 9.135 7.253 -19.894 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.966 9.884 -21.176 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.971 8.449 -21.230 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.240 9.264 -22.375 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.083 6.655 -25.156 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.985 7.981 -24.627 1.00 0.00 H new ATOM 1144 N GLU A 71 10.434 9.826 -18.294 1.00 0.00 N ATOM 1145 CA GLU A 71 11.424 10.199 -17.295 1.00 0.00 C ATOM 1146 C GLU A 71 11.168 9.484 -15.976 1.00 0.00 C ATOM 1147 O GLU A 71 12.107 9.006 -15.342 1.00 0.00 O ATOM 1148 CB GLU A 71 11.457 11.715 -17.102 1.00 0.00 C ATOM 1149 CG GLU A 71 11.848 12.458 -18.369 1.00 0.00 C ATOM 1150 CD GLU A 71 11.988 13.952 -18.173 1.00 0.00 C ATOM 1151 OE1 GLU A 71 11.081 14.572 -17.578 1.00 0.00 O ATOM 1152 OE2 GLU A 71 12.999 14.514 -18.643 1.00 0.00 O ATOM 0 H GLU A 71 9.842 10.593 -18.613 1.00 0.00 H new ATOM 0 HA GLU A 71 12.403 9.885 -17.658 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.476 12.057 -16.773 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.163 11.961 -16.309 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.792 12.058 -18.739 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.099 12.269 -19.138 1.00 0.00 H new ATOM 1159 N SER A 72 9.905 9.386 -15.573 1.00 0.00 N ATOM 1160 CA SER A 72 9.564 8.668 -14.349 1.00 0.00 C ATOM 1161 C SER A 72 9.885 7.176 -14.494 1.00 0.00 C ATOM 1162 O SER A 72 10.310 6.522 -13.537 1.00 0.00 O ATOM 1163 CB SER A 72 8.089 8.884 -13.980 1.00 0.00 C ATOM 1164 OG SER A 72 7.216 8.492 -15.026 1.00 0.00 O ATOM 0 H SER A 72 9.110 9.789 -16.068 1.00 0.00 H new ATOM 0 HA SER A 72 10.171 9.067 -13.536 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.854 8.316 -13.080 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.924 9.936 -13.746 1.00 0.00 H new ATOM 0 HG SER A 72 7.732 8.352 -15.847 1.00 0.00 H new ATOM 1170 N ILE A 73 9.704 6.654 -15.706 1.00 0.00 N ATOM 1171 CA ILE A 73 10.038 5.266 -16.013 1.00 0.00 C ATOM 1172 C ILE A 73 11.516 4.988 -15.747 1.00 0.00 C ATOM 1173 O ILE A 73 11.867 4.127 -14.938 1.00 0.00 O ATOM 1174 CB ILE A 73 9.721 4.929 -17.490 1.00 0.00 C ATOM 1175 CG1 ILE A 73 8.212 4.998 -17.741 1.00 0.00 C ATOM 1176 CG2 ILE A 73 10.263 3.555 -17.861 1.00 0.00 C ATOM 1177 CD1 ILE A 73 7.829 4.877 -19.203 1.00 0.00 C ATOM 0 H ILE A 73 9.325 7.177 -16.496 1.00 0.00 H new ATOM 0 HA ILE A 73 9.429 4.638 -15.363 1.00 0.00 H new ATOM 0 HB ILE A 73 10.212 5.669 -18.122 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.723 4.202 -17.180 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.831 5.942 -17.352 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.028 3.340 -18.904 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.344 3.541 -17.722 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.805 2.799 -17.223 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.745 4.935 -19.301 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.288 5.688 -19.768 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.178 3.921 -19.593 1.00 0.00 H new ATOM 1189 N ILE A 74 12.385 5.746 -16.402 1.00 0.00 N ATOM 1190 CA ILE A 74 13.817 5.499 -16.308 1.00 0.00 C ATOM 1191 C ILE A 74 14.353 5.917 -14.938 1.00 0.00 C ATOM 1192 O ILE A 74 15.446 5.515 -14.538 1.00 0.00 O ATOM 1193 CB ILE A 74 14.610 6.208 -17.426 1.00 0.00 C ATOM 1194 CG1 ILE A 74 13.746 6.388 -18.678 1.00 0.00 C ATOM 1195 CG2 ILE A 74 15.834 5.373 -17.770 1.00 0.00 C ATOM 1196 CD1 ILE A 74 