USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 690 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 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 HIS : no HD1:sc= -10.4! C(o=-33!,f=-39!) USER MOD Set 2.2: A 40 ASN : amide:sc= -1.96! C(o=-33!,f=-37!) USER MOD Set 2.3: A 82 CYS SG : rot -15:sc= -0.879 USER MOD Set 2.4: A 83 THR OG1 : rot -50:sc= -6.48! USER MOD Set 2.5: A 85 HIS : no HE2:sc= -7.88! C(o=-33!,f=-33!) USER MOD Set 2.6: A 90 MET CE :methyl 147:sc= -5.37 (180deg=-8.42!) USER MOD Set 3.1: A 28 THR OG1 : rot -113:sc= 1.01 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc=-0.00684 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -128:sc= -2.51! (180deg=-4.09!) USER MOD Single : A 9 THR OG1 : rot -73:sc= -4.38! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 55:sc= 0.00625 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00106 USER MOD Single : A 24 SER OG : rot -60:sc= 0.00785 USER MOD Single : A 33 MET CE :methyl 154:sc= -2.89 (180deg=-4.18!) USER MOD Single : A 34 ASN : amide:sc= -6.7! C(o=-6.7!,f=-18!) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0978 (180deg=-0.43) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 57 ASN : amide:sc=-0.00766 X(o=-0.0077,f=-0.035) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 49:sc= 0.243 USER MOD Single : A 68 TYR OH : rot -140:sc= -2.34 USER MOD Single : A 69 SER OG : rot 160:sc= -2.08! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -10:sc= 1.19 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.3! USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -12.103 -8.632 -2.920 1.00 0.00 N ATOM 12 CA SER A 2 -11.547 -7.443 -3.543 1.00 0.00 C ATOM 13 C SER A 2 -11.532 -6.287 -2.542 1.00 0.00 C ATOM 14 O SER A 2 -12.585 -5.773 -2.164 1.00 0.00 O ATOM 15 CB SER A 2 -12.340 -7.053 -4.792 1.00 0.00 C ATOM 16 OG SER A 2 -12.013 -5.743 -5.246 1.00 0.00 O ATOM 0 HA SER A 2 -10.525 -7.664 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.141 -7.772 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.407 -7.105 -4.575 1.00 0.00 H new ATOM 0 HG SER A 2 -12.539 -5.533 -6.046 1.00 0.00 H new ATOM 22 N VAL A 3 -10.327 -5.909 -2.139 1.00 0.00 N ATOM 23 CA VAL A 3 -10.160 -4.823 -1.189 1.00 0.00 C ATOM 24 C VAL A 3 -9.415 -3.670 -1.865 1.00 0.00 C ATOM 25 O VAL A 3 -8.963 -3.799 -3.001 1.00 0.00 O ATOM 26 CB VAL A 3 -9.458 -5.333 0.071 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.475 -5.807 1.111 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.461 -6.442 -0.268 1.00 0.00 C ATOM 0 H VAL A 3 -9.456 -6.337 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.130 -4.441 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.900 -4.503 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.950 -6.165 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.128 -4.978 1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.073 -6.616 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.976 -6.787 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.987 -7.274 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.708 -6.057 -0.956 1.00 0.00 H new ATOM 38 N GLN A 4 -9.310 -2.568 -1.136 1.00 0.00 N ATOM 39 CA GLN A 4 -8.627 -1.393 -1.650 1.00 0.00 C ATOM 40 C GLN A 4 -7.871 -0.683 -0.526 1.00 0.00 C ATOM 41 O GLN A 4 -8.247 -0.788 0.641 1.00 0.00 O ATOM 42 CB GLN A 4 -9.611 -0.443 -2.335 1.00 0.00 C ATOM 43 CG GLN A 4 -10.926 -0.361 -1.556 1.00 0.00 C ATOM 44 CD GLN A 4 -12.007 0.344 -2.378 1.00 0.00 C ATOM 45 OE1 GLN A 4 -12.235 1.537 -2.258 1.00 0.00 O ATOM 46 NE2 GLN A 4 -12.657 -0.456 -3.217 1.00 0.00 N ATOM 0 H GLN A 4 -9.687 -2.464 -0.194 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.904 -1.716 -2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.168 0.550 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.807 -0.787 -3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.260 -1.365 -1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.766 0.177 -0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.416 -1.446 -3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.397 -0.080 -3.810 1.00 0.00 H new ATOM 55 N ILE A 5 -6.821 0.023 -0.915 1.00 0.00 N ATOM 56 CA ILE A 5 -6.008 0.750 0.045 1.00 0.00 C ATOM 57 C ILE A 5 -6.048 2.243 -0.285 1.00 0.00 C ATOM 58 O ILE A 5 -5.550 2.664 -1.329 1.00 0.00 O ATOM 59 CB ILE A 5 -4.594 0.169 0.100 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.555 -1.098 0.956 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.589 1.218 0.582 1.00 0.00 C ATOM 62 CD1 ILE A 5 -4.630 -0.757 2.446 1.00 0.00 C ATOM 0 H ILE A 5 -6.513 0.108 -1.884 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.413 0.635 1.050 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.302 -0.116 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.387 -1.749 0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.638 -1.651 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.592 0.779 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.592 2.066 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.867 1.556 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.600 -1.676 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.784 -0.126 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.559 -0.226 2.651 1.00 0.00 H new ATOM 74 N LYS A 6 -6.645 3.002 0.622 1.00 0.00 N ATOM 75 CA LYS A 6 -6.756 4.439 0.437 1.00 0.00 C ATOM 76 C LYS A 6 -5.591 5.131 1.149 1.00 0.00 C ATOM 77 O LYS A 6 -5.323 4.859 2.318 1.00 0.00 O ATOM 78 CB LYS A 6 -8.133 4.933 0.889 1.00 0.00 C ATOM 79 CG LYS A 6 -9.041 5.198 -0.313 1.00 0.00 C ATOM 80 CD LYS A 6 -10.408 5.717 0.137 1.00 0.00 C ATOM 81 CE LYS A 6 -11.098 6.491 -0.988 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.364 7.088 -0.506 1.00 0.00 N ATOM 0 H LYS A 6 -7.057 2.650 1.486 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.682 4.694 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.594 4.191 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.022 5.846 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.571 5.926 -0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.167 4.280 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.035 4.880 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.288 6.363 1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.437 7.275 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.300 5.824 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.819 7.610 -1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.000 6.334 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.164 7.740 0.279 1.00 0.00 H new ATOM 96 N MET A 7 -4.930 6.012 0.413 1.00 0.00 N ATOM 97 CA MET A 7 -3.800 6.745 0.959 1.00 0.00 C ATOM 98 C MET A 7 -4.213 8.157 1.379 1.00 0.00 C ATOM 99 O MET A 7 -4.350 9.044 0.536 1.00 0.00 O ATOM 100 CB MET A 7 -2.690 6.830 -0.091 1.00 0.00 C ATOM 101 CG MET A 7 -2.024 5.467 -0.294 1.00 0.00 C ATOM 102 SD MET A 7 -1.313 5.372 -1.929 1.00 0.00 S ATOM 103 CE MET A 7 -2.260 4.016 -2.601 1.00 0.00 C ATOM 0 H MET A 7 -5.155 6.235 -0.557 1.00 0.00 H new ATOM 0 HA MET A 7 -3.439 6.214 1.840 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.104 7.181 -1.036 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.944 7.561 0.221 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.249 5.316 0.458 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.757 4.671 -0.160 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.583 3.268 -3.012 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.862 3.566 -1.811 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.915 4.385 -3.390 1.00 0.00 H new ATOM 113 N GLY A 8 -4.402 8.322 2.679 1.00 0.00 N ATOM 114 CA GLY A 8 -4.796 9.612 3.221 1.00 0.00 C ATOM 115 C GLY A 8 -6.191 9.540 3.844 1.00 0.00 C ATOM 116 O GLY A 8 -7.053 8.805 3.364 1.00 0.00 O ATOM 0 H GLY A 8 -4.290 7.584 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.074 9.931 3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.785 10.362 2.430 1.00 0.00 H new ATOM 120 N THR A 9 -6.372 10.315 4.905 1.00 0.00 N ATOM 121 CA THR A 9 -7.647 10.349 5.599 1.00 0.00 C ATOM 122 C THR A 9 -8.345 11.691 5.368 1.00 0.00 C ATOM 123 O THR A 9 -7.698 12.679 5.023 1.00 0.00 O ATOM 124 CB THR A 9 -7.391 10.042 7.076 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.280 10.868 7.413 1.00 0.00 O ATOM 126 CG2 THR A 9 -6.877 8.618 7.297 1.00 0.00 C ATOM 0 H THR A 9 -5.655 10.924 5.300 1.00 0.00 H new ATOM 0 HA THR A 9 -8.329 9.593 5.210 1.00 0.00 H new ATOM 0 HB THR A 9 -8.311 10.188 7.643 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.465 10.500 7.011 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.712 8.452 8.362 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.614 7.904 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.939 8.482 6.759 1.00 0.00 H new ATOM 134 N ASP A 10 -9.654 11.684 5.570 1.00 0.00 N ATOM 135 CA ASP A 10 -10.446 12.889 5.390 1.00 0.00 C ATOM 136 C ASP A 10 -9.918 13.984 6.318 1.00 0.00 C ATOM 137 O ASP A 10 -10.217 15.163 6.128 1.00 0.00 O ATOM 138 CB ASP A 10 -11.914 12.641 5.738 1.00 0.00 C ATOM 139 