USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 548 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 Single : A 13 MET CE :methyl -156:sc= -0.125 (180deg=-0.863) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0728) USER MOD Single : A 21 GLN : amide:sc= -0.364 K(o=-0.36,f=-1.3!) USER MOD Single : A 24 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.31) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 4:sc= 0.996 USER MOD Single : A 30 HIS : no HE2:sc= -1.19! X(o=-1.2!,f=-1.2) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -51:sc= 0.627 USER MOD Single : A 43 SER OG : rot -95:sc= 1.15 USER MOD Single : A 48 GLN : amide:sc= -0.499 K(o=-0.5,f=-3.7!) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -1.55 (180deg=-2.45!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.06 K(o=-0.06,f=-2!) USER MOD Single : A 53 SER OG : rot -130:sc= -0.778 USER MOD Single : A 57 HIS :FLIP no HE2:sc= -0.734 F(o=-1.4,f=-0.73) USER MOD Single : A 59 ASN : amide:sc= -0.395 X(o=-0.39,f=-0.21) USER MOD Single : A 60 SER OG : rot 102:sc= 0.997 USER MOD Single : A 61 THR OG1 : rot 100:sc= 0.997 USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0582) USER MOD Single : A 77 SER OG : rot -109:sc= -0.178 USER MOD Single : A 79 LYS NZ :NH3+ 147:sc= -0.379 (180deg=-1.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 13 60.039 4.353 13.966 1.00 1.00 N ATOM 2 CA MET A 13 58.911 4.946 13.195 1.00 1.00 C ATOM 3 C MET A 13 59.409 5.380 11.822 1.00 1.00 C ATOM 4 O MET A 13 58.696 5.260 10.830 1.00 1.00 O ATOM 5 CB MET A 13 58.353 6.150 13.957 1.00 1.00 C ATOM 6 CG MET A 13 57.704 5.680 15.260 1.00 1.00 C ATOM 7 SD MET A 13 56.984 7.100 16.123 1.00 1.00 S ATOM 8 CE MET A 13 58.536 7.909 16.602 1.00 1.00 C ATOM 0 HA MET A 13 58.121 4.206 13.069 1.00 1.00 H new ATOM 0 HB2 MET A 13 59.153 6.858 14.173 1.00 1.00 H new ATOM 0 HB3 MET A 13 57.620 6.674 13.343 1.00 1.00 H new ATOM 0 HG2 MET A 13 56.932 4.940 15.048 1.00 1.00 H new ATOM 0 HG3 MET A 13 58.446 5.194 15.894 1.00 1.00 H new ATOM 0 HE1 MET A 13 58.363 8.541 17.473 1.00 1.00 H new ATOM 0 HE2 MET A 13 59.281 7.152 16.845 1.00 1.00 H new ATOM 0 HE3 MET A 13 58.897 8.521 15.776 1.00 1.00 H new ATOM 18 N ARG A 14 60.641 5.869 11.773 1.00 1.00 N ATOM 19 CA ARG A 14 61.241 6.317 10.532 1.00 1.00 C ATOM 20 C ARG A 14 60.928 5.359 9.385 1.00 1.00 C ATOM 21 O ARG A 14 60.925 5.750 8.221 1.00 1.00 O ATOM 22 CB ARG A 14 62.746 6.427 10.723 1.00 1.00 C ATOM 23 CG ARG A 14 63.336 7.208 9.562 1.00 1.00 C ATOM 24 CD ARG A 14 64.837 7.374 9.777 1.00 1.00 C ATOM 25 NE ARG A 14 65.406 8.245 8.753 1.00 1.00 N ATOM 26 CZ ARG A 14 65.789 7.765 7.572 1.00 1.00 C ATOM 27 NH1 ARG A 14 65.658 6.493 7.313 1.00 1.00 N ATOM 28 NH2 ARG A 14 66.295 8.566 6.676 1.00 1.00 N ATOM 0 H ARG A 14 61.246 5.964 12.589 1.00 1.00 H new ATOM 0 HA ARG A 14 60.824 7.290 10.272 1.00 1.00 H new ATOM 0 HB2 ARG A 14 62.970 6.927 11.665 1.00 1.00 H new ATOM 0 HB3 ARG A 14 63.193 5.434 10.774 1.00 1.00 H new ATOM 0 HG2 ARG A 14 63.147 6.686 8.624 1.00 1.00 H new ATOM 0 HG3 ARG A 14 62.858 8.184 9.485 1.00 1.00 H new ATOM 0 HD2 ARG A 14 65.025 7.794 10.765 1.00 1.00 H new ATOM 0 HD3 ARG A 14 65.325 6.400 9.746 1.00 1.00 H new ATOM 0 HE ARG A 14 65.512 9.241 8.946 1.00 1.00 H new ATOM 0 HH11 ARG A 14 65.262 5.868 8.015 1.00 1.00 H new ATOM 0 HH12 ARG A 14 65.951 6.124 6.408 1.00 1.00 H new ATOM 0 HH21 ARG A 14 66.397 9.560 6.880 1.00 1.00 H new ATOM 0 HH22 ARG A 14 66.589 8.198 5.771 1.00 1.00 H new ATOM 42 N ILE A 15 60.677 4.102 9.722 1.00 1.00 N ATOM 43 CA ILE A 15 60.373 3.084 8.714 1.00 1.00 C ATOM 44 C ILE A 15 59.330 3.631 7.735 1.00 1.00 C ATOM 45 O ILE A 15 59.516 3.582 6.520 1.00 1.00 O ATOM 46 CB ILE A 15 59.849 1.779 9.400 1.00 1.00 C ATOM 47 CG1 ILE A 15 59.798 1.972 10.931 1.00 1.00 C ATOM 48 CG2 ILE A 15 60.782 0.593 9.081 1.00 1.00 C ATOM 49 CD1 ILE A 15 61.221 2.035 11.518 1.00 1.00 C ATOM 0 H ILE A 15 60.677 3.758 10.682 1.00 1.00 H new ATOM 0 HA ILE A 15 61.282 2.838 8.166 1.00 1.00 H new ATOM 0 HB ILE A 15 58.850 1.570 9.018 1.00 1.00 H new ATOM 0 HG12 ILE A 15 59.260 2.889 11.169 1.00 1.00 H new ATOM 0 HG13 ILE A 15 59.246 1.151 11.388 1.00 1.00 H new ATOM 0 HG21 ILE A 15 60.404 -0.308 9.565 1.00 1.00 H new ATOM 0 HG22 ILE A 15 60.817 0.438 8.003 1.00 1.00 H new ATOM 0 HG23 ILE A 15 61.785 0.810 9.449 1.00 1.00 H new ATOM 0 HD11 ILE A 15 61.163 2.171 12.598 1.00 1.00 H new ATOM 0 HD12 ILE A 15 61.747 1.106 11.297 1.00 1.00 H new ATOM 0 HD13 ILE A 15 61.761 2.872 11.075 1.00 1.00 H new ATOM 61 N TYR A 16 58.251 4.172 8.283 1.00 1.00 N ATOM 62 CA TYR A 16 57.190 4.752 7.469 1.00 1.00 C ATOM 63 C TYR A 16 57.798 5.835 6.586 1.00 1.00 C ATOM 64 O TYR A 16 57.533 5.901 5.387 1.00 1.00 O ATOM 65 CB TYR A 16 56.072 5.310 8.412 1.00 1.00 C ATOM 66 CG TYR A 16 56.051 6.842 8.432 1.00 1.00 C ATOM 67 CD1 TYR A 16 56.874 7.548 9.331 1.00 1.00 C ATOM 68 CD2 TYR A 16 55.213 7.556 7.554 1.00 1.00 C ATOM 69 CE1 TYR A 16 56.863 8.938 9.348 1.00 1.00 C ATOM 70 CE2 TYR A 16 55.208 8.956 7.579 1.00 1.00 C ATOM 71 CZ TYR A 16 56.032 9.647 8.475 1.00 1.00 C ATOM 72 OH TYR A 16 56.024 11.027 8.495 1.00 1.00 O ATOM 0 H TYR A 16 58.086 4.222 9.288 1.00 1.00 H new ATOM 0 HA TYR A 16 56.730 4.006 6.821 1.00 1.00 H new ATOM 0 HB2 TYR A 16 55.101 4.938 8.083 1.00 1.00 H new ATOM 0 HB3 TYR A 16 56.231 4.936 9.424 1.00 1.00 H new ATOM 0 HD1 TYR A 16 57.516 7.007 10.010 1.00 1.00 H new ATOM 0 HD2 TYR A 16 54.575 7.025 6.863 1.00 1.00 H new ATOM 0 HE1 TYR A 16 57.499 9.472 10.038 1.00 1.00 H new ATOM 0 HE2 TYR A 16 54.567 9.504 6.905 1.00 1.00 H new ATOM 0 HH TYR A 16 55.392 11.360 7.825 1.00 1.00 H new ATOM 82 N LYS A 17 58.639 6.660 7.189 1.00 1.00 N ATOM 83 CA LYS A 17 59.311 7.712 6.451 1.00 1.00 C ATOM 84 C LYS A 17 60.244 7.082 5.428 1.00 1.00 C ATOM 85 O LYS A 17 60.459 7.630 4.354 1.00 1.00 O ATOM 86 CB LYS A 17 60.106 8.615 7.398 1.00 1.00 C ATOM 87 CG LYS A 17 60.674 9.798 6.612 1.00 1.00 C ATOM 88 CD LYS A 17 61.412 10.742 7.564 1.00 1.00 C ATOM 89 CE LYS A 17 61.979 11.925 6.774 1.00 1.00 C ATOM 90 NZ LYS A 17 60.876 12.864 6.424 1.00 1.00 N ATOM 0 H LYS A 17 58.870 6.621 8.182 1.00 1.00 H new ATOM 0 HA LYS A 17 58.565 8.325 5.944 1.00 1.00 H new ATOM 0 HB2 LYS A 17 59.463 8.973 8.202 1.00 1.00 H new ATOM 0 HB3 LYS A 17 60.914 8.051 7.863 1.00 1.00 H new ATOM 0 HG2 LYS A 17 61.354 9.441 5.839 1.00 1.00 H new ATOM 0 HG3 LYS A 17 59.869 10.332 6.107 1.00 1.00 H new ATOM 0 HD2 LYS A 17 60.732 11.100 8.337 1.00 1.00 H new ATOM 0 HD3 LYS A 17 62.217 10.209 8.069 1.00 1.00 H new ATOM 0 HE2 LYS A 17 62.736 12.441 7.365 1.00 1.00 H new ATOM 0 HE3 LYS A 17 62.469 11.569 5.868 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 61.277 13.743 6.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 60.259 12.425 5.