14.428 7.158 -19.790 1.00 0.00 C ATOM 0 H ILE A 74 12.126 6.531 -17.000 1.00 0.00 H new ATOM 0 HA ILE A 74 13.959 4.426 -16.435 1.00 0.00 H new ATOM 0 HB ILE A 74 14.912 7.194 -17.073 1.00 0.00 H new ATOM 0 HG12 ILE A 74 13.458 5.406 -19.053 1.00 0.00 H new ATOM 0 HG13 ILE A 74 12.827 6.905 -18.402 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.401 5.866 -18.560 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.462 5.266 -16.885 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.518 4.388 -18.112 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.752 7.243 -20.641 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.691 8.154 -19.434 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.332 6.631 -20.096 1.00 0.00 H new ATOM 1208 N SER A 75 13.573 6.709 -14.208 1.00 0.00 N ATOM 1209 CA SER A 75 13.906 7.028 -12.825 1.00 0.00 C ATOM 1210 C SER A 75 13.775 5.773 -11.968 1.00 0.00 C ATOM 1211 O SER A 75 14.568 5.544 -11.053 1.00 0.00 O ATOM 1212 CB SER A 75 13.004 8.139 -12.288 1.00 0.00 C ATOM 1213 OG SER A 75 13.200 9.348 -13.006 1.00 0.00 O ATOM 0 H SER A 75 12.713 7.138 -14.548 1.00 0.00 H new ATOM 0 HA SER A 75 14.935 7.386 -12.785 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.961 7.833 -12.363 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.213 8.302 -11.231 1.00 0.00 H new ATOM 0 HG SER A 75 12.589 9.376 -13.772 1.00 0.00 H new ATOM 1219 N ASN A 76 12.781 4.949 -12.289 1.00 0.00 N ATOM 1220 CA ASN A 76 12.629 3.653 -11.640 1.00 0.00 C ATOM 1221 C ASN A 76 13.794 2.743 -12.013 1.00 0.00 C ATOM 1222 O ASN A 76 14.245 1.931 -11.203 1.00 0.00 O ATOM 1223 CB ASN A 76 11.300 2.990 -12.020 1.00 0.00 C ATOM 1224 CG ASN A 76 10.128 3.496 -11.198 1.00 0.00 C ATOM 1225 OD1 ASN A 76 9.832 2.960 -10.130 1.00 0.00 O ATOM 1226 ND2 ASN A 76 9.449 4.523 -11.686 1.00 0.00 N ATOM 0 H ASN A 76 12.072 5.156 -12.992 1.00 0.00 H new ATOM 0 HA ASN A 76 12.627 3.814 -10.562 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.100 3.169 -13.076 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.388 1.911 -11.891 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.650 4.896 -11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.725 4.941 -12.575 1.00 0.00 H new ATOM 1233 N LEU A 77 14.278 2.882 -13.243 1.00 0.00 N ATOM 1234 CA LEU A 77 15.481 2.171 -13.670 1.00 0.00 C ATOM 1235 C LEU A 77 16.680 2.635 -12.850 1.00 0.00 C ATOM 1236 O LEU A 77 17.536 1.835 -12.469 1.00 0.00 O ATOM 1237 CB LEU A 77 15.764 2.409 -15.157 1.00 0.00 C ATOM 1238 CG LEU A 77 17.002 1.688 -15.697 1.00 0.00 C ATOM 1239 CD1 LEU A 77 16.774 0.187 -15.722 1.00 0.00 C ATOM 1240 CD2 LEU A 77 17.365 2.202 -17.081 1.00 0.00 C ATOM 0 H LEU A 77 13.860 3.476 -13.959 1.00 0.00 H new ATOM 0 HA LEU A 77 15.315 1.105 -13.512 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.895 2.091 -15.733 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.883 3.480 -15.323 1.00 0.00 H new ATOM 0 HG LEU A 77 17.838 1.897 -15.030 1.00 0.00 H new ATOM 0 HD11 LEU A 77 17.664 -0.310 -16.109 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.571 -0.167 -14.711 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.923 -0.041 -16.364 1.00 0.00 H new ATOM 0 HD21 LEU A 77 18.247 1.676 -17.445 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.533 2.029 -17.763 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.576 3.270 -17.029 1.00 0.00 H new ATOM 1252 N GLY A 78 16.714 3.929 -12.567 1.00 0.00 N ATOM 1253 CA GLY A 78 17.803 4.502 -11.809 1.00 0.00 C ATOM 1254 C GLY A 78 18.766 5.269 -12.688 1.00 0.00 C ATOM 1255 O GLY A 78 19.931 5.450 -12.336 1.00 0.00 O ATOM 0 H GLY A 78 15.998 4.597 -12.853 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.402 5.168 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.340 3.708 -11.290 1.00 0.00 H new ATOM 1259 N ARG A 79 18.281 5.725 -13.834 1.00 0.00 N ATOM 1260 CA ARG A 79 19.122 6.448 -14.773 1.00 0.00 C ATOM 1261 C ARG A 79 18.428 7.727 -15.227 1.00 0.00 C ATOM 1262 O ARG A 79 17.288 7.694 -15.687 1.00 0.00 O ATOM 1263 CB ARG A 79 19.443 5.563 -15.980 1.00 0.00 C ATOM 1264 CG ARG A 79 20.872 5.708 -16.484 1.00 0.00 C ATOM 1265 CD ARG A 79 21.159 7.106 -17.007 1.00 0.00 C ATOM 1266 NE ARG A 79 22.573 7.286 -17.318 1.00 0.00 N ATOM 1267 CZ ARG A 79 23.181 8.466 -17.391 1.00 0.00 C ATOM 1268 NH1 ARG A 79 22.489 9.591 -17.244 1.00 0.00 N ATOM 1269 NH2 ARG A 79 24.484 8.517 -17.633 1.00 0.00 N ATOM 0 H ARG A 79 17.313 5.607 -14.134 1.00 0.00 H new ATOM 0 HA ARG A 79 20.054 6.716 -14.275 1.00 0.00 H new ATOM 0 HB2 ARG A 79 19.266 4.521 -15.713 1.00 0.00 H new ATOM 0 HB3 ARG A 79 18.755 5.806 -16.790 1.00 0.00 H new ATOM 0 HG2 ARG A 79 21.565 5.475 -15.676 1.00 0.00 H new ATOM 0 HG3 ARG A 79 21.051 4.982 -17.277 1.00 0.00 H new ATOM 0 HD2 ARG A 79 20.563 7.289 -17.901 1.00 0.00 H new ATOM 0 HD3 ARG A 79 20.853 7.842 -16.264 1.00 0.00 H new ATOM 0 HE ARG A 79 23.132 6.451 -17.491 1.00 0.00 H new ATOM 0 HH11 ARG A 79 21.484 9.553 -17.074 1.00 0.00 H new ATOM 0 HH12 ARG A 79 22.963 10.492 -17.301 1.00 0.00 H new ATOM 0 HH21 ARG A 79 25.013 7.654 -17.762 1.00 0.00 H new ATOM 0 HH22 ARG A 79 24.957 9.419 -17.690 1.00 0.00 H new ATOM 1283 N ASN A 80 19.116 8.849 -15.080 1.00 0.00 N ATOM 1284 CA ASN A 80 18.580 10.141 -15.494 1.00 0.00 C ATOM 1285 C ASN A 80 18.594 10.274 -17.014 1.00 0.00 C ATOM 1286 O ASN A 80 19.579 9.910 -17.661 1.00 0.00 O ATOM 1287 CB ASN A 80 19.400 11.281 -14.882 1.00 0.00 C ATOM 1288 CG ASN A 80 19.312 11.337 -13.368 1.00 0.00 C ATOM 1289 OD1 ASN A 80 20.274 11.710 -12.699 1.00 0.00 O ATOM 1290 ND2 ASN A 80 18.159 10.982 -12.818 1.00 0.00 N ATOM 0 H ASN A 80 20.051 8.893 -14.675 1.00 0.00 H new ATOM 0 HA ASN A 80 17.551 10.202 -15.141 1.00 0.00 H new ATOM 0 HB2 ASN A 80 20.444 11.166 -15.175 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.056 12.229 -15.295 1.00 0.00 H new ATOM 0 HD21 ASN A 80 18.046 11.013 -11.805 1.00 0.00 H new ATOM 0 HD22 ASN A 80 17.385 10.678 -13.408 1.00 0.00 H new ATOM 1297 N PRO A 81 17.506 10.795 -17.608 1.00 0.00 N ATOM 1298 CA PRO A 81 17.436 11.075 -19.044 1.00 0.00 C ATOM 1299 C PRO A 81 18.130 12.393 -19.388 1.00 0.00 C ATOM 1300 O PRO A 81 17.587 13.223 -20.119 1.00 0.00 O ATOM 1301 CB PRO A 81 15.927 11.174 -19.328 1.00 0.00 C ATOM 1302 CG PRO A 81 15.235 10.904 -18.028 1.00 0.00 C ATOM 1303 CD PRO A 81 16.246 11.143 -16.945 1.00 0.00 C ATOM 0 HA PRO A 81 17.935 10.309 -19.638 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.667 12.162 -19.709 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.626 10.451 -20.086 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.373 11.560 -17.905 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.864 9.880 -17.992 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.239 12.178 -16.604 1.00 0.00 H new ATOM 0 HD3 PRO A 81 16.061 10.518 -16.071 1.00 0.00 H new ATOM 1311 N SER A 82 19.351 12.535 -18.887 1.00 0.00 N ATOM 1312 CA SER A 82 20.102 13.785 -18.932 1.00 0.00 C ATOM 1313 C SER A 82 20.140 14.415 -20.328 1.00 0.00 C ATOM 1314 O SER A 82 19.764 15.573 -20.500 1.00 0.00 O ATOM 1315 