CG ASP A 10 -12.890 13.698 5.217 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.505 14.887 5.240 1.00 0.00 O ATOM 141 OD2 ASP A 10 -14.000 13.293 4.807 1.00 0.00 O ATOM 0 H ASP A 10 -10.187 10.863 5.857 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.370 13.189 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.207 11.670 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.010 12.583 6.822 1.00 0.00 H new ATOM 146 N LYS A 11 -9.142 13.557 7.305 1.00 0.00 N ATOM 147 CA LYS A 11 -8.571 14.487 8.264 1.00 0.00 C ATOM 148 C LYS A 11 -7.210 14.965 7.756 1.00 0.00 C ATOM 149 O LYS A 11 -6.263 15.090 8.531 1.00 0.00 O ATOM 150 CB LYS A 11 -8.521 13.856 9.657 1.00 0.00 C ATOM 151 CG LYS A 11 -9.266 14.719 10.677 1.00 0.00 C ATOM 152 CD LYS A 11 -10.635 14.119 11.008 1.00 0.00 C ATOM 153 CE LYS A 11 -10.761 13.839 12.507 1.00 0.00 C ATOM 154 NZ LYS A 11 -11.668 12.693 12.745 1.00 0.00 N ATOM 0 H LYS A 11 -8.896 12.579 7.460 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.203 15.370 8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.964 12.860 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.483 13.734 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.673 14.805 11.588 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.393 15.727 10.282 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.422 14.805 10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.776 13.194 10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.778 13.626 12.927 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.141 14.724 13.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.743 12.516 13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.610 12.910 12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.289 11.847 12.274 1.00 0.00 H new ATOM 168 N TYR A 12 -7.154 15.217 6.456 1.00 0.00 N ATOM 169 CA TYR A 12 -5.924 15.676 5.835 1.00 0.00 C ATOM 170 C TYR A 12 -4.707 14.974 6.441 1.00 0.00 C ATOM 171 O TYR A 12 -3.616 15.541 6.485 1.00 0.00 O ATOM 172 CB TYR A 12 -5.834 17.174 6.136 1.00 0.00 C ATOM 173 CG TYR A 12 -5.996 18.067 4.904 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.905 18.347 4.106 1.00 0.00 C ATOM 175 CD2 TYR A 12 -7.233 18.592 4.591 1.00 0.00 C ATOM 176 CE1 TYR A 12 -5.058 19.187 2.946 1.00 0.00 C ATOM 177 CE2 TYR A 12 -7.386 19.433 3.431 1.00 0.00 C ATOM 178 CZ TYR A 12 -6.290 19.689 2.667 1.00 0.00 C ATOM 179 OH TYR A 12 -6.434 20.483 1.571 1.00 0.00 O ATOM 0 H TYR A 12 -7.941 15.112 5.816 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.932 15.462 4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.602 17.435 6.864 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.870 17.384 6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.937 17.936 4.351 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.086 18.373 5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.213 19.413 2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.348 19.850 3.174 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.368 20.769 1.495 1.00 0.00 H new ATOM 189 N ALA A 13 -4.936 13.749 6.892 1.00 0.00 N ATOM 190 CA ALA A 13 -3.871 12.963 7.493 1.00 0.00 C ATOM 191 C ALA A 13 -3.362 11.940 6.475 1.00 0.00 C ATOM 192 O ALA A 13 -4.099 11.043 6.071 1.00 0.00 O ATOM 193 CB ALA A 13 -4.385 12.305 8.775 1.00 0.00 C ATOM 0 H ALA A 13 -5.842 13.282 6.853 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.030 13.600 7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.587 11.715 9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.708 13.075 9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.227 11.655 8.538 1.00 0.00 H new ATOM 199 N PRO A 14 -2.071 12.113 6.083 1.00 0.00 N ATOM 200 CA PRO A 14 -1.455 11.216 5.121 1.00 0.00 C ATOM 201 C PRO A 14 -1.115 9.871 5.765 1.00 0.00 C ATOM 202 O PRO A 14 0.007 9.666 6.228 1.00 0.00 O ATOM 203 CB PRO A 14 -0.230 11.961 4.617 1.00 0.00 C ATOM 204 CG PRO A 14 0.054 13.042 5.648 1.00 0.00 C ATOM 205 CD PRO A 14 -1.169 13.165 6.542 1.00 0.00 C ATOM 0 HA PRO A 14 -2.119 10.965 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.621 11.288 4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.414 12.397 3.635 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.934 12.785 6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.265 13.992 5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.907 13.032 7.592 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.629 14.149 6.450 1.00 0.00 H new ATOM 213 N LEU A 15 -2.102 8.988 5.776 1.00 0.00 N ATOM 214 CA LEU A 