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 60.321 13.080 7.276 1.00 1.00 H new ATOM 104 N GLY A 18 60.794 5.921 5.772 1.00 1.00 N ATOM 105 CA GLY A 18 61.694 5.207 4.872 1.00 1.00 C ATOM 106 C GLY A 18 60.931 4.605 3.703 1.00 1.00 C ATOM 107 O GLY A 18 61.474 4.442 2.610 1.00 1.00 O ATOM 0 H GLY A 18 60.633 5.456 6.665 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.458 5.889 4.499 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.210 4.418 5.419 1.00 1.00 H new ATOM 111 N VAL A 19 59.673 4.252 3.950 1.00 1.00 N ATOM 112 CA VAL A 19 58.849 3.641 2.920 1.00 1.00 C ATOM 113 C VAL A 19 58.625 4.627 1.783 1.00 1.00 C ATOM 114 O VAL A 19 58.258 4.243 0.673 1.00 1.00 O ATOM 115 CB VAL A 19 57.513 3.165 3.521 1.00 1.00 C ATOM 116 CG1 VAL A 19 56.483 2.887 2.405 1.00 1.00 C ATOM 117 CG2 VAL A 19 57.746 1.867 4.307 1.00 1.00 C ATOM 0 H VAL A 19 59.207 4.379 4.849 1.00 1.00 H new ATOM 0 HA VAL A 19 59.363 2.769 2.516 1.00 1.00 H new ATOM 0 HB VAL A 19 57.129 3.947 4.177 1.00 1.00 H new ATOM 0 HG11 VAL A 19 55.546 2.552 2.850 1.00 1.00 H new ATOM 0 HG12 VAL A 19 56.308 3.800 1.836 1.00 1.00 H new ATOM 0 HG13 VAL A 19 56.867 2.113 1.741 1.00 1.00 H new ATOM 0 HG21 VAL A 19 56.803 1.526 4.734 1.00 1.00 H new ATOM 0 HG22 VAL A 19 58.139 1.102 3.637 1.00 1.00 H new ATOM 0 HG23 VAL A 19 58.462 2.050 5.108 1.00 1.00 H new ATOM 127 N ILE A 20 58.862 5.897 2.070 1.00 1.00 N ATOM 128 CA ILE A 20 58.696 6.950 1.074 1.00 1.00 C ATOM 129 C ILE A 20 59.490 6.580 -0.173 1.00 1.00 C ATOM 130 O ILE A 20 59.079 6.867 -1.294 1.00 1.00 O ATOM 131 CB ILE A 20 59.246 8.277 1.659 1.00 1.00 C ATOM 132 CG1 ILE A 20 58.236 8.877 2.672 1.00 1.00 C ATOM 133 CG2 ILE A 20 59.545 9.313 0.557 1.00 1.00 C ATOM 134 CD1 ILE A 20 56.881 9.200 1.997 1.00 1.00 C ATOM 0 H ILE A 20 59.170 6.227 2.985 1.00 1.00 H new ATOM 0 HA ILE A 20 57.643 7.066 0.817 1.00 1.00 H new ATOM 0 HB ILE A 20 60.182 8.043 2.165 1.00 1.00 H new ATOM 0 HG12 ILE A 20 58.078 8.174 3.490 1.00 1.00 H new ATOM 0 HG13 ILE A 20 58.652 9.785 3.108 1.00 1.00 H new ATOM 0 HG21 ILE A 20 59.928 10.227 1.011 1.00 1.00 H new ATOM 0 HG22 ILE A 20 60.289 8.909 -0.130 1.00 1.00 H new ATOM 0 HG23 ILE A 20 58.629 9.536 0.009 1.00 1.00 H new ATOM 0 HD11 ILE A 20 56.197 9.619 2.735 1.00 1.00 H new ATOM 0 HD12 ILE A 20 57.037 9.923 1.196 1.00 1.00 H new ATOM 0 HD13 ILE A 20 56.454 8.287 1.584 1.00 1.00 H new ATOM 146 N GLN A 21 60.628 5.939 0.039 1.00 1.00 N ATOM 147 CA GLN A 21 61.476 5.525 -1.068 1.00 1.00 C ATOM 148 C GLN A 21 60.624 4.816 -2.103 1.00 1.00 C ATOM 149 O GLN A 21 60.798 5.005 -3.308 1.00 1.00 O ATOM 150 CB GLN A 21 62.565 4.573 -0.560 1.00 1.00 C ATOM 151 CG GLN A 21 63.529 5.327 0.362 1.00 1.00 C ATOM 152 CD GLN A 21 64.561 4.363 0.938 1.00 1.00 C ATOM 153 OE1 GLN A 21 64.560 3.178 0.603 1.00 1.00 O ATOM 154 NE2 GLN A 21 65.446 4.805 1.788 1.00 1.00 N ATOM 0 H GLN A 21 60.985 5.695 0.963 1.00 1.00 H new ATOM 0 HA GLN A 21 61.949 6.400 -1.514 1.00 1.00 H new ATOM 0 HB2 GLN A 21 62.111 3.741 -0.023 1.00 1.00 H new ATOM 0 HB3 GLN A 21 63.111 4.149 -1.403 1.00 1.00 H new ATOM 0 HG2 GLN A 21 64.030 6.120 -0.193 1.00 1.00 H new ATOM 0 HG3 GLN A 21 62.974 5.804 1.170 1.00 1.00 H new ATOM 0 HE21 GLN A 21 65.443 5.787 2.063 1.00 1.00 H new ATOM 0 HE22 GLN A 21 66.141 4.168 2.178 1.00 1.00 H new ATOM 163 N ALA A 22 59.673 4.027 -1.621 1.00 1.00 N ATOM 164 CA ALA A 22 58.768 3.325 -2.513 1.00 1.00 C ATOM 165 C ALA A 22 57.895 4.345 -3.243 1.00 1.00 C ATOM 166 O ALA A 22 57.659 4.227 -4.444 1.00 1.00 O ATOM 167 CB ALA A 22 57.879 2.363 -1.720 1.00 1.00 C ATOM 0 H ALA A 22 59.511 3.860 -0.628 1.00 1.00 H new ATOM 0 HA ALA A 22 59.350 2.750 -3.233 1.00 1.00 H new ATOM 0 HB1 ALA A 22 57.206 1.844 -2.402 1.00 1.00 H new ATOM 0 HB2 ALA A 22 58.503 1.635 -1.202 1.00 1.00 H new ATOM 0 HB3 ALA A 22 57.295 2.925 -0.991 1.00 1.00 H new ATOM 173 N ILE A 23 57.433 5.353 -2.494 1.00 1.00 N ATOM 174 CA ILE A 23 56.598 6.408 -3.063 1.00 1.00 C ATOM 175 C ILE A 23 57.384 7.242 -4.070 1.00 1.00 C ATOM 176 O ILE A 23 56.880 7.564 -5.146 1.00 1.00 O ATOM 177 CB ILE A 23 56.043 7.316 -1.946 1.00 1.00 C ATOM 178 CG1 ILE A 23 54.942 6.583 -1.169 1.00 1.00 C ATOM 179 CG2 ILE A 23 55.462 8.606 -2.545 1.00 1.00 C ATOM 180 CD1 ILE A 23 55.457 5.242 -0.643 1.00 1.00 C ATOM 0 H ILE A 23 57.624 5.457 -1.497 1.00 1.00 H new ATOM 0 HA ILE A 23 55.765 5.935 -3.583 1.00 1.00 H new ATOM 0 HB ILE A 23 56.861 7.568 -1.271 1.00 1.00 H new ATOM 0 HG12 ILE A 23 54.604 7.201 -0.337 1.00 1.00 H new ATOM 0 HG13 ILE A 23 54.080 6.419 -1.816 1.00 1.00 H new ATOM 0 HG21 ILE A 23 55.074 9.236 -1.745 1.00 1.00 H new ATOM 0 HG22 ILE A 23 56.244 9.142 -3.083 1.00 1.00 H new ATOM 0 HG23 ILE A 23 54.655 8.356 -3.233 1.00 1.00 H new ATOM 0 HD11 ILE A 23 54.662 4.737 -0.095 1.00 1.00 H new ATOM 0 HD12 ILE A 23 55.772 4.620 -1.480 1.00 1.00 H new ATOM 0 HD13 ILE A 23 56.304 5.413 0.021 1.00 1.00 H new ATOM 192 N GLN A 24 58.615 7.596 -3.708 1.00 1.00 N ATOM 193 CA GLN A 24 59.456 8.404 -4.576 1.00 1.00 C ATOM 194 C GLN A 24 59.751 7.685 -5.874 1.00 1.00 C ATOM 195 O GLN A 24 60.160 8.319 -6.846 1.00 1.00 O ATOM 196 CB GLN A 24 60.774 8.750 -3.879 1.00 1.00 C ATOM 197 CG GLN A 24 60.516 9.768 -2.771 1.00 1.00 C ATOM 198 CD GLN A 24 60.144 11.119 -3.372 1.00 1.00 C ATOM 199 OE1 GLN A 24 60.863 11.638 -4.226 1.00 1.00 O ATOM 200 NE2 GLN A 24 59.056 11.724 -2.976 1.00 1.00 N ATOM 0 H GLN A 24 59.048 7.335 -2.822 1.00 1.00 H new ATOM 0 HA GLN A 24 58.911 9.322 -4.798 1.00 1.00 H new ATOM 0 HB2 GLN A 24 61.224 7.849 -3.461 1.00 1.00 H new ATOM 0 HB3 GLN A 24 61.483 9.155 -4.601 1.00 1.00 H new ATOM 0 HG2 GLN A 24 59.712 9.416 -2.124 1.00 1.00 H new ATOM 0 HG3 GLN A 24 61.405 9.871 -2.148 1.00 1.00 H new ATOM 0 HE21 GLN A 24 58.461 11.293 -2.268 1.00 1.00 H new ATOM 0 HE22 GLN A 24 58.801 12.628 -3.374 1.00 1.00 H new ATOM 209 N LYS A 25 59.562 6.359 -5.884 1.00 1.00 N ATOM 210 CA LYS A 25 59.828 5.563 -7.098 1.00 1.00 C ATOM 211 C LYS A 25 59.537 6.378 -8.361 1.00 1.00 C ATOM 212 O LYS A 25 60.447 6.709 -9.120 1.00 1.00 O ATOM 213 CB LYS A 25 58.969 4.290 -7.102 1.00 1.00 C ATOM 214 CG LYS A 25 59.215 3.496 -8.395 1.00 1.00 C ATOM 215 CD LYS A 25 58.391 2.207 -8.366 1.00 1.00 C ATOM 216 CE LYS A 25 58.599 1.439 -9.673 1.00 1.00 C ATOM 217 NZ LYS A 25 57.803 0.179 -9.639 1.00 1.00 N ATOM 0 H LYS A 25 59.232 5.819 -5.084 1.00 1.00 H new ATOM 0 HA LYS A 25 60.883 5.288 -7.092 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.211 3.675 -6.236 1.00 1.00 H new ATOM 0 HB3 LYS A 25 57.914 4.553 -7.021 1.00 1.00 H new ATOM 0 HG2 LYS A 25 58.940 4.097 -9.262 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.275 3.261 -8.494 1.00 1.00 H new ATOM 0 HD2 LYS A 25 58.690 1.591 -7.518 1.00 1.00 H new ATOM 0 HD3 LYS A 25 57.335 2.441 -8.233 1.00 1.00 H new ATOM 0 HE2 LYS A 25 58.293 2.052 -10.521 1.00 1.00 H new ATOM 0 HE3 LYS A 25 59.656 1.211 -9.809 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 57.943 -0.344 -10.527 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 58.115 -0.407 -8.839 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 56.795 0.408 -9.528 1.00 1.00 H new ATOM 231 N SER A 26 58.267 6.705 -8.570 1.00 1.00 N ATOM 232 CA SER A 26 57.872 7.488 -9.734 1.00 1.00 C ATOM 233 C SER A 26 56.410 7.926 -9.617 1.00 1.00 C ATOM 234 O SER A 26 56.088 8.884 -8.915 1.00 1.00 O ATOM 235 CB SER A 26 58.090 6.674 -11.015 1.00 1.00 C ATOM 236 OG SER A 26 59.477 6.627 -11.325 1.00 1.00 O ATOM 0 H SER A 26 57.498 6.442 -7.953 1.00 1.00 H new ATOM 0 HA SER A 26 58.492 8.383 -9.779 1.00 1.00 H new ATOM 0 HB2 SER A 26 57.702 5.664 -10.885 1.00 1.00 H new ATOM 0 HB3 SER A 26 57.538 7.123 -11.841 1.00 1.00 H new ATOM 0 HG SER A 26 59.986 7.070 -10.615 1.00 1.00 H new ATOM 242 N ASP A 27 55.542 7.207 -10.310 1.00 1.00 N ATOM 243 CA ASP A 27 54.108 7.480 -10.316 1.00 1.00 C ATOM 244 C ASP A 27 53.348 6.163 -10.443 1.00 1.00 C ATOM 245 O ASP A 27 52.259 6.108 -11.016 1.00 1.00 O ATOM 246 CB ASP A 27 53.747 8.405 -11.483 1.00 1.00 C ATOM 247 CG ASP A 27 54.172 9.839 -11.171 1.00 1.00 C ATOM 248 OD1 ASP A 27 54.417 10.127 -10.012 1.00 1.00 O ATOM 249 OD2 ASP A 27 54.239 10.629 -12.097 1.00 1.00 O ATOM 0 H ASP A 27 55.811 6.412 -10.889 1.00 1.00 H new ATOM 0 HA ASP A 27 53.833 7.975 -9.385 1.00 1.00 H new ATOM 0 HB2 ASP A 27 54.238 8.062 -12.394 1.00 1.00 H new ATOM 0 HB3 ASP A 27 52.673 8.368 -11.667 1.00 1.00 H new ATOM 254 N GLU A 28 53.937 5.100 -9.893 1.00 1.00 N ATOM 255 CA GLU A 28 53.326 3.773 -9.929 1.00 1.00 C ATOM 256 C GLU A 28 53.432 3.117 -8.564 1.00 1.00 C ATOM 257 O GLU A 28 53.454 1.894 -8.454 