CB SER A 82 21.523 13.516 -18.443 1.00 0.00 C ATOM 1316 OG SER A 82 21.510 12.583 -17.373 1.00 0.00 O ATOM 0 H SER A 82 19.855 11.774 -18.431 1.00 0.00 H new ATOM 0 HA SER A 82 19.594 14.502 -18.287 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.130 13.131 -19.263 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.984 14.448 -18.116 1.00 0.00 H new ATOM 0 HG SER A 82 22.428 12.419 -17.071 1.00 0.00 H new ATOM 1322 N ASP A 83 20.577 13.655 -21.323 1.00 0.00 N ATOM 1323 CA ASP A 83 20.771 14.207 -22.661 1.00 0.00 C ATOM 1324 C ASP A 83 19.674 13.733 -23.612 1.00 0.00 C ATOM 1325 O ASP A 83 19.854 13.696 -24.830 1.00 0.00 O ATOM 1326 CB ASP A 83 22.149 13.813 -23.200 1.00 0.00 C ATOM 1327 CG ASP A 83 22.640 14.732 -24.308 1.00 0.00 C ATOM 1328 OD1 ASP A 83 21.861 15.583 -24.793 1.00 0.00 O ATOM 1329 OD2 ASP A 83 23.822 14.623 -24.692 1.00 0.00 O ATOM 0 H ASP A 83 20.802 12.664 -21.233 1.00 0.00 H new ATOM 0 HA ASP A 83 20.715 15.293 -22.594 1.00 0.00 H new ATOM 0 HB2 ASP A 83 22.869 13.823 -22.382 1.00 0.00 H new ATOM 0 HB3 ASP A 83 22.107 12.791 -23.576 1.00 0.00 H new ATOM 1334 N PHE A 84 18.529 13.381 -23.057 1.00 0.00 N ATOM 1335 CA PHE A 84 17.392 12.986 -23.870 1.00 0.00 C ATOM 1336 C PHE A 84 16.339 14.081 -23.840 1.00 0.00 C ATOM 1337 O PHE A 84 15.835 14.438 -22.778 1.00 0.00 O ATOM 1338 CB PHE A 84 16.806 11.660 -23.382 1.00 0.00 C ATOM 1339 CG PHE A 84 17.784 10.517 -23.438 1.00 0.00 C ATOM 1340 CD1 PHE A 84 18.426 10.191 -24.624 1.00 0.00 C ATOM 1341 CD2 PHE A 84 18.069 9.778 -22.304 1.00 0.00 C ATOM 1342 CE1 PHE A 84 19.330 9.146 -24.675 1.00 0.00 C ATOM 1343 CE2 PHE A 84 18.973 8.733 -22.348 1.00 0.00 C ATOM 1344 CZ PHE A 84 19.604 8.417 -23.536 1.00 0.00 C ATOM 0 H PHE A 84 18.361 13.360 -22.051 1.00 0.00 H new ATOM 0 HA PHE A 84 17.727 12.842 -24.897 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.458 11.781 -22.356 1.00 0.00 H new ATOM 0 HB3 PHE A 84 15.934 11.412 -23.987 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.217 10.760 -25.518 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.579 10.020 -21.373 1.00 0.00 H new ATOM 0 HE1 PHE A 84 19.821 8.901 -25.605 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.186 8.164 -21.455 1.00 0.00 H new ATOM 0 HZ PHE A 84 20.310 7.601 -23.573 1.00 0.00 H new ATOM 1354 N LYS A 85 16.012 14.620 -25.004 1.00 0.00 N ATOM 1355 CA LYS A 85 15.097 15.746 -25.080 1.00 0.00 C ATOM 1356 C LYS A 85 13.821 15.361 -25.817 1.00 0.00 C ATOM 1357 O LYS A 85 12.736 15.837 -25.484 1.00 0.00 O ATOM 1358 CB LYS A 85 15.782 16.947 -25.750 1.00 0.00 C ATOM 1359 CG LYS A 85 16.281 16.670 -27.162 1.00 0.00 C ATOM 1360 CD LYS A 85 17.748 17.042 -27.324 1.00 0.00 C ATOM 1361 CE LYS A 85 18.642 16.185 -26.439 1.00 0.00 C ATOM 1362 NZ LYS A 85 20.077 16.542 -26.579 1.00 0.00 N ATOM 0 H LYS A 85 16.365 14.297 -25.905 1.00 0.00 H new ATOM 0 HA LYS A 85 14.819 16.034 -24.066 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.081 17.781 -25.781 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.624 17.262 -25.134 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.146 15.614 -27.395 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.682 17.234 -27.877 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.042 16.920 -28.366 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.887 18.094 -27.074 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.340 16.302 -25.398 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.504 15.134 -26.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.639 15.993 -25.