15 -1.921 7.670 6.357 1.00 0.00 C ATOM 215 C LEU A 15 -2.569 6.623 5.447 1.00 0.00 C ATOM 216 O LEU A 15 -3.269 6.970 4.497 1.00 0.00 O ATOM 217 CB LEU A 15 -2.442 7.640 7.796 1.00 0.00 C ATOM 218 CG LEU A 15 -1.903 6.515 8.682 1.00 0.00 C ATOM 219 CD1 LEU A 15 -1.402 7.063 10.019 1.00 0.00 C ATOM 220 CD2 LEU A 15 -2.951 5.416 8.869 1.00 0.00 C ATOM 0 H LEU A 15 -3.031 9.160 5.391 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.861 7.426 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.203 8.593 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.529 7.563 7.766 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.048 6.063 8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.024 6.243 10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.602 7.781 9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.222 7.556 10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.543 4.628 9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.839 5.837 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.218 4.999 7.898 1.00 0.00 H new ATOM 232 N TYR A 16 -2.313 5.364 5.771 1.00 0.00 N ATOM 233 CA TYR A 16 -2.863 4.265 4.995 1.00 0.00 C ATOM 234 C TYR A 16 -4.167 3.757 5.612 1.00 0.00 C ATOM 235 O TYR A 16 -4.221 3.465 6.806 1.00 0.00 O ATOM 236 CB TYR A 16 -1.818 3.148 5.047 1.00 0.00 C ATOM 237 CG TYR A 16 -0.896 3.100 3.826 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.434 3.127 2.556 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.471 3.031 3.997 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.566 3.082 1.407 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.339 2.985 2.849 1.00 0.00 C ATOM 242 CZ TYR A 16 0.777 3.013 1.610 1.00 0.00 C ATOM 243 OH TYR A 16 1.596 2.970 0.526 1.00 0.00 O ATOM 0 H TYR A 16 -1.732 5.080 6.560 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.082 4.586 3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.211 3.274 5.943 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.330 2.190 5.141 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.504 3.182 2.423 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.890 3.011 4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.973 3.103 0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.411 2.930 2.969 1.00 0.00 H new ATOM 0 HH TYR A 16 1.410 3.737 -0.055 1.00 0.00 H new ATOM 253 N GLU A 17 -5.186 3.666 4.770 1.00 0.00 N ATOM 254 CA GLU A 17 -6.487 3.198 5.219 1.00 0.00 C ATOM 255 C GLU A 17 -7.072 2.210 4.207 1.00 0.00 C ATOM 256 O GLU A 17 -7.157 2.511 3.017 1.00 0.00 O ATOM 257 CB GLU A 17 -7.441 4.371 5.454 1.00 0.00 C ATOM 258 CG GLU A 17 -8.604 3.958 6.358 1.00 0.00 C ATOM 259 CD GLU A 17 -9.420 5.178 6.792 1.00 0.00 C ATOM 260 OE1 GLU A 17 -10.315 5.569 6.013 1.00 0.00 O ATOM 261 OE2 GLU A 17 -9.130 5.690 7.894 1.00 0.00 O ATOM 0 H GLU A 17 -5.138 3.908 3.780 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.358 2.682 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.899 5.200 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.827 4.728 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.248 3.254 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.220 3.441 7.237 1.00 0.00 H new ATOM 268 N PRO A 18 -7.473 1.021 4.731 1.00 0.00 N ATOM 269 CA PRO A 18 -7.338 0.745 6.151 1.00 0.00 C ATOM 270 C PRO A 18 -5.881 0.456 6.518 1.00 0.00 C ATOM 271 O PRO A 18 -5.083 0.087 5.659 1.00 0.00 O ATOM 272 CB PRO A 18 -8.262 -0.434 6.413 1.00 0.00 C ATOM 273 CG PRO A 18 -8.522 -1.067 5.057 1.00 0.00 C ATOM 274 CD PRO A 18 -8.062 -0.089 3.988 1.00 0.00 C ATOM 0 HA PRO A 18 -7.615 1.596 6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.801 -1.148 7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.193 -0.106 6.876 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.984 -2.011 4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.582 -1.292 4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.335 -0.548 3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.896 0.245 3.372 1.00 0.00 H new ATOM 282 N LYS A 19 -5.579 0.635 7.796 1.00 0.00 N ATOM 283 CA LYS A 19 -4.232 0.398 8.287 1.00 0.00 C ATOM 284 C LYS A 19 -3.868 -1.073 8.072 1.00 0.00 C ATOM 285 O LYS A 19 -2.736 -1.388 7.708 1.00 0.00 O ATOM 286 CB LYS A 19 -4.103 0.858 9.740 1.00 0.00 C ATOM 287 CG LYS A 19 -3.990 2.382 9.825 1.00 0.00 C ATOM 288 CD LYS A 19 -3.302 2.808 11.123 1.00 0.00 C ATOM 289 CE LYS A 19 -1.797 2.541 11.059 1.00 0.00 C ATOM 290 NZ LYS A 19 -1.233 2.426 12.423 1.00 0.00 N ATOM 0 H LYS A 19 -6.244 0.941 8.506 