1.00 1.00 O ATOM 258 CB GLU A 28 54.014 2.881 -10.964 1.00 1.00 C ATOM 259 CG GLU A 28 53.704 3.390 -12.373 1.00 1.00 C ATOM 260 CD GLU A 28 54.445 2.552 -13.409 1.00 1.00 C ATOM 261 OE1 GLU A 28 55.126 1.621 -13.013 1.00 1.00 O ATOM 262 OE2 GLU A 28 54.319 2.853 -14.584 1.00 1.00 O ATOM 0 H GLU A 28 54.838 5.134 -9.417 1.00 1.00 H new ATOM 0 HA GLU A 28 52.278 3.893 -10.205 1.00 1.00 H new ATOM 0 HB2 GLU A 28 55.091 2.878 -10.797 1.00 1.00 H new ATOM 0 HB3 GLU A 28 53.672 1.852 -10.856 1.00 1.00 H new ATOM 0 HG2 GLU A 28 52.631 3.343 -12.557 1.00 1.00 H new ATOM 0 HG3 GLU A 28 53.998 4.436 -12.463 1.00 1.00 H new ATOM 269 N GLY A 29 53.492 3.939 -7.521 1.00 1.00 N ATOM 270 CA GLY A 29 53.591 3.434 -6.160 1.00 1.00 C ATOM 271 C GLY A 29 52.227 3.472 -5.496 1.00 1.00 C ATOM 272 O GLY A 29 52.032 2.897 -4.424 1.00 1.00 O ATOM 0 H GLY A 29 53.474 4.956 -7.594 1.00 1.00 H new ATOM 0 HA2 GLY A 29 53.973 2.413 -6.168 1.00 1.00 H new ATOM 0 HA3 GLY A 29 54.300 4.035 -5.590 1.00 1.00 H new ATOM 276 N HIS A 30 51.274 4.155 -6.137 1.00 1.00 N ATOM 277 CA HIS A 30 49.933 4.252 -5.581 1.00 1.00 C ATOM 278 C HIS A 30 49.155 2.948 -5.799 1.00 1.00 C ATOM 279 O HIS A 30 48.429 2.515 -4.905 1.00 1.00 O ATOM 280 CB HIS A 30 49.164 5.462 -6.170 1.00 1.00 C ATOM 281 CG HIS A 30 50.147 6.480 -6.682 1.00 1.00 C ATOM 282 ND1 HIS A 30 50.593 7.534 -5.898 1.00 1.00 N ATOM 283 CD2 HIS A 30 50.779 6.622 -7.893 1.00 1.00 C ATOM 284 CE1 HIS A 30 51.452 8.256 -6.639 1.00 1.00 C ATOM 285 NE2 HIS A 30 51.602 7.744 -7.863 1.00 1.00 N ATOM 0 H HIS A 30 51.407 4.639 -7.025 1.00 1.00 H new ATOM 0 HA HIS A 30 50.030 4.414 -4.507 1.00 1.00 H new ATOM 0 HB2 HIS A 30 48.511 5.133 -6.978 1.00 1.00 H new ATOM 0 HB3 HIS A 30 48.527 5.908 -5.407 1.00 1.00 H new ATOM 0 HD1 HIS A 30 50.319 7.726 -4.934 1.00 1.00 H new ATOM 0 HD2 HIS A 30 50.656 5.963 -8.740 1.00 1.00 H new ATOM 0 HE1 HIS A 30 51.959 9.142 -6.287 1.00 1.00 H new ATOM 293 N PRO A 31 49.284 2.295 -6.944 1.00 1.00 N ATOM 294 CA PRO A 31 48.562 1.018 -7.206 1.00 1.00 C ATOM 295 C PRO A 31 49.305 -0.158 -6.592 1.00 1.00 C ATOM 296 O PRO A 31 48.700 -1.137 -6.163 1.00 1.00 O ATOM 297 CB PRO A 31 48.536 0.898 -8.754 1.00 1.00 C ATOM 298 CG PRO A 31 49.269 2.112 -9.283 1.00 1.00 C ATOM 299 CD PRO A 31 50.110 2.647 -8.114 1.00 1.00 C ATOM 0 HA PRO A 31 47.563 1.011 -6.770 1.00 1.00 H new ATOM 0 HB2 PRO A 31 49.020 -0.022 -9.081 1.00 1.00 H new ATOM 0 HB3 PRO A 31 47.512 0.869 -9.125 1.00 1.00 H new ATOM 0 HG2 PRO A 31 49.903 1.846 -10.129 1.00 1.00 H new ATOM 0 HG3 PRO A 31 48.567 2.868 -9.636 1.00 1.00 H new ATOM 0 HD2 PRO A 31 51.093 2.179 -8.073 1.00 1.00 H new ATOM 0 HD3 PRO A 31 50.272 3.722 -8.188 1.00 1.00 H new ATOM 307 N PHE A 32 50.630 -0.038 -6.593 1.00 1.00 N ATOM 308 CA PHE A 32 51.511 -1.073 -6.074 1.00 1.00 C ATOM 309 C PHE A 32 51.163 -1.425 -4.629 1.00 1.00 C ATOM 310 O PHE A 32 51.950 -1.187 -3.713 1.00 1.00 O ATOM 311 CB PHE A 32 52.971 -0.586 -6.165 1.00 1.00 C ATOM 312 CG PHE A 32 53.917 -1.753 -6.364 1.00 1.00 C ATOM 313 CD1 PHE A 32 53.668 -2.987 -5.748 1.00 1.00 C ATOM 314 CD2 PHE A 32 55.054 -1.592 -7.161 1.00 1.00 C ATOM 315 CE1 PHE A 32 54.538 -4.045 -5.923 1.00 1.00 C ATOM 316 CE2 PHE A 32 55.935 -2.666 -7.342 1.00 1.00 C ATOM 317 CZ PHE A 32 55.679 -3.895 -6.721 1.00 1.00 C ATOM 0 H PHE A 32 51.120 0.780 -6.954 1.00 1.00 H new ATOM 0 HA PHE A 32 51.383 -1.974 -6.674 1.00 1.00 H new ATOM 0 HB2 PHE A 32 53.074 0.116 -6.992 1.00 1.00 H new ATOM 0 HB3 PHE A 32 53.237 -0.048 -5.255 1.00 1.00 H new ATOM 0 HD1 PHE A 32 52.790 -3.111 -5.132 1.00 1.00 H new ATOM 0 HD2 PHE A 32 55.253 -0.643 -7.636 1.00 1.00 H new ATOM 0 HE1 PHE A 32 54.338 -4.991 -5.443 1.00 1.00 H new ATOM 0 HE2 PHE A 32 56.812 -2.546 -7.961 1.00 1.00 H new ATOM 0 HZ PHE A 32 56.359 -4.723 -6.857 1.00 1.00 H new ATOM 327 N ARG A 33 50.008 -2.025 -4.428 1.00 1.00 N ATOM 328 CA ARG A 33 49.618 -2.433 -3.100 1.00 1.00 C ATOM 329 C ARG A 33 50.463 -3.600 -2.656 1.00 1.00 C ATOM 330 O ARG A 33 50.779 -3.742 -1.484 1.00 1.00 O ATOM 331 CB ARG A 33 48.140 -2.803 -3.053 1.00 1.00 C ATOM 332 CG ARG A 33 47.877 -4.050 -3.934 1.00 1.00 C ATOM 333 CD ARG A 33 46.384 -4.419 -3.861 1.00 1.00 C ATOM 334 NE ARG A 33 46.124 -5.617 -4.650 1.00 1.00 N ATOM 335 CZ ARG A 33 44.886 -5.960 -4.991 1.00 1.00 C ATOM 336 NH1 ARG A 33 43.878 -5.214 -4.629 1.00 1.00 N ATOM 337 NH2 ARG A 33 44.679 -7.043 -5.688 1.00 1.00 N ATOM 0 H ARG A 33 49.331 -2.238 -5.161 1.00 1.00 H new ATOM 0 HA ARG A 33 49.776 -1.595 -2.421 1.00 1.00 H new ATOM 0 HB2 ARG A 33 47.840 -3.004 -2.025 1.00 1.00 H new ATOM 0 HB3 ARG A 33 47.536 -1.966 -3.403 1.00 1.00 H new ATOM 0 HG2 ARG A 33 48.163 -3.847 -4.966 1.00 1.00 H new ATOM 0 HG3 ARG A 33 48.487 -4.886 -3.592 1.00 1.00 H new ATOM 0 HD2 ARG A 33 46.093 -4.587 -2.824 1.00 1.00 H new ATOM 0 HD3 ARG A 33 45.779 -3.592 -4.232 1.00 1.00 H new ATOM 0 HE ARG A 33 46.906 -6.202 -4.945 1.00 1.00 H new ATOM 0 HH11 ARG A 33 44.040 -4.367 -4.084 1.00 1.00 H new ATOM 0 HH12 ARG A 33 42.928 -5.478 -4.891 1.00 1.00 H new ATOM 0 HH21 ARG A 33 45.467 -7.626 -5.971 1.00 1.00 H new ATOM 0 HH22 ARG A 33 43.729 -7.307 -5.950 1.00 1.00 H new ATOM 351 N ALA A 34 50.816 -4.451 -3.603 1.00 1.00 N ATOM 352 CA ALA A 34 51.608 -5.613 -3.269 1.00 1.00 C ATOM 353 C ALA A 34 52.863 -5.181 -2.506 1.00 1.00 C ATOM 354 O ALA A 34 53.408 -5.936 -1.701 1.00 1.00 O ATOM 355 CB ALA A 34 51.969 -6.447 -4.518 1.00 1.00 C ATOM 0 H ALA A 34 50.571 -4.360 -4.589 1.00 1.00 H new ATOM 0 HA ALA A 34 51.009 -6.260 -2.628 1.00 1.00 H new ATOM 0 HB1 ALA A 34 52.564 -7.310 -4.220 1.00 1.00 H new ATOM 0 HB2 ALA A 34 51.055 -6.787 -5.005 1.00 1.00 H new ATOM 0 HB3 ALA A 34 52.543 -5.833 -5.212 1.00 1.00 H new ATOM 361 N TYR A 35 53.315 -3.958 -2.762 1.00 1.00 N ATOM 362 CA TYR A 35 54.509 -3.435 -2.089 1.00 1.00 C ATOM 363 C TYR A 35 54.327 -3.489 -0.565 1.00 1.00 C ATOM 364 O TYR A 35 55.302 -3.559 0.182 1.00 1.00 O ATOM 365 CB TYR A 35 54.780 -1.957 -2.527 1.00 1.00 C ATOM 366 CG TYR A 35 56.280 -1.702 -2.650 1.00 1.00 C ATOM 367 CD1 TYR A 35 57.048 -1.404 -1.504 1.00 1.00 C ATOM 368 CD2 TYR A 35 56.916 -1.764 -3.912 1.00 1.00 C ATOM 369 CE1 TYR A 35 58.424 -1.171 -1.621 1.00 1.00 C ATOM 370 CE2 TYR A 35 58.294 -1.529 -4.015 1.00 1.00 C ATOM 371 CZ TYR A 35 59.044 -1.235 -2.873 1.00 1.00 C ATOM 372 OH TYR A 35 60.400 -1.006 -2.981 1.00 1.00 O ATOM 0 H TYR A 35 52.882 -3.313 -3.422 1.00 1.00 H new ATOM 0 HA TYR A 35 55.360 -4.054 -2.373 1.00 1.00 H new ATOM 0 HB2 TYR A 35 54.292 -1.759 -3.481 1.00 1.00 H new ATOM 0 HB3 TYR A 35 54.347 -1.271 -1.799 1.00 1.00 H new ATOM 0 HD1 TYR A 35 56.574 -1.356 -0.535 1.00 1.00 H new ATOM 0 HD2 TYR A 35 56.340 -1.992 -4.796 1.00 1.00 H new ATOM 0 HE1 TYR A 35 59.008 -0.941 -0.742 1.00 1.00 H new ATOM 0 HE2 TYR A 35 58.778 -1.575 -4.980 1.00 1.00 H new ATOM 0 HH TYR A 35 60.672 -1.090 -3.919 1.00 1.00 H new ATOM 382 N LEU A 36 53.077 -3.442 -0.115 1.00 1.00 N ATOM 383 CA LEU A 36 52.778 -3.473 1.316 1.00 1.00 C ATOM 384 C LEU A 36 53.216 -4.797 1.946 1.00 1.00 C ATOM 385 O LEU A 36 53.699 -4.827 3.078 1.00 1.00 O ATOM 386 CB LEU A 36 51.276 -3.253 1.546 1.00 1.00 C ATOM 387 CG LEU A 36 50.957 -1.744 1.506 1.00 1.00 C ATOM 388 CD1 LEU A 36 51.567 -1.073 0.265 1.00 1.00 C ATOM 389 CD2 LEU A 36 49.449 -1.567 1.485 1.00 1.00 C ATOM 0 H LEU A 36 52.256 -3.382 -0.717 1.00 1.00 H new ATOM 0 HA LEU A 36 53.337 -2.669 1.795 1.00 1.00 H new ATOM 0 HB2 LEU A 36 50.701 -3.776 0.782 1.00 1.00 H new ATOM 0 HB3 LEU A 36 50.981 -3.671 2.508 1.00 1.00 H new ATOM 0 HG LEU A 36 51.389 -1.272 2.389 1.00 1.00 H new ATOM 0 HD11 LEU A 36 51.323 -0.011 0.269 1.00 1.00 H new ATOM 0 HD12 LEU A 36 52.650 -1.196 0.280 1.00 1.00 H