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.396 16.326 -27.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.202 17.557 -26.392 1.00 0.00 H new ATOM 1376 N ASN A 86 13.946 14.469 -26.788 1.00 0.00 N ATOM 1377 CA ASN A 86 12.797 14.024 -27.566 1.00 0.00 C ATOM 1378 C ASN A 86 12.208 12.753 -26.953 1.00 0.00 C ATOM 1379 O ASN A 86 12.801 12.154 -26.049 1.00 0.00 O ATOM 1380 CB ASN A 86 13.209 13.786 -29.026 1.00 0.00 C ATOM 1381 CG ASN A 86 12.024 13.540 -29.943 1.00 0.00 C ATOM 1382 OD1 ASN A 86 11.632 12.397 -30.180 1.00 0.00 O ATOM 1383 ND2 ASN A 86 11.439 14.610 -30.451 1.00 0.00 N ATOM 0 H ASN A 86 14.831 14.038 -27.057 1.00 0.00 H new ATOM 0 HA ASN A 86 12.032 14.800 -27.548 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.767 14.650 -29.386 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.882 12.930 -29.073 1.00 0.00 H new ATOM 0 HD21 ASN A 86 10.631 14.506 -31.065 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.795 15.540 -30.229 1.00 0.00 H new ATOM 1390 N ALA A 87 11.036 12.354 -27.426 1.00 0.00 N ATOM 1391 CA ALA A 87 10.385 11.151 -26.938 1.00 0.00 C ATOM 1392 C ALA A 87 11.099 9.905 -27.454 1.00 0.00 C ATOM 1393 O ALA A 87 11.306 8.952 -26.703 1.00 0.00 O ATOM 1394 CB ALA A 87 8.921 11.135 -27.354 1.00 0.00 C ATOM 0 H ALA A 87 10.516 12.850 -28.150 1.00 0.00 H new ATOM 0 HA ALA A 87 10.438 11.150 -25.849 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.447 10.227 -26.981 1.00 0.00 H new ATOM 0 HB2 ALA A 87 8.415 12.006 -26.938 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.851 11.160 -28.441 1.00 0.00 H new ATOM 1400 N ASP A 88 11.495 9.942 -28.726 1.00 0.00 N ATOM 1401 CA ASP A 88 12.150 8.805 -29.382 1.00 0.00 C ATOM 1402 C ASP A 88 13.423 8.395 -28.655 1.00 0.00 C ATOM 1403 O ASP A 88 13.658 7.214 -28.419 1.00 0.00 O ATOM 1404 CB ASP A 88 12.480 9.144 -30.837 1.00 0.00 C ATOM 1405 CG ASP A 88 13.333 8.079 -31.501 1.00 0.00 C ATOM 1406 OD1 ASP A 88 12.775 7.055 -31.946 1.00 0.00 O ATOM 1407 OD2 ASP A 88 14.569 8.264 -31.581 1.00 0.00 O ATOM 0 H ASP A 88 11.373 10.755 -29.330 1.00 0.00 H new ATOM 0 HA ASP A 88 11.453 7.968 -29.352 1.00 0.00 H new ATOM 0 HB2 ASP A 88 11.553 9.265 -31.398 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.003 10.100 -30.875 1.00 0.00 H new ATOM 1412 N GLU A 89 14.227 9.383 -28.287 1.00 0.00 N ATOM 1413 CA GLU A 89 15.487 9.138 -27.590 1.00 0.00 C ATOM 1414 C GLU A 89 15.241 8.376 -26.290 1.00 0.00 C ATOM 1415 O GLU A 89 15.999 7.479 -25.918 1.00 0.00 O ATOM 1416 CB GLU A 89 16.177 10.467 -27.295 1.00 0.00 C ATOM 1417 CG GLU A 89 16.278 11.372 -28.508 1.00 0.00 C ATOM 1418 CD GLU A 89 16.956 12.687 -28.201 1.00 0.00 C ATOM 1419 OE1 GLU A 89 16.346 13.525 -27.505 1.00 0.00 O ATOM 1420 OE2 GLU A 89 18.094 12.894 -28.666 1.00 0.00 O ATOM 0 H GLU A 89 14.029 10.369 -28.460 1.00 0.00 H new ATOM 0 HA GLU A 89 16.130 8.532 -28.228 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.630 10.986 -26.508 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.178 10.271 -26.912 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.831 10.858 -29.294 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.278 11.566 -28.896 1.00 0.00 H new ATOM 1427 N ARG A 90 14.157 8.732 -25.614 1.00 0.00 N ATOM 1428 CA ARG A 90 13.777 8.067 -24.380 1.00 0.00 C ATOM 1429 C ARG A 90 13.234 6.670 -24.665 1.00 0.00 C ATOM 1430 O ARG A 90 13.396 5.761 -23.858 1.00 0.00 O ATOM 1431 CB ARG A 90 12.735 8.894 -23.633 1.00 0.00 C ATOM 1432 CG ARG A 90 13.283 10.177 -23.030 1.00 0.00 C ATOM 