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.511 0.991 7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.969 0.522 10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.225 0.399 10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.427 2.757 8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.983 2.828 9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.480 3.868 11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.736 2.266 11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.608 1.623 10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.301 3.349 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.211 2.245 12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.397 3.312 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.694 1.640 12.924 1.00 0.00 H new ATOM 304 N ALA A 20 -4.847 -1.933 8.307 1.00 0.00 N ATOM 305 CA ALA A 20 -4.644 -3.362 8.145 1.00 0.00 C ATOM 306 C ALA A 20 -5.663 -3.908 7.142 1.00 0.00 C ATOM 307 O ALA A 20 -6.797 -3.432 7.084 1.00 0.00 O ATOM 308 CB ALA A 20 -4.739 -4.050 9.507 1.00 0.00 C ATOM 0 H ALA A 20 -5.784 -1.667 8.609 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.650 -3.565 7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.587 -5.122 9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.974 -3.648 10.172 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.724 -3.870 9.937 1.00 0.00 H new ATOM 314 N LEU A 21 -5.225 -4.898 6.379 1.00 0.00 N ATOM 315 CA LEU A 21 -6.085 -5.513 5.383 1.00 0.00 C ATOM 316 C LEU A 21 -5.823 -7.020 5.350 1.00 0.00 C ATOM 317 O LEU A 21 -4.680 -7.457 5.463 1.00 0.00 O ATOM 318 CB LEU A 21 -5.909 -4.828 4.027 1.00 0.00 C ATOM 319 CG LEU A 21 -6.369 -5.628 2.806 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.852 -5.983 2.910 1.00 0.00 C ATOM 321 CD2 LEU A 21 -6.045 -4.885 1.509 1.00 0.00 C ATOM 0 H LEU A 21 -4.285 -5.290 6.431 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.133 -5.377 5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.455 -3.885 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.854 -4.583 3.900 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.815 -6.567 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.153 -6.551 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.021 -6.583 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.442 -5.068 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.382 -5.476 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.553 -3.920 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.969 -4.729 1.438 1.00 0.00 H new ATOM 333 N SER A 22 -6.903 -7.772 5.195 1.00 0.00 N ATOM 334 CA SER A 22 -6.805 -9.221 5.146 1.00 0.00 C ATOM 335 C SER A 22 -7.548 -9.755 3.919 1.00 0.00 C ATOM 336 O SER A 22 -8.595 -9.228 3.546 1.00 0.00 O ATOM 337 CB SER A 22 -7.362 -9.854 6.422 1.00 0.00 C ATOM 338 OG SER A 22 -7.024 -11.235 6.524 1.00 0.00 O ATOM 0 H SER A 22 -7.850 -7.405 5.102 1.00 0.00 H new ATOM 0 HA SER A 22 -5.752 -9.490 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.975 -9.321 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.446 -9.744 6.438 1.00 0.00 H new ATOM 0 HG SER A 22 -7.396 -11.603 7.353 1.00 0.00 H new ATOM 344 N ILE A 23 -6.978 -10.793 3.327 1.00 0.00 N ATOM 345 CA ILE A 23 -7.575 -11.404 2.151 1.00 0.00 C ATOM 346 C ILE A 23 -7.157 -12.874 2.079 1.00 0.00 C ATOM 347 O ILE A 23 -6.499 -13.383 2.985 1.00 0.00 O ATOM 348 CB ILE A 23 -7.224 -10.603 0.895 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.732 -10.715 0.572 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.674 -9.147 1.032 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.463 -10.381 -0.896 1.00 0.00 C ATOM 0 H ILE A 23 -6.109 -11.227 3.639 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.663 -11.384 2.221 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.768 -11.031 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.166 -10.039 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.384 -11.725 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.413 -8.599 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.753 -9.112 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.176 -8.691 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.396 -10.468 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.012 -11.075 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.790 -9.362 -1.103 1.00 0.00 H new ATOM 363 N SER A 24 -7.558 -13.517 0.991 1.00 0.00 N ATOM 364 CA SER A 24 -7.235 -14.919 0.789 1.00 0.00 C ATOM 365 C SER A 24 -6.414 -15.087 -0.492 1.00 