new ATOM 0 HD13 LEU A 36 51.161 -1.535 -0.635 1.00 1.00 H new ATOM 0 HD21 LEU A 36 49.208 -0.504 1.457 1.00 1.00 H new ATOM 0 HD22 LEU A 36 49.037 -2.056 0.602 1.00 1.00 H new ATOM 0 HD23 LEU A 36 49.018 -2.013 2.381 1.00 1.00 H new ATOM 401 N GLU A 37 53.024 -5.890 1.224 1.00 1.00 N ATOM 402 CA GLU A 37 53.377 -7.198 1.734 1.00 1.00 C ATOM 403 C GLU A 37 54.835 -7.245 2.185 1.00 1.00 C ATOM 404 O GLU A 37 55.137 -7.642 3.309 1.00 1.00 O ATOM 405 CB GLU A 37 53.150 -8.233 0.620 1.00 1.00 C ATOM 406 CG GLU A 37 53.731 -9.606 1.000 1.00 1.00 C ATOM 407 CD GLU A 37 55.249 -9.625 0.808 1.00 1.00 C ATOM 408 OE1 GLU A 37 55.727 -8.890 -0.033 1.00 1.00 O ATOM 409 OE2 GLU A 37 55.910 -10.366 1.517 1.00 1.00 O ATOM 0 H GLU A 37 52.626 -5.894 0.285 1.00 1.00 H new ATOM 0 HA GLU A 37 52.753 -7.419 2.600 1.00 1.00 H new ATOM 0 HB2 GLU A 37 52.082 -8.330 0.424 1.00 1.00 H new ATOM 0 HB3 GLU A 37 53.613 -7.883 -0.303 1.00 1.00 H new ATOM 0 HG2 GLU A 37 53.488 -9.834 2.038 1.00 1.00 H new ATOM 0 HG3 GLU A 37 53.273 -10.382 0.387 1.00 1.00 H new ATOM 416 N SER A 38 55.731 -6.874 1.282 1.00 1.00 N ATOM 417 CA SER A 38 57.162 -6.912 1.562 1.00 1.00 C ATOM 418 C SER A 38 57.529 -6.028 2.750 1.00 1.00 C ATOM 419 O SER A 38 58.442 -6.346 3.505 1.00 1.00 O ATOM 420 CB SER A 38 57.935 -6.452 0.322 1.00 1.00 C ATOM 421 OG SER A 38 57.657 -5.078 0.084 1.00 1.00 O ATOM 0 H SER A 38 55.493 -6.542 0.347 1.00 1.00 H new ATOM 0 HA SER A 38 57.429 -7.938 1.814 1.00 1.00 H new ATOM 0 HB2 SER A 38 59.005 -6.599 0.470 1.00 1.00 H new ATOM 0 HB3 SER A 38 57.648 -7.049 -0.543 1.00 1.00 H new ATOM 0 HG SER A 38 56.687 -4.937 0.074 1.00 1.00 H new ATOM 427 N GLU A 39 56.818 -4.923 2.916 1.00 1.00 N ATOM 428 CA GLU A 39 57.097 -4.007 4.009 1.00 1.00 C ATOM 429 C GLU A 39 56.848 -4.679 5.347 1.00 1.00 C ATOM 430 O GLU A 39 57.249 -4.163 6.391 1.00 1.00 O ATOM 431 CB GLU A 39 56.210 -2.755 3.891 1.00 1.00 C ATOM 432 CG GLU A 39 56.663 -1.888 2.706 1.00 1.00 C ATOM 433 CD GLU A 39 58.077 -1.362 2.936 1.00 1.00 C ATOM 434 OE1 GLU A 39 58.499 -1.339 4.081 1.00 1.00 O ATOM 435 OE2 GLU A 39 58.719 -0.999 1.965 1.00 1.00 O ATOM 0 H GLU A 39 56.047 -4.641 2.310 1.00 1.00 H new ATOM 0 HA GLU A 39 58.146 -3.715 3.950 1.00 1.00 H new ATOM 0 HB2 GLU A 39 55.169 -3.050 3.757 1.00 1.00 H new ATOM 0 HB3 GLU A 39 56.261 -2.177 4.814 1.00 1.00 H new ATOM 0 HG2 GLU A 39 56.632 -2.473 1.787 1.00 1.00 H new ATOM 0 HG3 GLU A 39 55.975 -1.053 2.575 1.00 1.00 H new ATOM 442 N VAL A 40 56.159 -5.817 5.324 1.00 1.00 N ATOM 443 CA VAL A 40 55.845 -6.514 6.565 1.00 1.00 C ATOM 444 C VAL A 40 57.027 -7.335 7.087 1.00 1.00 C ATOM 445 O VAL A 40 57.415 -7.196 8.247 1.00 1.00 O ATOM 446 CB VAL A 40 54.614 -7.419 6.391 1.00 1.00 C ATOM 447 CG1 VAL A 40 54.385 -8.214 7.682 1.00 1.00 C ATOM 448 CG2 VAL A 40 53.368 -6.564 6.095 1.00 1.00 C ATOM 0 H VAL A 40 55.814 -6.268 4.477 1.00 1.00 H new ATOM 0 HA VAL A 40 55.623 -5.746 7.306 1.00 1.00 H new ATOM 0 HB VAL A 40 54.786 -8.101 5.559 1.00 1.00 H new ATOM 0 HG11 VAL A 40 53.513 -8.857 7.563 1.00 1.00 H new ATOM 0 HG12 VAL A 40 55.262 -8.826 7.893 1.00 1.00 H new ATOM 0 HG13 VAL A 40 54.217 -7.524 8.509 1.00 1.00 H new ATOM 0 HG21 VAL A 40 52.501 -7.214 5.973 1.00 1.00 H new ATOM 0 HG22 VAL A 40 53.193 -5.877 6.923 1.00 1.00 H new ATOM 0 HG23 VAL A 40 53.526 -5.995 5.179 1.00 1.00 H new ATOM 458 N ALA A 41 57.599 -8.193 6.244 1.00 1.00 N ATOM 459 CA ALA A 41 58.733 -9.013 6.681 1.00 1.00 C ATOM 460 C ALA A 41 59.989 -8.154 6.771 1.00 1.00 C ATOM 461 O ALA A 41 61.013 -8.571 7.314 1.00 1.00 O ATOM 462 CB ALA A 41 58.967 -10.190 5.714 1.00 1.00 C ATOM 0 H ALA A 41 57.307 -8.339 5.278 1.00 1.00 H new ATOM 0 HA ALA A 41 58.503 -9.421 7.665 1.00 1.00 H new ATOM 0 HB1 ALA A 41 59.814 -10.783 6.060 1.00 1.00 H new ATOM 0 HB2 ALA A 41 58.075 -10.816 5.680 1.00 1.00 H new ATOM 0 HB3 ALA A 41 59.178 -9.805 4.716 1.00 1.00 H new ATOM 468 N ILE A 42 59.887 -6.949 6.222 1.00 1.00 N ATOM 469 CA ILE A 42 60.993 -5.992 6.210 1.00 1.00 C ATOM 470 C ILE A 42 60.881 -5.015 7.372 1.00 1.00 C ATOM 471 O ILE A 42 61.887 -4.554 7.911 1.00 1.00 O ATOM 472 CB ILE A 42 60.944 -5.237 4.890 1.00 1.00 C ATOM 473 CG1 ILE A 42 61.289 -6.225 3.779 1.00 1.00 C ATOM 474 CG2 ILE A 42 61.925 -4.054 4.910 1.00 1.00 C ATOM 475 CD1 ILE A 42 61.141 -5.567 2.399 1.00 1.00 C ATOM 0 H ILE A 42 59.038 -6.606 5.773 1.00 1.00 H new ATOM 0 HA ILE A 42 61.939 -6.523 6.315 1.00 1.00 H new ATOM 0 HB ILE A 42 59.950 -4.823 4.721 1.00 1.00 H new ATOM 0 HG12 ILE A 42 62.310 -6.583 3.909 1.00 1.00 H new ATOM 0 HG13 ILE A 42 60.636 -7.095 3.844 1.00 1.00 H new ATOM 0 HG21 ILE A 42 61.877 -3.525 3.958 1.00 1.00 H new ATOM 0 HG22 ILE A 42 61.657 -3.373 5.718 1.00 1.00 H new ATOM 0 HG23 ILE A 42 62.938 -4.424 5.069 1.00 1.00 H new ATOM 0 HD11 ILE A 42 61.392 -6.290 1.623 1.00 1.00 H new ATOM 0 HD12 ILE A 42 60.113 -5.232 2.264 1.00 1.00 H new ATOM 0 HD13 ILE A 42 61.813 -4.712 2.330 1.00 1.00 H new ATOM 487 N SER A 43 59.640 -4.696 7.713 1.00 1.00 N ATOM 488 CA SER A 43 59.312 -3.759 8.793 1.00 1.00 C ATOM 489 C SER A 43 60.430 -3.617 9.836 1.00 1.00 C ATOM 490 O SER A 43 60.634 -2.533 10.383 1.00 1.00 O ATOM 491 CB SER A 43 58.035 -4.229 9.491 1.00 1.00 C ATOM 492 OG SER A 43 58.300 -5.446 10.176 1.00 1.00 O ATOM 0 H SER A 43 58.819 -5.082 7.246 1.00 1.00 H new ATOM 0 HA SER A 43 59.178 -2.779 8.335 1.00 1.00 H new ATOM 0 HB2 SER A 43 57.689 -3.470 10.193 1.00 1.00 H new ATOM 0 HB3 SER A 43 57.239 -4.374 8.761 1.00 1.00 H new ATOM 0 HG SER A 43 58.048 -6.203 9.607 1.00 1.00 H new ATOM 498 N GLU A 44 61.138 -4.705 10.122 1.00 1.00 N ATOM 499 CA GLU A 44 62.209 -4.670 11.112 1.00 1.00 C ATOM 500 C GLU A 44 63.280 -3.638 10.731 1.00 1.00 C ATOM 501 O GLU A 44 63.601 -2.754 11.523 1.00 1.00 O ATOM 502 CB GLU A 44 62.845 -6.063 11.228 1.00 1.00 C ATOM 503 CG GLU A 44 63.604 -6.176 12.550 1.00 1.00 C ATOM 504 CD GLU A 44 64.236 -7.558 12.674 1.00 1.00 C ATOM 505 OE1 GLU A 44 64.885 -7.978 11.730 1.00 1.00 O ATOM 506 OE2 GLU A 44 64.067 -8.173 13.713 1.00 1.00 O ATOM 0 H GLU A 44 60.991 -5.615 9.686 1.00 1.00 H new ATOM 0 HA GLU A 44 61.783 -4.378 12.072 1.00 1.00 H new ATOM 0 HB2 GLU A 44 62.073 -6.831 11.174 1.00 1.00 H new ATOM 0 HB3 GLU A 44 63.524 -6.234 10.392 1.00 1.00 H new ATOM 0 HG2 GLU A 44 64.376 -5.408 12.602 1.00 1.00 H new ATOM 0 HG3 GLU A 44 62.925 -6.002 13.384 1.00 1.00 H new ATOM 513 N GLU A 45 63.831 -3.751 9.517 1.00 1.00 N ATOM 514 CA GLU A 45 64.869 -2.814 9.051 1.00 1.00 C ATOM 515 C GLU A 45 64.706 -2.537 7.557 1.00 1.00 C ATOM 516 O GLU A 45 65.177 -3.305 6.719 1.00 1.00 O ATOM 517 CB GLU A 45 66.263 -3.399 9.310 1.00 1.00 C ATOM 518 CG GLU A 45 66.530 -3.462 10.818 1.00 1.00 C ATOM 519 CD GLU A 45 67.866 -4.149 11.083 1.00 1.00 C ATOM 520 OE1 GLU A 45 68.489 -4.579 10.127 1.00 1.00 O ATOM 521 OE2 GLU A 45 68.245 -4.236 12.239 1.00 1.00 O ATOM 0 H GLU A 45 63.581 -4.474 8.842 1.00 1.00 H new ATOM 0 HA GLU A 45 64.759 -1.880 9.602 1.00 1.00 H new ATOM 0 HB2 GLU A 45 66.334 -4.397 8.877 1.00 1.00 H new ATOM 0 HB3 GLU A 45 67.021 -2.785 8.823 1.00 1.00 H new ATOM 0 HG2 GLU A 45 66.540 -2.455 11.236 1.00 1.00 H new ATOM 0 HG3 GLU A 45 65.727 -4.006 11.315 1.00 1.00 H new ATOM 528 N LEU A 46 64.009 -1.448 7.229 1.00 1.00 N ATOM 529 CA LEU A 46 63.764 -1.100 5.827 1.00 1.00 C ATOM 530 C LEU A 46 65.024 -0.695 5.072 1.00 1.00 C ATOM 531 O LEU A 46 65.223 -1.134 3.946 1.00 1.00 O ATOM 532 CB LEU A 46 62.718 0.025 5.727 1.00 1.00 C ATOM 533 CG LEU A 46 62.511 0.435 4.256 1.00 1.00 C ATOM 534 CD1 LEU A 46 62.112 -0.787 3.413 1.00 1.00 C ATOM 535 CD2 LEU A 46 61.407 1.491 4.171 1.00 1.00 C ATOM 0 H LEU A 46 63.608 -0.798 7.905 1.00 1.00 H new ATOM 0 HA LEU A 46 63.388 -2.007 5.353 1.00 1.00 H new ATOM 0 HB2 LEU A 46 61.773 -0.309 6.155 1.00 1.00 H new ATOM 0 HB3 LEU A 46 63.044 0.887 6.309 1.00 1.00 H new ATOM 0 HG LEU A 46 63.445 0.844 3.869 1.00 1.00 H new ATOM 0 HD11 LEU A 46 61.969 -0.483 2.376 1.00 1.00 H new ATOM 0 HD12 LEU A 46 62.900 -1.538 3.465 1.00 1.00 H new ATOM 0 HD13 LEU A 46 61.184 -1.208 3.799 1.00 1.00 H new ATOM 0 HD21 LEU A 46 61.260 1.781 3.131 1.00 1.00 H new ATOM 0 HD22 LEU A 46 60.479 1.080 4.567 1.00 1.00 H new ATOM 0 HD23 LEU A 46 61.694 2.366 4.755 1.00 1.00 H new ATOM 547 N VAL A 47 65.843 0.174 5.656 1.00 1.00 N ATOM 548 CA VAL A 47 67.041 0.650 4.962 1.00 1.00 C ATOM 549 C VAL A 47 68.074 -0.464 4.749 1.00 1.00 C ATOM 550 O VAL A 47 68.745 -0.498 3.718 1.00 1.00 O ATOM 551 CB VAL A 47 67.687 1.803 5.732 1.00 1.00 C ATOM 552 CG1 VAL A 47 66.634 2.868 6.047 1.00 1.00 C ATOM 553 CG2 VAL A 47 68.274 1.271 7.037 1.00 1.00 C ATOM 0 H VAL A 47 65.706 0.559 6.591 1.00 1.00 H new ATOM 0 HA VAL A 47 66.717 0.998 3.981 1.00 1.00 H new ATOM 0 HB VAL A 47 68.477 2.245 5.125 1.00 1.00 H new ATOM 0 HG11 VAL A 47 67.098 3.688 6.596 1.00 1.00 H new ATOM 0 HG12 VAL A 47 66.211 3.248 5.117 1.00 1.00 H new ATOM 0 HG13 VAL A 47 65.842 2.428 6.653 1.00 1.00 H new ATOM 0 HG21 VAL A 47 68.735 2.090 7.589 1.00 1.00 H new ATOM 0 HG22 VAL A 47 67.480 0.829 7.640 1.00 1.00 H new ATOM 0 HG23 VAL A 47 69.026 0.514 6.816 1.00 1.00 H new ATOM 563 N GLN A 48 68.223 -1.353 5.728 1.00 1.00 N ATOM 564 CA GLN A 48 69.213 -2.428 5.607 1.00 1.00 C ATOM 565 C GLN A 48 68.879 -3.372 4.457 1.00 1.00 C ATOM 566 O GLN A 48 69.721 -3.634 3.600 1.00 1.00 O ATOM 567 CB GLN A 48 69.280 -3.233 6.909 1.00 1.00 C ATOM 568 CG GLN A 48 69.655 -2.316 8.080 1.00 1.00 C ATOM 569 CD GLN A 48 71.036 -1.706 7.861 1.00 1.00 C ATOM 570 OE1 GLN A 48 71.178 -0.732 7.122 1.00 1.00 O ATOM 571 NE2 GLN A 48 72.069 -2.223 8.468 1.00 1.00 N ATOM 0 H GLN A 48 67.687 -1.355 6.596 1.00 1.00 H new ATOM 0 HA GLN A 48 70.177 -1.962 5.405 1.00 1.00 H new ATOM 0 HB2 GLN A 48 68.317 -3.707 7.102 1.00 1.00 H new ATOM 0 HB3 GLN A 48 70.015 -4.032 6.814 1.00 1.00 H new ATOM 0 HG2 GLN A 48 68.913 -1.524 8.181 1.00 1.00 H new ATOM 0 HG3 GLN A 48 69.645 -2.883 9.011 1.00 1.00 H new ATOM 0 HE21 GLN A 48 71.950 -3.030 9.080 1.00 1.00 H new ATOM 0 HE22 GLN A 48 72.996 -1.820 8.330 1.00 1.00 H new ATOM 580 N LYS A 49 67.656 -3.890 4.447 1.00 1.00 N ATOM 581 CA LYS A 49 67.240 -4.815 3.398 1.00 1.00 C ATOM 582 C LYS A 49 67.212 -4.120 2.060 1.00 1.00 C ATOM 583 O LYS A 49 67.609 -4.676 1.036 1.00 1.00 O ATOM 584 CB LYS A 49 65.856 -5.380 3.733 1.00 1.00 C ATOM 585 CG LYS A 49 65.383 -6.415 2.681 1.00 1.00 C ATOM 586 CD LYS A 49 66.228 -7.699 2.783 1.00 1.00 C ATOM 587 CE LYS A 49 65.592 -8.849 1.955 1.00 1.00 C ATOM 588 NZ LYS A 49 64.650 -8.284 0.946 1.00 1.00 N ATOM 0 H LYS A 49 66.941 -3.688 5.146 1.00 1.00 H new ATOM 0 HA LYS A 49 67.958 -5.633 3.341 1.00 1.00 H new ATOM 0 HB2 LYS A 49 65.884 -5.849 4.716 1.00 1.00 H new ATOM 0 HB3 LYS A 49 65.135 -4.564 3.789 1.00 1.00 H new ATOM 0 HG2 LYS A 49 64.330 -6.650 2.839 1.00 1.00 H new ATOM 0 HG3 LYS A 49 65.469 -5.993 1.680 1.00 1.00 H new ATOM 0 HD2 LYS A 49 67.239 -7.503 2.424 1.00 1.00 H new ATOM 0 HD3 LYS A 49 66.313 -8.001 3.827 1.00 1.00 H new ATOM 0 HE2 LYS A 49 66.372 -9.424 1.456 1.00 1.00 H new ATOM 0 HE3 LYS A 49 65.063 -9.536 2.616 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 64.463 -8.994 0.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 63.757 -8.025 1.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 65.072 -7.438 0.512 1.00 1.00 H new ATOM 602 N TYR A 50 66.745 -2.902 2.087 1.00 1.00 N ATOM 603 CA TYR A 50 66.654 -2.093 0.898 1.00 1.00 C ATOM 604 C TYR A 50 68.030 -1.908 0.257 1.00 1.00 C ATOM 605 O TYR A 50 68.200 -2.123 -0.943 1.00 1.00 O ATOM 606 CB TYR A 50 66.071 -0.767 1.345 1.00 1.00 C ATOM 607 CG TYR A 50 66.242 0.303 0.298 1.00 1.00 C ATOM 608 CD1 TYR A 50 65.549 0.215 -0.913 1.00 1.00 C ATOM 609 CD2 TYR A 50 67.087 1.391 0.546 1.00 1.00 C ATOM 610 CE1 TYR A 50 65.708 1.210 -1.881 1.00 1.00 C ATOM 611 CE2 TYR A 50 67.250 2.386 -0.415 1.00 1.00 C ATOM 612 CZ TYR A 50 66.560 2.298 -1.634 1.00 1.00 C ATOM 613 OH TYR A 50 66.720 3.279 -2.593 1.00 1.00 O ATOM 0 H TYR A 50 66.416 -2.440 2.934 1.00 1.00 H new ATOM 0 HA TYR A 50 66.028 -2.563 0.139 1.00 1.00 H new ATOM 0 HB2 TYR A 50 65.011 -0.892 1.566 1.00 1.00 H new ATOM 0 HB3 TYR A 50 66.554 -0.451 2.269 1.00 1.00 H new ATOM 0 HD1 TYR A 50 64.891 -0.621 -1.100 1.00 1.00 H new ATOM 0 HD2 TYR A 50 67.615 1.459 1.486 1.00 1.00 H new ATOM 0 HE1 TYR A 50 65.176 1.142 -2.818 1.00 1.00 H new ATOM 0 HE2 TYR A 50 67.905 3.223 -0.223 1.00 1.00 H new ATOM 0 HH TYR A 50 67.342 3.960 -2.263 1.00 1.00 H new ATOM 623 N SER A 51 69.005 -1.519 1.065 1.00 1.00 N ATOM 624 CA SER A 51 70.363 -1.318 0.571 1.00 1.00 C ATOM 625 C SER A 51 71.012 -2.652 0.209 1.00 1.00 C ATOM 626 O SER A 51 71.760 -2.748 -0.764 1.00 1.00 O ATOM 627 CB SER A 51 71.208 -0.612 1.638 1.00 1.00 C ATOM 628 OG SER A 51 72.514 -0.381 1.126 1.00 1.00 O ATOM 0 H SER A 51 68.884 -1.336 2.061 1.00 1.00 H new ATOM 0 HA SER A 51 70.312 -0.699 -0.325 1.00 1.00 H new ATOM 0 HB2 SER A 51 70.743 0.333 1.920 1.00 1.00 H new ATOM 0 HB3 SER A 51 71.261 -1.223 2.539 1.00 1.00 H new ATOM 0 HG SER A 51 73.056 0.072 1.805 1.00 1.00 H new ATOM 634 N ASN A 52 70.753 -3.672 1.022 1.00 1.00 N ATOM 635 CA ASN A 52 71.352 -4.987 0.805 1.00 1.00 C ATOM 636 C ASN A 52 70.639 -5.800 -0.270 1.00 1.00 C ATOM 637 O ASN A 52 71.229 -6.107 -1.307 1.00 1.00 O ATOM 638 CB ASN A 52 71.336 -5.767 2.120 1.00 1.00 C ATOM 639 CG ASN A 52 72.356 -5.163 3.081 1.00 1.00 C ATOM 640 OD1 ASN A 52 73.248 -4.430 2.650 1.00 1.00 O ATOM 641 ND2 ASN A 52 72.286 -5.425 4.357 1.00 1.00 N ATOM 0 H ASN A 52 70.136 -3.615 1.833 1.00 1.00 H new ATOM 0 HA ASN A 52 72.372 -4.822 0.457 1.00 1.00 H new ATOM 0 HB2 ASN A 52 70.340 -5.735 2.562 1.00 1.00 H new ATOM 0 HB3 ASN A 52 71.570 -6.816 1.936 1.00 1.00 H new ATOM 0 HD21 ASN A 52 72.970 -5.023 4.998 1.00 1.00 H new ATOM 0 HD22 ASN A 52 71.548 -6.032 4.713 1.00 1.00 H new ATOM 648 N SER A 53 69.386 -6.178 -0.023 1.00 1.00 N ATOM 649 CA SER A 53 68.642 -6.988 -0.992 1.00 1.00 C ATOM 650 C SER A 53 67.767 -6.121 -1.870 1.00 1.00 C ATOM 651 O SER A 53 66.562 -6.324 -1.962 1.00 1.00 O ATOM 652 CB SER A 53 67.785 -8.015 -0.262 1.00 1.00 C ATOM 653 OG SER A 53 68.538 -8.538 0.823 1.00 1.00 O ATOM 0 H SER A 53 68.870 -5.942 0.824 1.00 1.00 H new ATOM 0 HA SER A 53 69.362 -7.502 -1.629 1.00 1.00 H new ATOM 0 HB2 SER A 53 66.867 -7.553 0.101 1.00 1.00 H new ATOM 0 HB3 SER A 53 67.492 -8.816 -0.941 1.00 1.00 H new ATOM 0 HG SER A 53 68.506 -9.517 0.802 1.00 1.00 H new ATOM 659 N ALA A 54 68.394 -5.168 -2.537 1.00 1.00 N ATOM 660 CA ALA A 54 67.674 -4.280 -3.425 1.00 1.00 C ATOM 661 C ALA A 54 66.871 -5.108 -4.417 1.00 1.00 C ATOM 662 O ALA A 54 65.872 -4.646 -4.969 1.00 1.00 O ATOM 663 CB ALA A 54 68.660 -3.391 -4.187 1.00 1.00 C ATOM 0 H ALA A 54 69.397 -4.992 -2.479 1.00 1.00 H new ATOM 0 HA ALA A 54 67.004 -3.650 -2.839 1.00 1.00 H new ATOM 0 HB1 ALA A 54 68.110 -2.726 -4.853 1.00 1.00 H new ATOM 0 HB2 ALA A 54 69.238 -2.798 -3.478 1.00 1.00 H new ATOM 0 HB3 ALA A 54 69.335 -4.015 -4.773 1.00 1.00 H new ATOM 669 N LEU A 55 67.335 -6.334 -4.645 1.00 1.00 N ATOM 670 CA LEU A 55 66.672 -7.240 -5.589 1.00 1.00 C ATOM 671 C LEU A 55 65.591 -8.065 -4.888 1.00 1.00 C ATOM 672 O LEU A 55 64.427 -8.040 -5.282 1.00 1.00 O ATOM 673 CB LEU A 55 67.720 -8.172 -6.226 1.00 1.00 C ATOM 674 CG LEU A 55 68.463 -7.436 -7.353 1.00 1.00 C ATOM 675 CD1 LEU A 55 69.246 -6.256 -6.770 1.00 1.00 C ATOM 676 CD2 LEU A 55 69.440 -8.391 -8.048 1.00 1.00 C ATOM 0 