1433 CD ARG A 90 12.160 11.053 -22.499 1.00 0.00 C ATOM 1434 NE ARG A 90 12.652 12.179 -21.706 1.00 0.00 N ATOM 1435 CZ ARG A 90 12.798 13.419 -22.173 1.00 0.00 C ATOM 1436 NH1 ARG A 90 12.571 13.681 -23.457 1.00 0.00 N ATOM 1437 NH2 ARG A 90 13.177 14.397 -21.357 1.00 0.00 N ATOM 0 H ARG A 90 13.526 9.479 -25.902 1.00 0.00 H new ATOM 0 HA ARG A 90 14.665 7.971 -23.755 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.924 9.143 -24.318 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.305 8.285 -22.838 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.975 9.937 -22.222 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.850 10.724 -23.783 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.573 11.432 -23.336 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.490 10.448 -21.888 1.00 0.00 H new ATOM 0 HE ARG A 90 12.900 12.004 -20.732 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.284 12.932 -24.087 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.684 14.631 -23.811 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.356 14.199 -20.373 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.289 15.346 -21.715 1.00 0.00 H new ATOM 1451 N ILE A 91 12.587 6.508 -25.814 1.00 0.00 N ATOM 1452 CA ILE A 91 12.069 5.206 -26.222 1.00 0.00 C ATOM 1453 C ILE A 91 13.223 4.256 -26.512 1.00 0.00 C ATOM 1454 O ILE A 91 13.237 3.120 -26.042 1.00 0.00 O ATOM 1455 CB ILE A 91 11.173 5.313 -27.477 1.00 0.00 C ATOM 1456 CG1 ILE A 91 9.977 6.220 -27.199 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.701 3.935 -27.922 1.00 0.00 C ATOM 1458 CD1 ILE A 91 9.088 6.447 -28.400 1.00 0.00 C ATOM 0 H ILE A 91 12.409 7.261 -26.479 1.00 0.00 H new ATOM 0 HA ILE A 91 11.463 4.823 -25.401 1.00 0.00 H new ATOM 0 HB ILE A 91 11.763 5.749 -28.283 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.382 5.784 -26.396 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.340 7.183 -26.840 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.072 4.034 -28.807 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.565 3.313 -28.159 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.128 3.470 -27.120 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.261 7.101 -28.122 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.666 6.912 -29.198 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.694 5.492 -28.747 1.00 0.00 H new ATOM 1470 N ALA A 92 14.193 4.749 -27.274 1.00 0.00 N ATOM 1471 CA ALA A 92 15.371 3.973 -27.633 1.00 0.00 C ATOM 1472 C ALA A 92 16.079 3.441 -26.393 1.00 0.00 C ATOM 1473 O ALA A 92 16.453 2.270 -26.335 1.00 0.00 O ATOM 1474 CB ALA A 92 16.324 4.821 -28.461 1.00 0.00 C ATOM 0 H ALA A 92 14.184 5.694 -27.658 1.00 0.00 H new ATOM 0 HA ALA A 92 15.046 3.119 -28.227 1.00 0.00 H new ATOM 0 HB1 ALA A 92 17.202 4.230 -28.724 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.822 5.150 -29.371 1.00 0.00 H new ATOM 0 HB3 ALA A 92 16.633 5.692 -27.882 1.00 0.00 H new ATOM 1480 N TYR A 93 16.240 4.299 -25.390 1.00 0.00 N ATOM 1481 CA TYR A 93 16.926 3.908 -24.164 1.00 0.00 C ATOM 1482 C TYR A 93 16.143 2.828 -23.422 1.00 0.00 C ATOM 1483 O TYR A 93 16.726 1.879 -22.892 1.00 0.00 O ATOM 1484 CB TYR A 93 17.138 5.117 -23.252 1.00 0.00 C ATOM 1485 CG TYR A 93 18.142 4.857 -22.153 1.00 0.00 C ATOM 1486 CD1 TYR A 93 19.503 4.941 -22.411 1.00 0.00 C ATOM 1487 CD2 TYR A 93 17.736 4.512 -20.868 1.00 0.00 C ATOM 1488 CE1 TYR A 93 20.433 4.693 -21.424 1.00 0.00 C ATOM 1489 CE2 TYR A 93 18.662 4.261 -19.872 1.00 0.00 C ATOM 1490 CZ TYR A 93 20.011 