0.00 C ATOM 366 O SER A 24 -6.402 -14.202 -1.346 1.00 0.00 O ATOM 367 CB SER A 24 -8.502 -15.773 0.722 1.00 0.00 C ATOM 368 OG SER A 24 -9.359 -15.546 1.838 1.00 0.00 O ATOM 0 H SER A 24 -8.103 -13.092 0.241 1.00 0.00 H new ATOM 0 HA SER A 24 -6.645 -15.260 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.040 -15.551 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.227 -16.827 0.685 1.00 0.00 H new ATOM 0 HG SER A 24 -8.883 -15.767 2.666 1.00 0.00 H new ATOM 374 N ALA A 25 -5.746 -16.228 -0.583 1.00 0.00 N ATOM 375 CA ALA A 25 -4.925 -16.522 -1.744 1.00 0.00 C ATOM 376 C ALA A 25 -5.799 -16.509 -3.000 1.00 0.00 C ATOM 377 O ALA A 25 -6.577 -17.434 -3.228 1.00 0.00 O ATOM 378 CB ALA A 25 -4.217 -17.864 -1.541 1.00 0.00 C ATOM 0 H ALA A 25 -5.757 -16.959 0.128 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.155 -15.761 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.600 -18.086 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.586 -17.812 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.960 -18.651 -1.412 1.00 0.00 H new ATOM 384 N GLY A 26 -5.642 -15.450 -3.780 1.00 0.00 N ATOM 385 CA GLY A 26 -6.408 -15.304 -5.006 1.00 0.00 C ATOM 386 C GLY A 26 -7.184 -13.985 -5.014 1.00 0.00 C ATOM 387 O GLY A 26 -7.770 -13.612 -6.029 1.00 0.00 O ATOM 0 H GLY A 26 -4.996 -14.685 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.737 -15.341 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.102 -16.139 -5.107 1.00 0.00 H new ATOM 391 N ASP A 27 -7.162 -13.316 -3.871 1.00 0.00 N ATOM 392 CA ASP A 27 -7.856 -12.046 -3.733 1.00 0.00 C ATOM 393 C ASP A 27 -7.001 -10.934 -4.345 1.00 0.00 C ATOM 394 O ASP A 27 -5.872 -11.175 -4.770 1.00 0.00 O ATOM 395 CB ASP A 27 -8.093 -11.704 -2.261 1.00 0.00 C ATOM 396 CG ASP A 27 -9.300 -12.395 -1.624 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.648 -13.493 -2.109 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.849 -11.808 -0.667 1.00 0.00 O ATOM 0 H ASP A 27 -6.675 -13.629 -3.031 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.816 -12.129 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.201 -11.968 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.221 -10.625 -2.170 1.00 0.00 H new ATOM 403 N THR A 28 -7.573 -9.739 -4.369 1.00 0.00 N ATOM 404 CA THR A 28 -6.877 -8.589 -4.922 1.00 0.00 C ATOM 405 C THR A 28 -6.902 -7.424 -3.930 1.00 0.00 C ATOM 406 O THR A 28 -7.763 -7.367 -3.054 1.00 0.00 O ATOM 407 CB THR A 28 -7.517 -8.252 -6.270 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.493 -9.485 -6.983 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.648 -7.316 -7.113 1.00 0.00 C ATOM 0 H THR A 28 -8.509 -9.542 -4.015 1.00 0.00 H new ATOM 0 HA THR A 28 -5.823 -8.809 -5.092 1.00 0.00 H new ATOM 0 HB THR A 28 -8.491 -7.792 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.878 -9.412 -7.742 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.148 -7.109 -8.059 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.490 -6.382 -6.574 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.686 -7.790 -7.308 1.00 0.00 H new ATOM 417 N VAL A 29 -5.946 -6.522 -4.101 1.00 0.00 N ATOM 418 CA VAL A 29 -5.847 -5.362 -3.231 1.00 0.00 C ATOM 419 C VAL A 29 -5.567 -4.119 -4.078 1.00 0.00 C ATOM 420 O VAL A 29 -4.475 -3.966 -4.622 1.00 0.00 O ATOM 421 CB VAL A 29 -4.786 -5.604 -2.156 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.689 -4.410 -1.203 1.00 0.00 C ATOM 423 CG2 VAL A 29 -5.067 -6.897 -1.388 1.00 0.00 C ATOM 0 H VAL A 29 -5.233 -6.571 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.788 -5.194 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.823 -5.714 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.928 -4.608 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.419 -3.516 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.651 -4.255 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.298 -7.045 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.043 -6.829 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.061 -7.739 -2.080 1.00 0.00 H new ATOM 433 N GLU A 30 -6.575 -3.261 -4.163 1.00 0.00 N ATOM 434 CA GLU A 30 -6.452 -2.036 -4.933 1.00 0.00 C ATOM 435 C GLU A 30 -5.848 -0.925 -4.072 1.00 0.00 C ATOM 436 O GLU A 30 -5.712 -1.080 -2.859 1.00 0.00 O ATOM 437 CB GLU A 30 -7.805 -1.611 -5.506 1.00 0.00 C ATOM 438 CG GLU A 30 -7.624 -0.648 -6.681 1.00 0.00 C ATOM 439 CD GLU A 30 -7.929 0.792 -6.261 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.047 1.010 -5.747 1.00 0.00 O ATOM 441 OE2 GLU A 30 -7.036 1.643 -6.466 