H LEU A 55 68.162 -6.725 -4.194 1.00 1.00 H new ATOM 0 HA LEU A 55 66.191 -6.645 -6.366 1.00 1.00 H new ATOM 0 HB2 LEU A 55 68.430 -8.506 -5.469 1.00 1.00 H new ATOM 0 HB3 LEU A 55 67.233 -9.063 -6.622 1.00 1.00 H new ATOM 0 HG LEU A 55 67.733 -7.073 -8.077 1.00 1.00 H new ATOM 0 HD11 LEU A 55 69.771 -5.737 -7.571 1.00 1.00 H new ATOM 0 HD12 LEU A 55 68.556 -5.567 -6.282 1.00 1.00 H new ATOM 0 HD13 LEU A 55 69.968 -6.623 -6.041 1.00 1.00 H new ATOM 0 HD21 LEU A 55 69.962 -7.861 -8.845 1.00 1.00 H new ATOM 0 HD22 LEU A 55 70.165 -8.761 -7.323 1.00 1.00 H new ATOM 0 HD23 LEU A 55 68.889 -9.231 -8.471 1.00 1.00 H new ATOM 688 N GLY A 56 65.987 -8.796 -3.850 1.00 1.00 N ATOM 689 CA GLY A 56 65.049 -9.636 -3.103 1.00 1.00 C ATOM 690 C GLY A 56 63.688 -8.964 -2.931 1.00 1.00 C ATOM 691 O GLY A 56 62.681 -9.635 -2.720 1.00 1.00 O ATOM 0 H GLY A 56 66.947 -8.826 -3.506 1.00 1.00 H new ATOM 0 HA2 GLY A 56 64.921 -10.586 -3.622 1.00 1.00 H new ATOM 0 HA3 GLY A 56 65.468 -9.863 -2.122 1.00 1.00 H new ATOM 695 N HIS A 57 63.661 -7.643 -3.017 1.00 1.00 N ATOM 696 CA HIS A 57 62.410 -6.901 -2.863 1.00 1.00 C ATOM 697 C HIS A 57 61.403 -7.283 -3.958 1.00 1.00 C ATOM 698 O HIS A 57 60.197 -7.299 -3.713 1.00 1.00 O ATOM 699 CB HIS A 57 62.695 -5.382 -2.939 1.00 1.00 C ATOM 700 CG HIS A 57 62.909 -4.800 -1.563 1.00 1.00 C ATOM 701 ND1 HIS A 57 63.905 -4.963 -0.632 1.00 1.00 N flip ATOM 702 CD2 HIS A 57 62.017 -3.895 -1.004 1.00 1.00 C flip ATOM 703 CE1 HIS A 57 63.641 -4.178 0.482 1.00 1.00 C flip ATOM 704 NE2 HIS A 57 62.493 -3.555 0.208 1.00 1.00 N flip ATOM 0 H HIS A 57 64.481 -7.063 -3.191 1.00 1.00 H new ATOM 0 HA HIS A 57 61.981 -7.153 -1.893 1.00 1.00 H new ATOM 0 HB2 HIS A 57 63.578 -5.205 -3.554 1.00 1.00 H new ATOM 0 HB3 HIS A 57 61.861 -4.876 -3.426 1.00 1.00 H new ATOM 0 HD1 HIS A 57 64.717 -5.570 -0.742 1.00 1.00 H new ATOM 0 HD2 HIS A 57 61.108 -3.531 -1.459 1.00 1.00 H new ATOM 0 HE1 HIS A 57 64.237 -4.090 1.378 1.00 1.00 H new ATOM 712 N VAL A 58 61.899 -7.532 -5.171 1.00 1.00 N ATOM 713 CA VAL A 58 61.016 -7.845 -6.292 1.00 1.00 C ATOM 714 C VAL A 58 60.339 -9.217 -6.174 1.00 1.00 C ATOM 715 O VAL A 58 59.113 -9.292 -6.184 1.00 1.00 O ATOM 716 CB VAL A 58 61.792 -7.737 -7.617 1.00 1.00 C ATOM 717 CG1 VAL A 58 62.705 -8.952 -7.806 1.00 1.00 C ATOM 718 CG2 VAL A 58 60.799 -7.651 -8.784 1.00 1.00 C ATOM 0 H VAL A 58 62.893 -7.523 -5.399 1.00 1.00 H new ATOM 0 HA VAL A 58 60.211 -7.110 -6.272 1.00 1.00 H new ATOM 0 HB VAL A 58 62.409 -6.839 -7.591 1.00 1.00 H new ATOM 0 HG11 VAL A 58 63.245 -8.858 -8.748 1.00 1.00 H new ATOM 0 HG12 VAL A 58 63.417 -9.003 -6.983 1.00 1.00 H new ATOM 0 HG13 VAL A 58 62.103 -9.861 -7.822 1.00 1.00 H new ATOM 0 HG21 VAL A 58 61.347 -7.574 -9.723 1.00 1.00 H new ATOM 0 HG22 VAL A 58 60.177 -8.546 -8.799 1.00 1.00 H new ATOM 0 HG23 VAL A 58 60.167 -6.772 -8.660 1.00 1.00 H new ATOM 728 N ASN A 59 61.107 -10.306 -6.087 1.00 1.00 N ATOM 729 CA ASN A 59 60.482 -11.624 -5.999 1.00 1.00 C ATOM 730 C ASN A 59 59.806 -11.848 -4.661 1.00 1.00 C ATOM 731 O ASN A 59 58.709 -12.404 -4.595 1.00 1.00 O ATOM 732 CB ASN A 59 61.476 -12.748 -6.235 1.00 1.00 C ATOM 733 CG ASN A 59 62.157 -12.575 -7.588 1.00 1.00 C ATOM 734 OD1 ASN A 59 63.381 -12.656 -7.683 1.00 1.00 O ATOM 735 ND2 ASN A 59 61.431 -12.346 -8.648 1.00 1.00 N ATOM 0 H ASN A 59 62.127 -10.304 -6.076 1.00 1.00 H new ATOM 0 HA ASN A 59 59.730 -11.641 -6.788 1.00 1.00 H new ATOM 0 HB2 ASN A 59 62.224 -12.754 -5.442 1.00 1.00 H new ATOM 0 HB3 ASN A 59 60.964 -13.710 -6.198 1.00 1.00 H new ATOM 0 HD21 ASN A 59 61.878 -12.234 -9.558 1.00 1.00 H new ATOM 0 HD22 ASN A 59 60.416 -12.279 -8.567 1.00 1.00 H new ATOM 742 N SER A 60 60.461 -11.424 -3.588 1.00 1.00 N ATOM 743 CA SER A 60 59.893 -11.610 -2.262 1.00 1.00 C ATOM 744 C SER A 60 58.467 -11.101 -2.261 1.00 1.00 C ATOM 745 O SER A 60 57.594 -11.656 -1.609 1.00 1.00 O ATOM 746 CB SER A 60 60.714 -10.856 -1.218 1.00 1.00 C ATOM 747 OG SER A 60 62.048 -11.348 -1.225 1.00 1.00 O ATOM 0 H SER A 60 61.368 -10.958 -3.608 1.00 1.00 H new ATOM 0 HA SER A 60 59.908 -12.670 -2.010 1.00 1.00 H new ATOM 0 HB2 SER A 60 60.707 -9.788 -1.435 1.00 1.00 H new ATOM 0 HB3 SER A 60 60.272 -10.983 -0.230 1.00 1.00 H new ATOM 0 HG SER A 60 62.626 -10.721 -1.708 1.00 1.00 H new ATOM 753 N THR A 61 58.241 -10.044 -3.016 1.00 1.00 N ATOM 754 CA THR A 61 56.918 -9.466 -3.113 1.00 1.00 C ATOM 755 C THR A 61 55.939 -10.436 -3.757 1.00 1.00 C ATOM 756 O THR A 61 54.800 -10.570 -3.307 1.00 1.00 O ATOM 757 CB THR A 61 56.974 -8.184 -3.942 1.00 1.00 C ATOM 758 OG1 THR A 61 57.836 -7.253 -3.303 1.00 1.00 O ATOM 759 CG2 THR A 61 55.573 -7.585 -4.047 1.00 1.00 C ATOM 0 H THR A 61 58.955 -9.570 -3.569 1.00 1.00 H new ATOM 0 HA THR A 61 56.573 -9.244 -2.103 1.00 1.00 H new ATOM 0 HB THR A 61 57.349 -8.409 -4.940 1.00 1.00 H new ATOM 0 HG1 THR A 61 58.712 -7.265 -3.741 1.00 1.00 H new ATOM 0 HG21 THR A 61 55.612 -6.670 -4.638 1.00 1.00 H new ATOM 0 HG22 THR A 61 54.907 -8.300 -4.529 1.00 1.00 H new ATOM 0 HG23 THR A 61 55.199 -7.356 -3.049 1.00 1.00 H new ATOM 767 N ILE A 62 56.370 -11.074 -4.835 1.00 1.00 N ATOM 768 CA ILE A 62 55.501 -11.993 -5.558 1.00 1.00 C ATOM 769 C ILE A 62 55.350 -13.326 -4.825 1.00 1.00 C ATOM 770 O ILE A 62 54.379 -14.050 -5.031 1.00 1.00 O ATOM 771 CB ILE A 62 56.029 -12.246 -6.970 1.00 1.00 C ATOM 772 CG1 ILE A 62 56.453 -10.907 -7.602 1.00 1.00 C ATOM 773 CG2 ILE A 62 54.919 -12.875 -7.824 1.00 1.00 C ATOM 774 CD1 ILE A 62 57.302 -11.158 -8.835 1.00 1.00 C ATOM 0 H ILE A 62 57.307 -10.975 -5.226 1.00 1.00 H new ATOM 0 HA ILE A 62 54.521 -11.520 -5.618 1.00 1.00 H new ATOM 0 HB ILE A 62 56.884 -12.920 -6.924 1.00 1.00 H new ATOM 0 HG12 ILE A 62 55.570 -10.327 -7.871 1.00 1.00 H new ATOM 0 HG13 ILE A 62 57.014 -10.316 -6.878 1.00 1.00 H new ATOM 0 HG21 ILE A 62 55.294 -13.056 -8.831 1.00 1.00 H new ATOM 0 HG22 ILE A 62 54.607 -13.819 -7.377 1.00 1.00 H new ATOM 0 HG23 ILE A 62 54.067 -12.197 -7.870 1.00 1.00 H new ATOM 0 HD11 ILE A 62 57.596 -10.205 -9.274 1.00 1.00 H new ATOM 0 HD12 ILE A 62 58.193 -11.719 -8.555 1.00 1.00 H new ATOM 0 HD13 ILE A 62 56.727 -11.730 -9.563 1.00 1.00 H new ATOM 786 N LYS A 63 56.326 -13.667 -3.999 1.00 1.00 N ATOM 787 CA LYS A 63 56.287 -14.941 -3.283 1.00 1.00 C ATOM 788 C LYS A 63 55.167 -14.990 -2.208 1.00 1.00 C ATOM 789 O LYS A 63 54.329 -15.891 -2.223 1.00 1.00 O ATOM 790 CB LYS A 63 57.676 -15.182 -2.617 1.00 1.00 C ATOM 791 CG LYS A 63 58.525 -16.145 -3.463 1.00 1.00 C ATOM 792 CD LYS A 63 58.879 -15.476 -4.791 1.00 1.00 C ATOM 793 CE LYS A 63 59.630 -16.465 -5.683 1.00 1.00 C ATOM 794 NZ LYS A 63 61.013 -16.660 -5.163 1.00 1.00 N ATOM 0 H LYS A 63 57.146 -13.092 -3.806 1.00 1.00 H new ATOM 0 HA LYS A 63 56.062 -15.726 -4.004 1.00 1.00 H new ATOM 0 HB2 LYS A 63 58.199 -14.233 -2.502 1.00 1.00 H new ATOM 0 HB3 LYS A 63 57.539 -15.593 -1.617 1.00 1.00 H new ATOM 0 HG2 LYS A 63 59.434 -16.414 -2.925 1.00 1.00 H new ATOM 0 HG3 LYS A 63 57.976 -17.069 -3.644 1.00 1.00 H new ATOM 0 HD2 LYS A 63 57.972 -15.137 -5.291 1.00 1.00 H new ATOM 0 HD3 LYS A 63 59.494 -14.594 -4.612 1.00 1.00 H new ATOM 0 HE2 LYS A 63 59.103 -17.419 -5.709 1.00 1.00 H new ATOM 0 HE3 LYS A 63 59.665 -16.092 -6.707 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 61.563 -17.224 -5.842 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 61.468 -15.734 -5.