4.353 -20.157 1.00 0.00 C ATOM 1491 OH TYR A 93 20.946 4.105 -19.179 1.00 0.00 O ATOM 0 H TYR A 93 15.907 5.263 -25.402 1.00 0.00 H new ATOM 0 HA TYR A 93 17.899 3.503 -24.443 1.00 0.00 H new ATOM 0 HB2 TYR A 93 17.474 5.963 -23.851 1.00 0.00 H new ATOM 0 HB3 TYR A 93 16.185 5.401 -22.806 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.840 5.205 -23.403 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.682 4.439 -20.645 1.00 0.00 H new ATOM 0 HE1 TYR A 93 21.488 4.765 -21.643 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.333 3.995 -18.878 1.00 0.00 H new ATOM 0 HH TYR A 93 21.681 4.748 -19.259 1.00 0.00 H new ATOM 1501 N ILE A 94 14.823 2.973 -23.393 1.00 0.00 N ATOM 1502 CA ILE A 94 13.968 2.000 -22.731 1.00 0.00 C ATOM 1503 C ILE A 94 13.996 0.667 -23.481 1.00 0.00 C ATOM 1504 O ILE A 94 14.135 -0.392 -22.872 1.00 0.00 O ATOM 1505 CB ILE A 94 12.509 2.514 -22.605 1.00 0.00 C ATOM 1506 CG1 ILE A 94 12.468 3.778 -21.733 1.00 0.00 C ATOM 1507 CG2 ILE A 94 11.603 1.435 -22.021 1.00 0.00 C ATOM 1508 CD1 ILE A 94 11.094 4.423 -21.637 1.00 0.00 C ATOM 0 H ILE A 94 14.324 3.754 -23.820 1.00 0.00 H new ATOM 0 HA ILE A 94 14.357 1.850 -21.724 1.00 0.00 H new ATOM 0 HB ILE A 94 12.143 2.761 -23.601 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.809 3.525 -20.729 1.00 0.00 H new ATOM 0 HG13 ILE A 94 13.172 4.507 -22.135 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.586 1.818 -21.942 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.612 0.561 -22.672 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.963 1.154 -21.031 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.151 5.308 -21.004 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.756 4.710 -22.633 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.388 3.713 -21.205 1.00 0.00 H new ATOM 1520 N LEU A 95 13.904 0.732 -24.806 1.00 0.00 N ATOM 1521 CA LEU A 95 13.945 -0.465 -25.645 1.00 0.00 C ATOM 1522 C LEU A 95 15.283 -1.191 -25.511 1.00 0.00 C ATOM 1523 O LEU A 95 15.327 -2.420 -25.431 1.00 0.00 O ATOM 1524 CB LEU A 95 13.686 -0.107 -27.114 1.00 0.00 C ATOM 1525 CG LEU A 95 12.233 -0.256 -27.587 1.00 0.00 C ATOM 1526 CD1 LEU A 95 11.822 -1.720 -27.593 1.00 0.00 C ATOM 1527 CD2 LEU A 95 11.287 0.553 -26.710 1.00 0.00 C ATOM 0 H LEU A 95 13.800 1.604 -25.325 1.00 0.00 H new ATOM 0 HA LEU A 95 13.157 -1.135 -25.301 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.999 0.924 -27.279 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.319 -0.736 -27.740 1.00 0.00 H new ATOM 0 HG LEU A 95 12.170 0.131 -28.604 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.789 -1.807 -27.931 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.472 -2.278 -28.267 1.00 0.00 H new ATOM 0 HD13 LEU A 95 11.909 -2.127 -26.585 1.00 0.00 H new ATOM 0 HD21 LEU A 95 10.265 0.430 -27.067 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.356 0.203 -25.680 1.00 0.00 H new ATOM 0 HD23 LEU A 95 11.562 1.607 -26.754 1.00 0.00 H new ATOM 1539 N LYS A 96 16.373 -0.432 -25.472 1.00 0.00 N ATOM 1540 CA LYS A 96 17.698 -1.018 -25.293 1.00 0.00 C ATOM 1541 C LYS A 96 17.827 -1.667 -23.920 1.00 0.00 C ATOM 1542 O LYS A 96 18.583 -2.622 -23.744 1.00 0.00 O ATOM 1543 CB LYS A 96 18.797 0.031 -25.474 1.00 0.00 C ATOM 1544 CG LYS A 96 19.050 0.409 -26.924 1.00 0.00 C ATOM 1545 CD LYS A 96 20.205 1.388 -27.048 1.00 0.00 C ATOM 1546 CE LYS A 96 20.567 1.641 -28.501 1.00 0.00 C ATOM 1547 NZ LYS A 96 21.689 2.605 -28.632 1.00 0.00 N ATOM 0 H LYS A 96 16.367 0.584 -25.561 1.00 0.00 H new ATOM 0 HA LYS A 96 17.819 -1.785 -26.058 1.00 0.00 H new ATOM 0 HB2 LYS A 96 18.526 0.928 -24.916 1.00 0.00 H new ATOM 0 HB3 LYS A 96 19.723 -0.347 -25.040 1.00 0.00 H new ATOM 0 HG2 LYS A 96 19.268 -0.488 -27.503 1.00 0.00 H new ATOM 0 HG3 LYS A 96 18.149 0.851 -27.349 1.00 0.00 H new ATOM 0 HD2 LYS A 96 19.938 2.330 -26.569 1.00 0.00 H new ATOM 0 HD3 LYS A 96 21.074 0.996 -26.518 1.00 0.00 H new ATOM 0 HE2 LYS A 96 20.840 0.699 -28.976 1.00 0.00 H new ATOM 0 HE3 LYS A 96 19.695 2.024 -29.