1.00 0.00 O ATOM 0 H GLU A 30 -7.480 -3.391 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.781 -2.223 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.358 -2.491 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.400 -1.133 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.602 -0.713 -7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.282 -0.939 -7.499 1.00 0.00 H new ATOM 448 N PHE A 31 -5.500 0.169 -4.732 1.00 0.00 N ATOM 449 CA PHE A 31 -4.913 1.305 -4.042 1.00 0.00 C ATOM 450 C PHE A 31 -5.314 2.621 -4.713 1.00 0.00 C ATOM 451 O PHE A 31 -5.033 2.832 -5.892 1.00 0.00 O ATOM 452 CB PHE A 31 -3.394 1.145 -4.128 1.00 0.00 C ATOM 453 CG PHE A 31 -2.826 0.083 -3.183 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.998 -1.237 -3.462 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.150 0.459 -2.066 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.472 -2.222 -2.585 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.622 -0.526 -1.189 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.795 -1.846 -1.467 1.00 0.00 C ATOM 0 H PHE A 31 -5.613 0.293 -5.738 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.261 1.333 -3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.123 0.888 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.925 2.103 -3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.535 -1.536 -4.350 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.014 1.507 -1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.610 -3.270 -2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.083 -0.227 -0.302 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.395 -2.595 -0.800 1.00 0.00 H new ATOM 468 N VAL A 32 -5.963 3.472 -3.932 1.00 0.00 N ATOM 469 CA VAL A 32 -6.404 4.762 -4.435 1.00 0.00 C ATOM 470 C VAL A 32 -5.837 5.872 -3.549 1.00 0.00 C ATOM 471 O VAL A 32 -5.517 5.639 -2.384 1.00 0.00 O ATOM 472 CB VAL A 32 -7.931 4.792 -4.528 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.564 4.852 -3.137 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.405 5.959 -5.397 1.00 0.00 C ATOM 0 H VAL A 32 -6.194 3.294 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.026 4.928 -5.444 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.256 3.867 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.650 4.872 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.266 3.974 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.228 5.752 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.494 5.957 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.063 6.898 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.996 5.854 -6.402 1.00 0.00 H new ATOM 484 N MET A 33 -5.731 7.056 -4.134 1.00 0.00 N ATOM 485 CA MET A 33 -5.209 8.204 -3.411 1.00 0.00 C ATOM 486 C MET A 33 -6.343 9.056 -2.841 1.00 0.00 C ATOM 487 O MET A 33 -7.226 9.495 -3.578 1.00 0.00 O ATOM 488 CB MET A 33 -4.353 9.054 -4.353 1.00 0.00 C ATOM 489 CG MET A 33 -3.254 9.788 -3.583 1.00 0.00 C ATOM 490 SD MET A 33 -3.174 11.492 -4.110 1.00 0.00 S ATOM 491 CE MET A 33 -4.720 12.094 -3.451 1.00 0.00 C ATOM 0 H MET A 33 -5.998 7.245 -5.100 1.00 0.00 H new ATOM 0 HA MET A 33 -4.602 7.842 -2.581 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.904 8.418 -5.116 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.984 9.777 -4.871 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.453 9.739 -2.513 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.293 9.301 -3.751 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.645 13.166 -3.269 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.520 11.903 -4.167 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.941 11.581 -2.515 1.00 0.00 H new ATOM 501 N ASN A 34 -6.285 9.265 -1.534 1.00 0.00 N ATOM 502 CA ASN A 34 -7.297 10.057 -0.856 1.00 0.00 C ATOM 503 C ASN A 34 -6.912 11.537 -0.927 1.00 0.00 C ATOM 504 O ASN A 34 -7.638 12.344 -1.505 1.00 0.00 O ATOM 505 CB ASN A 34 -7.406 9.667 0.619 1.00 0.00 C ATOM 506 CG ASN A 34 -8.634 8.789 0.865 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.908 7.844 0.144 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.358 9.154 1.919 1.00 0.00 N ATOM 0 H ASN A 34 -5.552 8.899 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.253 9.875 -1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.506 9.134 0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.468 10.566 1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.199 8.632 2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.072 9.956 2.481 1.00 0.00 H new