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 60.974 -17.159 -4.251 1.00 1.00 H new ATOM 808 N GLU A 64 55.215 -14.058 -1.251 1.00 1.00 N ATOM 809 CA GLU A 64 54.260 -14.025 -0.119 1.00 1.00 C ATOM 810 C GLU A 64 52.870 -13.458 -0.445 1.00 1.00 C ATOM 811 O GLU A 64 51.914 -13.745 0.276 1.00 1.00 O ATOM 812 CB GLU A 64 54.859 -13.225 1.055 1.00 1.00 C ATOM 813 CG GLU A 64 56.378 -13.328 1.016 1.00 1.00 C ATOM 814 CD GLU A 64 56.986 -12.764 2.295 1.00 1.00 C ATOM 815 OE1 GLU A 64 56.245 -12.200 3.085 1.00 1.00 O ATOM 816 OE2 GLU A 64 58.185 -12.906 2.468 1.00 1.00 O ATOM 0 H GLU A 64 55.907 -13.308 -1.231 1.00 1.00 H new ATOM 0 HA GLU A 64 54.105 -15.072 0.141 1.00 1.00 H new ATOM 0 HB2 GLU A 64 54.553 -12.181 0.991 1.00 1.00 H new ATOM 0 HB3 GLU A 64 54.482 -13.611 2.002 1.00 1.00 H new ATOM 0 HG2 GLU A 64 56.674 -14.370 0.894 1.00 1.00 H new ATOM 0 HG3 GLU A 64 56.763 -12.784 0.153 1.00 1.00 H new ATOM 823 N LEU A 65 52.761 -12.602 -1.451 1.00 1.00 N ATOM 824 CA LEU A 65 51.474 -11.962 -1.760 1.00 1.00 C ATOM 825 C LEU A 65 50.263 -12.890 -1.514 1.00 1.00 C ATOM 826 O LEU A 65 49.156 -12.410 -1.272 1.00 1.00 O ATOM 827 CB LEU A 65 51.462 -11.417 -3.205 1.00 1.00 C ATOM 828 CG LEU A 65 52.234 -12.331 -4.148 1.00 1.00 C ATOM 829 CD1 LEU A 65 51.805 -13.786 -3.972 1.00 1.00 C ATOM 830 CD2 LEU A 65 51.966 -11.883 -5.591 1.00 1.00 C ATOM 0 H LEU A 65 53.531 -12.332 -2.063 1.00 1.00 H new ATOM 0 HA LEU A 65 51.371 -11.127 -1.067 1.00 1.00 H new ATOM 0 HB2 LEU A 65 50.433 -11.320 -3.551 1.00 1.00 H new ATOM 0 HB3 LEU A 65 51.900 -10.419 -3.223 1.00 1.00 H new ATOM 0 HG LEU A 65 53.298 -12.264 -3.920 1.00 1.00 H new ATOM 0 HD11 LEU A 65 52.371 -14.418 -4.657 1.00 1.00 H new ATOM 0 HD12 LEU A 65 51.997 -14.100 -2.946 1.00 1.00 H new ATOM 0 HD13 LEU A 65 50.741 -13.880 -4.188 1.00 1.00 H new ATOM 0 HD21 LEU A 65 52.512 -12.528 -6.280 1.00 1.00 H new ATOM 0 HD22 LEU A 65 50.898 -11.950 -5.800 1.00 1.00 H new ATOM 0 HD23 LEU A 65 52.297 -10.852 -5.719 1.00 1.00 H new ATOM 842 N ARG A 66 50.473 -14.203 -1.564 1.00 1.00 N ATOM 843 CA ARG A 66 49.382 -15.151 -1.331 1.00 1.00 C ATOM 844 C ARG A 66 48.973 -15.139 0.145 1.00 1.00 C ATOM 845 O ARG A 66 47.855 -14.764 0.500 1.00 1.00 O ATOM 846 CB ARG A 66 49.819 -16.580 -1.746 1.00 1.00 C ATOM 847 CG ARG A 66 51.348 -16.722 -1.630 1.00 1.00 C ATOM 848 CD ARG A 66 51.733 -18.198 -1.493 1.00 1.00 C ATOM 849 NE ARG A 66 51.369 -18.932 -2.700 1.00 1.00 N ATOM 850 CZ ARG A 66 51.471 -20.256 -2.757 1.00 1.00 C ATOM 851 NH1 ARG A 66 51.901 -20.924 -1.722 1.00 1.00 N ATOM 852 NH2 ARG A 66 51.139 -20.888 -3.850 1.00 1.00 N ATOM 0 H ARG A 66 51.377 -14.633 -1.761 1.00 1.00 H new ATOM 0 HA ARG A 66 48.526 -14.851 -1.936 1.00 1.00 H new ATOM 0 HB2 ARG A 66 49.329 -17.317 -1.110 1.00 1.00 H new ATOM 0 HB3 ARG A 66 49.504 -16.782 -2.770 1.00 1.00 H new ATOM 0 HG2 ARG A 66 51.828 -16.294 -2.510 1.00 1.00 H new ATOM 0 HG3 ARG A 66 51.708 -16.163 -0.766 1.00 1.00 H new ATOM 0 HD2 ARG A 66 52.805 -18.286 -1.315 1.00 1.00 H new ATOM 0 HD3 ARG A 66 51.230 -18.633 -0.629 1.00 1.00 H new ATOM 0 HE ARG A 66 51.030 -18.420 -3.515 1.00 1.00 H new ATOM 0 HH11 ARG A 66 52.159 -20.430 -0.868 1.00 1.00 H new ATOM 0 HH12 ARG A 66 51.979 -21.940 -1.767 1.00 1.00 H new ATOM 0 HH21 ARG A 66 50.802 -20.366 -4.659 1.00 1.00 H new ATOM 0 HH22 ARG A 66 51.217 -21.904 -3.895 1.00 1.00 H new ATOM 866 N ARG A 67 49.898 -15.580 0.982 1.00 1.00 N ATOM 867 CA ARG A 67 49.692 -15.677 2.421 1.00 1.00 C ATOM 868 C ARG A 67 49.308 -14.348 3.063 1.00 1.00 C ATOM 869 O ARG A 67 48.691 -14.329 4.124 1.00 1.00 O ATOM 870 CB ARG A 67 50.994 -16.204 3.045 1.00 1.00 C ATOM 871 CG ARG A 67 51.942 -15.045 3.360 1.00 1.00 C ATOM 872 CD ARG A 67 53.351 -15.572 3.673 1.00 1.00 C ATOM 873 NE ARG A 67 53.943 -16.165 2.479 1.00 1.00 N ATOM 874 CZ ARG A 67 55.146 -16.729 2.516 1.00 1.00 C ATOM 875 NH1 ARG A 67 55.822 -16.754 3.631 1.00 1.00 N ATOM 876 NH2 ARG A 67 55.650 -17.257 1.435 1.00 1.00 N ATOM 0 H ARG A 67 50.823 -15.884 0.680 1.00 1.00 H new ATOM 0 HA ARG A 67 48.856 -16.352 2.603 1.00 1.00 H new ATOM 0 HB2 ARG A 67 50.770 -16.757 3.957 1.00 1.00 H new ATOM 0 HB3 ARG A 67 51.477 -16.901 2.360 1.00 1.00 H new ATOM 0 HG2 ARG A 67 51.983 -14.361 2.513 1.00 1.00 H new ATOM 0 HG3 ARG A 67 51.562 -14.478 4.210 1.00 1.00 H new ATOM 0 HD2 ARG A 67 53.980 -14.758 4.034 1.00 1.00 H new ATOM 0 HD3 ARG A 67 53.301 -16.314 4.470 1.00 1.00 H new ATOM 0 HE ARG A 67 53.425 -16.147 1.601 1.00 1.00 H new ATOM 0 HH11 ARG A 67 55.428 -16.340 4.476 1.00 1.00 H new ATOM 0 HH12 ARG A 67 56.745 -17.187 3.658 1.00 1.00 H new ATOM 0 HH21 ARG A 67 55.121 -17.237 0.563 1.00 1.00 H new ATOM 0 HH22 ARG A 67 56.573 -17.690 1.462 1.00 1.00 H new ATOM 890 N LEU A 68 49.719 -13.252 2.452 1.00 1.00 N ATOM 891 CA LEU A 68 49.456 -11.939 3.034 1.00 1.00 C ATOM 892 C LEU A 68 47.956 -11.725 3.204 1.00 1.00 C ATOM 893 O LEU A 68 47.508 -11.155 4.199 1.00 1.00 O ATOM 894 CB LEU A 68 50.056 -10.814 2.145 1.00 1.00 C ATOM 895 CG LEU A 68 50.487 -9.607 3.006 1.00 1.00 C ATOM 896 CD1 LEU A 68 49.297 -9.088 3.824 1.00 1.00 C ATOM 897 CD2 LEU A 68 51.647 -10.018 3.954 1.00 1.00 C ATOM 0 H LEU A 68 50.228 -13.238 1.568 1.00 1.00 H new ATOM 0 HA LEU A 68 49.932 -11.899 4.014 1.00 1.00 H new ATOM 0 HB2 LEU A 68 50.914 -11.198 1.594 1.00 1.00 H new ATOM 0 HB3 LEU A 68 49.320 -10.496 1.407 1.00 1.00 H new ATOM 0 HG LEU A 68 50.833 -8.811 2.347 1.00 1.00 H new ATOM 0 HD11 LEU A 68 49.614 -8.237 4.427 1.00 1.00 H new ATOM 0 HD12 LEU A 68 48.499 -8.778 3.149 1.00 1.00 H new ATOM 0 HD13 LEU A 68 48.932 -9.880 4.478 1.00 1.00 H new ATOM 0 HD21 LEU A 68 51.945 -9.161 4.558 1.00 1.00 H new ATOM 0 HD22 LEU A 68 51.314 -10.824 4.608 1.00 1.00 H new ATOM 0 HD23 LEU A 68 52.497 -10.358 3.363 1.00 1.00 H new ATOM 909 N PHE A 69 47.189 -12.177 2.229 1.00 1.00 N ATOM 910 CA PHE A 69 45.739 -12.011 2.286 1.00 1.00 C ATOM 911 C PHE A 69 45.126 -12.880 3.377 1.00 1.00 C ATOM 912 O PHE A 69 44.192 -12.455 4.059 1.00 1.00 O ATOM 913 CB PHE A 69 45.116 -12.329 0.919 1.00 1.00 C ATOM 914 CG PHE A 69 45.750 -11.464 -0.169 1.00 1.00 C ATOM 915 CD1 PHE A 69 46.161 -10.136 0.090 1.00 1.00 C ATOM 916 CD2 PHE A 69 45.934 -12.000 -1.451 1.00 1.00 C ATOM 917 CE1 PHE A 69 46.738 -9.367 -0.916 1.00 1.00 C ATOM 918 CE2 PHE A 69 46.512 -11.221 -2.467 1.00 1.00 C ATOM 919 CZ PHE A 69 46.916 -9.899 -2.197 1.00 1.00 C ATOM 0 H PHE A 69 47.534 -12.656 1.397 1.00 1.00 H new ATOM 0 HA PHE A 69 45.524 -10.972 2.535 1.00 1.00 H new ATOM 0 HB2 PHE A 69 45.259 -13.384 0.683 1.00 1.00 H new ATOM 0 HB3 PHE A 69 44.041 -12.153 0.952 1.00 1.00 H new ATOM 0 HD1 PHE A 69 46.026 -9.716 1.076 1.00 1.00 H new ATOM 0 HD2 PHE A 69 45.630 -13.015 -1.658 1.00 1.00 H new ATOM 0 HE1 PHE A 69 47.050 -8.354 -0.706 1.00 1.00 H new ATOM 0 HE2 PHE A 69 46.647 -11.636 -3.455 1.00 1.00 H new ATOM 0 HZ PHE A 69 47.362 -9.298 -2.976 1.00 1.00 H new ATOM 929 N LEU A 70 45.646 -14.088 3.550 1.00 1.00 N ATOM 930 CA LEU A 70 45.121 -14.982 4.575 1.00 1.00 C ATOM 931 C LEU A 70 45.314 -14.377 5.964 1.00 1.00 C ATOM 932 O LEU A 70 44.422 -14.453 6.810 1.00 1.00 O ATOM 933 CB LEU A 70 45.824 -16.342 4.503 1.00 1.00 C ATOM 934 CG LEU A 70 45.409 -17.089 3.223 1.00 1.00 C ATOM 935 CD1 LEU A 70 46.295 -18.329 3.052 1.00 1.00 C ATOM 936 CD2 LEU A 70 43.927 -17.519 3.303 1.00 1.00 C ATOM 0 H LEU A 70 46.419 -14.468 3.004 1.00 1.00 H new ATOM 0 HA LEU A 70 44.055 -15.120 4.395 1.00 1.00 H new ATOM 0 HB2 LEU A 70 46.905 -16.202 4.516 1.00 1.00 H new ATOM 0 HB3 LEU A 70 45.569 -16.938 5.379 1.00 1.00 H new ATOM 0 HG LEU A 70 45.533 -16.423 2.369 1.00 1.00 H new ATOM 0 HD11 LEU A 70 46.005 -18.862 2.146 1.00 1.00 H new ATOM 0 HD12 LEU A 70 47.338 -18.023 2.974 1.00 1.00 H new ATOM 0 HD13 LEU A 70 46.173 -18.985 3.914 1.00 1.00 H new ATOM 0 HD21 LEU A 70 43.651 -18.046 2.389 1.00 1.00 H new ATOM 0 HD22 LEU A 70 43.785 -18.179 4.159 1.00 1.00 H new ATOM 0 HD23 LEU A 70 43.298 -16.636 3.417 1.00 1.00 H new ATOM 948 N VAL A 71 46.484 -13.779 6.197 1.00 1.00 N