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 21.906 2.751 -29.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 21.419 3.512 -28.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 22.529 2.228 -28.148 1.00 0.00 H new ATOM 1561 N GLN A 97 17.077 -1.157 -22.954 1.00 0.00 N ATOM 1562 CA GLN A 97 17.109 -1.697 -21.604 1.00 0.00 C ATOM 1563 C GLN A 97 16.247 -2.951 -21.513 1.00 0.00 C ATOM 1564 O GLN A 97 16.396 -3.755 -20.594 1.00 0.00 O ATOM 1565 CB GLN A 97 16.639 -0.650 -20.597 1.00 0.00 C ATOM 1566 CG GLN A 97 17.669 -0.352 -19.521 1.00 0.00 C ATOM 1567 CD GLN A 97 18.963 0.220 -20.079 1.00 0.00 C ATOM 1568 OE1 GLN A 97 20.039 -0.009 -19.532 1.00 0.00 O ATOM 1569 NE2 GLN A 97 18.868 0.983 -21.158 1.00 0.00 N ATOM 0 H GLN A 97 16.440 -0.371 -23.080 1.00 0.00 H new ATOM 0 HA GLN A 97 18.138 -1.966 -21.364 1.00 0.00 H new ATOM 0 HB2 GLN A 97 16.398 0.272 -21.126 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.719 -0.996 -20.125 1.00 0.00 H new ATOM 0 HG2 GLN A 97 17.245 0.353 -18.806 1.00 0.00 H new ATOM 0 HG3 GLN A 97 17.890 -1.268 -18.973 1.00 0.00 H new ATOM 0 HE21 GLN A 97 17.957 1.151 -21.585 1.00 0.00 H new ATOM 0 HE22 GLN A 97 19.706 1.402 -21.561 1.00 0.00 H new ATOM 1578 N ILE A 98 15.341 -3.109 -22.469 1.00 0.00 N ATOM 1579 CA ILE A 98 14.562 -4.332 -22.584 1.00 0.00 C ATOM 1580 C ILE A 98 15.445 -5.441 -23.142 1.00 0.00 C ATOM 1581 O ILE A 98 15.414 -6.578 -22.672 1.00 0.00 O ATOM 1582 CB ILE A 98 13.331 -4.138 -23.496 1.00 0.00 C ATOM 1583 CG1 ILE A 98 12.428 -3.037 -22.935 1.00 0.00 C ATOM 1584 CG2 ILE A 98 12.558 -5.441 -23.636 1.00 0.00 C ATOM 1585 CD1 ILE A 98 11.245 -2.706 -23.818 1.00 0.00 C ATOM 0 H ILE A 98 15.128 -2.405 -23.176 1.00 0.00 H new ATOM 0 HA ILE A 98 14.202 -4.602 -21.591 1.00 0.00 H new ATOM 0 HB ILE A 98 13.675 -3.838 -24.486 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.063 -3.344 -21.955 1.00 0.00 H new ATOM 0 HG13 ILE A 98 13.021 -2.135 -22.786 1.00 0.00 H new ATOM 0 HG21 ILE A 98 11.694 -5.284 -24.282 1.00 0.00 H new ATOM 0 HG22 ILE A 98 13.204 -6.202 -24.073 1.00 0.00 H new ATOM 0 HG23 ILE A 98 12.221 -5.771 -22.654 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.653 -1.918 -23.353 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.601 -2.367 -24.791 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.627 -3.595 -23.947 1.00 0.00 H new ATOM 1597 N ASP A 99 16.246 -5.087 -24.138 1.00 0.00 N ATOM 1598 CA ASP A 99 17.199 -6.019 -24.729 1.00 0.00 C ATOM 1599 C ASP A 99 18.269 -6.396 -23.712 1.00 0.00 C ATOM 1600 O ASP A 99 18.554 -7.573 -23.495 1.00 0.00 O ATOM 1601 CB ASP A 99 17.857 -5.395 -25.960 1.00 0.00 C ATOM 1602 CG ASP A 99 18.848 -6.327 -26.632 1.00 0.00 C ATOM 1603 OD1 ASP A 99 20.015 -6.390 -26.190 1.00 0.00 O ATOM 1604 OD2 ASP A 99 18.466 -6.987 -27.623 1.00 0.00 O ATOM 0 H ASP A 99 16.255 -4.157 -24.556 1.00 0.00 H new ATOM 0 HA ASP A 99 16.661 -6.918 -25.030 1.00 0.00 H new ATOM 0 HB2 ASP A 99 17.085 -5.115 -26.677 1.00 0.00 H new ATOM 0 HB3 ASP A 99 18.368 -4.478 -25.668 1.00 0.00 H new