ATOM 949 CA VAL A 71 46.783 -13.162 7.498 1.00 1.00 C ATOM 950 C VAL A 71 46.356 -11.692 7.526 1.00 1.00 C ATOM 951 O VAL A 71 46.285 -11.081 8.592 1.00 1.00 O ATOM 952 CB VAL A 71 48.285 -13.301 7.845 1.00 1.00 C ATOM 953 CG1 VAL A 71 49.177 -12.519 6.857 1.00 1.00 C ATOM 954 CG2 VAL A 71 48.520 -12.768 9.263 1.00 1.00 C ATOM 0 H VAL A 71 47.236 -13.707 5.511 1.00 1.00 H new ATOM 0 HA VAL A 71 46.207 -13.694 8.255 1.00 1.00 H new ATOM 0 HB VAL A 71 48.552 -14.356 7.777 1.00 1.00 H new ATOM 0 HG11 VAL A 71 50.224 -12.642 7.136 1.00 1.00 H new ATOM 0 HG12 VAL A 71 49.023 -12.900 5.848 1.00 1.00 H new ATOM 0 HG13 VAL A 71 48.915 -11.461 6.889 1.00 1.00 H new ATOM 0 HG21 VAL A 71 49.576 -12.862 9.517 1.00 1.00 H new ATOM 0 HG22 VAL A 71 48.227 -11.719 9.311 1.00 1.00 H new ATOM 0 HG23 VAL A 71 47.924 -13.344 9.971 1.00 1.00 H new ATOM 964 N ASP A 72 46.070 -11.132 6.352 1.00 1.00 N ATOM 965 CA ASP A 72 45.645 -9.735 6.261 1.00 1.00 C ATOM 966 C ASP A 72 46.540 -8.832 7.107 1.00 1.00 C ATOM 967 O ASP A 72 46.155 -8.399 8.194 1.00 1.00 O ATOM 968 CB ASP A 72 44.194 -9.602 6.733 1.00 1.00 C ATOM 969 CG ASP A 72 43.654 -8.220 6.386 1.00 1.00 C ATOM 970 OD1 ASP A 72 44.395 -7.443 5.807 1.00 1.00 O ATOM 971 OD2 ASP A 72 42.504 -7.961 6.701 1.00 1.00 O ATOM 0 H ASP A 72 46.124 -11.619 5.457 1.00 1.00 H new ATOM 0 HA ASP A 72 45.725 -9.423 5.220 1.00 1.00 H new ATOM 0 HB2 ASP A 72 43.579 -10.370 6.263 1.00 1.00 H new ATOM 0 HB3 ASP A 72 44.138 -9.763 7.810 1.00 1.00 H new ATOM 976 N ASP A 73 47.741 -8.552 6.598 1.00 1.00 N ATOM 977 CA ASP A 73 48.704 -7.695 7.302 1.00 1.00 C ATOM 978 C ASP A 73 49.033 -6.456 6.471 1.00 1.00 C ATOM 979 O ASP A 73 50.079 -5.836 6.658 1.00 1.00 O ATOM 980 CB ASP A 73 49.988 -8.482 7.581 1.00 1.00 C ATOM 981 CG ASP A 73 49.749 -9.495 8.695 1.00 1.00 C ATOM 982 OD1 ASP A 73 48.780 -9.336 9.420 1.00 1.00 O ATOM 983 OD2 ASP A 73 50.533 -10.424 8.803 1.00 1.00 O ATOM 0 H ASP A 73 48.073 -8.905 5.700 1.00 1.00 H new ATOM 0 HA ASP A 73 48.258 -7.374 8.244 1.00 1.00 H new ATOM 0 HB2 ASP A 73 50.313 -8.995 6.676 1.00 1.00 H new ATOM 0 HB3 ASP A 73 50.788 -7.799 7.865 1.00 1.00 H new ATOM 988 N LEU A 74 48.136 -6.105 5.554 1.00 1.00 N ATOM 989 CA LEU A 74 48.344 -4.939 4.701 1.00 1.00 C ATOM 990 C LEU A 74 48.399 -3.658 5.538 1.00 1.00 C ATOM 991 O LEU A 74 49.089 -2.706 5.176 1.00 1.00 O ATOM 992 CB LEU A 74 47.230 -4.865 3.627 1.00 1.00 C ATOM 993 CG LEU A 74 45.934 -4.226 4.196 1.00 1.00 C ATOM 994 CD1 LEU A 74 45.881 -2.725 3.857 1.00 1.00 C ATOM 995 CD2 LEU A 74 44.700 -4.914 3.586 1.00 1.00 C ATOM 0 H LEU A 74 47.265 -6.607 5.383 1.00 1.00 H new ATOM 0 HA LEU A 74 49.303 -5.038 4.193 1.00 1.00 H new ATOM 0 HB2 LEU A 74 47.581 -4.282 2.776 1.00 1.00 H new ATOM 0 HB3 LEU A 74 47.011 -5.867 3.258 1.00 1.00 H new ATOM 0 HG LEU A 74 45.936 -4.354 5.278 1.00 1.00 H new ATOM 0 HD11 LEU A 74 44.967 -2.292 4.263 1.00 1.00 H new ATOM 0 HD12 LEU A 74 46.745 -2.223 4.293 1.00 1.00 H new ATOM 0 HD13 LEU A 74 45.894 -2.596 2.775 1.00 1.00 H new ATOM 0 HD21 LEU A 74 43.794 -4.461 3.989 1.00 1.00 H new ATOM 0 HD22 LEU A 74 44.715 -4.794 2.503 1.00 1.00 H new ATOM 0 HD23 LEU A 74 44.716 -5.975 3.833 1.00 1.00 H new ATOM 1007 N VAL A 75 47.676 -3.637 6.657 1.00 1.00 N ATOM 1008 CA VAL A 75 47.668 -2.464 7.527 1.00 1.00 C ATOM 1009 C VAL A 75 49.013 -2.296 8.221 1.00 1.00 C ATOM 1010 O VAL A 75 49.555 -1.192 8.293 1.00 1.00 O ATOM 1011 CB VAL A 75 46.557 -2.595 8.572 1.00 1.00 C ATOM 1012 CG1 VAL A 75 46.631 -1.424 9.558 1.00 1.00 C ATOM 1013 CG2 VAL A 75 45.196 -2.585 7.874 1.00 1.00 C ATOM 0 H VAL A 75 47.094 -4.410 6.979 1.00 1.00 H new ATOM 0 HA VAL A 75 47.483 -1.583 6.913 1.00 1.00 H new ATOM 0 HB VAL A 75 46.684 -3.532 9.114 1.00 1.00 H new ATOM 0 HG11 VAL A 75 45.838 -1.522 10.300 1.00 1.00 H new ATOM 0 HG12 VAL A 75 47.599 -1.431 10.059 1.00 1.00 H new ATOM 0 HG13 VAL A 75 46.508 -0.485 9.018 1.00 1.00 H new ATOM 0 HG21 VAL A 75 44.405 -2.678 8.618 1.00 1.00 H new ATOM 0 HG22 VAL A 75 45.073 -1.649 7.329 1.00 1.00 H new ATOM 0 HG23 VAL A 75 45.139 -3.421 7.177 1.00 1.00 H new ATOM 1023 N ASP A 76 49.546 -3.401 8.728 1.00 1.00 N ATOM 1024 CA ASP A 76 50.827 -3.375 9.419 1.00 1.00 C ATOM 1025 C ASP A 76 51.952 -3.046 8.447 1.00 1.00 C ATOM 1026 O ASP A 76 53.094 -2.829 8.855 1.00 1.00 O ATOM 1027 CB ASP A 76 51.090 -4.731 10.073 1.00 1.00 C ATOM 1028 CG ASP A 76 50.176 -4.917 11.279 1.00 1.00 C ATOM 1029 OD1 ASP A 76 49.510 -3.962 11.645 1.00 1.00 O ATOM 1030 OD2 ASP A 76 50.157 -6.010 11.820 1.00 1.00 O ATOM 0 H ASP A 76 49.112 -4.323 8.674 1.00 1.00 H new ATOM 0 HA ASP A 76 50.792 -2.602 10.187 1.00 1.00 H new ATOM 0 HB2 ASP A 76 50.920 -5.530 9.352 1.00 1.00 H new ATOM 0 HB3 ASP A 76 52.133 -4.798 10.383 1.00 1.00 H new ATOM 1035 N SER A 77 51.624 -3.003 7.162 1.00 1.00 N ATOM 1036 CA SER A 77 52.617 -2.690 6.143 1.00 1.00 C ATOM 1037 C SER A 77 53.051 -1.231 6.241 1.00 1.00 C ATOM 1038 O SER A 77 53.655 -0.694 5.312 1.00 1.00 O ATOM 1039 CB SER A 77 52.050 -2.958 4.757 1.00 1.00 C ATOM 1040 OG SER A 77 51.498 -4.268 4.722 1.00 1.00 O ATOM 0 H SER A 77 50.686 -3.179 6.803 1.00 1.00 H new ATOM 0 HA SER A 77 53.485 -3.328 6.309 1.00 1.00 H new ATOM 0 HB2 SER A 77 51.284 -2.221 4.516 1.00 1.00 H new ATOM 0 HB3 SER A 77 52.834 -2.861 4.006 1.00 1.00 H new ATOM 0 HG SER A 77 52.061 -4.846 4.165 1.00 1.00 H new ATOM 1046 N LEU A 78 52.731 -0.604 7.370 1.00 1.00 N ATOM 1047 CA LEU A 78 53.078 0.787 7.607 1.00 1.00 C ATOM 1048 C LEU A 78 52.453 1.678 6.544 1.00 1.00 C ATOM 1049 O LEU A 78 53.123 2.522 5.947 1.00 1.00 O ATOM 1050 CB LEU A 78 54.598 0.940 7.604 1.00 1.00 C ATOM 1051 CG LEU A 78 55.219 0.098 8.750 1.00 1.00 C ATOM 1052 CD1 LEU A 78 56.582 -0.453 8.318 1.00 1.00 C ATOM 1053 CD2 LEU A 78 55.416 0.971 9.997 1.00 1.00 C ATOM 0 H LEU A 78 52.227 -1.046 8.139 1.00 1.00 H new ATOM 0 HA LEU A 78 52.690 1.092 8.579 1.00 1.00 H new ATOM 0 HB2 LEU A 78 55.002 0.617 6.645 1.00 1.00 H new ATOM 0 HB3 LEU A 78 54.866 1.989 7.726 1.00 1.00 H new ATOM 0 HG LEU A 78 54.542 -0.726 8.978 1.00 1.00 H new ATOM 0 HD11 LEU A 78 57.010 -1.042 9.129 1.00 1.00 H new ATOM 0 HD12 LEU A 78 56.457 -1.084 7.438 1.00 1.00 H new ATOM 0 HD13 LEU A 78 57.250 0.375 8.080 1.00 1.00 H new ATOM 0 HD21 LEU A 78 55.852 0.371 10.796 1.00 1.00 H new ATOM 0 HD22 LEU A 78 56.083 1.799 9.759 1.00 1.00 H new ATOM 0 HD23 LEU A 78 54.452 1.363 10.323 1.00 1.00 H new ATOM 1065 N LYS A 79 51.160 1.483 6.320 1.00 1.00 N ATOM 1066 CA LYS A 79 50.434 2.269 5.331 1.00 1.00 C ATOM 1067 C LYS A 79 51.229 2.367 4.032 1.00 1.00 C ATOM 1068 O LYS A 79 51.576 1.330 3.492 1.00 1.00 O ATOM 1069 CB LYS A 79 50.173 3.674 5.874 1.00 1.00 C ATOM 1070 CG LYS A 79 49.175 3.603 7.036 1.00 1.00 C ATOM 1071 CD LYS A 79 48.980 5.000 7.653 1.00 1.00 C ATOM 1072 CE LYS A 79 47.956 5.798 6.839 1.00 1.00 C ATOM 1073 NZ LYS A 79 46.666 5.050 6.790 1.00 1.00 N ATOM 1074 OXT LYS A 79 51.478 3.480 3.597 1.00 1.00 O ATOM 0 H LYS A 79 50.594 0.789 6.808 1.00 1.00 H new ATOM 0 HA LYS A 79 49.485 1.773 5.127 1.00 1.00 H new ATOM 0 HB2 LYS A 79 51.107 4.123 6.211 1.00 1.00 H new ATOM 0 HB3 LYS A 79 49.780 4.313 5.083 1.00 1.00 H new ATOM 0 HG2 LYS A 79 48.219 3.217 6.681 1.00 1.00 H new ATOM 0 HG3 LYS A 79 49.537 2.909 7.795 1.00 1.00 H new ATOM 0 HD2 LYS A 79 48.642 4.906 8.685 1.00 1.00 H new ATOM 0 HD3 LYS A 79 49.931 5.532 7.676 1.00 1.00 H new ATOM 0 HE2 LYS A 79 47.803 6.779 7.289 1.00 1.00 H new ATOM 0 HE3 LYS A 79 48.330 5.966 5.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 45.874 5.724 6.770 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 46.640 4.459 5.935 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 46.584 4.445 7.632 1.00 1.00 H new