ATOM 515 N LYS A 35 -5.770 11.847 -0.330 1.00 0.00 N ATOM 516 CA LYS A 35 -5.280 13.214 -0.318 1.00 0.00 C ATOM 517 C LYS A 35 -3.838 13.231 0.192 1.00 0.00 C ATOM 518 O LYS A 35 -3.228 12.178 0.370 1.00 0.00 O ATOM 519 CB LYS A 35 -6.226 14.116 0.479 1.00 0.00 C ATOM 520 CG LYS A 35 -6.486 13.540 1.873 1.00 0.00 C ATOM 521 CD LYS A 35 -7.986 13.471 2.166 1.00 0.00 C ATOM 522 CE LYS A 35 -8.477 14.762 2.822 1.00 0.00 C ATOM 523 NZ LYS A 35 -8.435 15.883 1.856 1.00 0.00 N ATOM 0 H LYS A 35 -5.171 11.175 0.149 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.265 13.622 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.795 15.113 0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.169 14.223 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.051 12.543 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.993 14.158 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.533 13.299 1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.194 12.625 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.495 14.627 3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.856 14.996 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.983 16.684 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.448 16.177 1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.844 15.576 0.950 1.00 0.00 H new ATOM 537 N VAL A 36 -3.336 14.437 0.415 1.00 0.00 N ATOM 538 CA VAL A 36 -1.977 14.604 0.902 1.00 0.00 C ATOM 539 C VAL A 36 -1.033 13.725 0.078 1.00 0.00 C ATOM 540 O VAL A 36 -0.385 12.830 0.618 1.00 0.00 O ATOM 541 CB VAL A 36 -1.919 14.304 2.400 1.00 0.00 C ATOM 542 CG1 VAL A 36 -0.676 14.931 3.037 1.00 0.00 C ATOM 543 CG2 VAL A 36 -3.193 14.774 3.105 1.00 0.00 C ATOM 0 H VAL A 36 -3.846 15.308 0.267 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.650 15.636 0.778 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.849 13.223 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.659 14.703 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.219 14.526 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.702 16.012 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.124 14.548 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.308 15.849 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.055 14.260 2.680 1.00 0.00 H new ATOM 553 N GLY A 37 -0.988 14.011 -1.214 1.00 0.00 N ATOM 554 CA GLY A 37 -0.133 13.258 -2.117 1.00 0.00 C ATOM 555 C GLY A 37 1.168 14.013 -2.399 1.00 0.00 C ATOM 556 O GLY A 37 1.433 15.049 -1.791 1.00 0.00 O ATOM 0 H GLY A 37 -1.529 14.753 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.094 12.285 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.660 13.073 -3.053 1.00 0.00 H new ATOM 560 N PRO A 38 1.965 13.450 -3.346 1.00 0.00 N ATOM 561 CA PRO A 38 1.576 12.222 -4.018 1.00 0.00 C ATOM 562 C PRO A 38 1.756 11.012 -3.098 1.00 0.00 C ATOM 563 O PRO A 38 1.987 11.168 -1.900 1.00 0.00 O ATOM 564 CB PRO A 38 2.452 12.159 -5.259 1.00 0.00 C ATOM 565 CG PRO A 38 3.614 13.103 -4.998 1.00 0.00 C ATOM 566 CD PRO A 38 3.254 13.965 -3.799 1.00 0.00 C ATOM 0 HA PRO A 38 0.520 12.207 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.806 11.143 -5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.895 12.461 -6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.527 12.540 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.804 13.725 -5.872 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.008 13.889 -3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.185 15.017 -4.074 1.00 0.00 H new ATOM 574 N HIS A 39 1.641 9.834 -3.693 1.00 0.00 N ATOM 575 CA HIS A 39 1.789 8.598 -2.942 1.00 0.00 C ATOM 576 C HIS A 39 2.483 7.549 -3.811 1.00 0.00 C ATOM 577 O HIS A 39 2.988 7.865 -4.888 1.00 0.00 O ATOM 578 CB HIS A 39 0.436 8.124 -2.407 1.00 0.00 C ATOM 579 CG HIS A 39 -0.214 9.087 -1.441 1.00 0.00 C ATOM 580 ND1 HIS A 39 -0.131 8.941 -0.068 1.00 0.00 N ATOM 581 CD2 HIS A 39 -0.958 10.208 -1.666 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.798 9.935 0.500 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.310 10.718 -0.492 1.00 0.00 N ATOM 0 H HIS A 39 1.447 9.709 -4.687 1.00 0.00 H new ATOM 0 HA HIS A 39 2.420 8.771 -2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.238 7.958 -3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.569 7.163 -1.911 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.216 10.612 -2.634 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.915 10.097 1.561 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.872 11.558 -0.354 1.00 0.00 H new ATOM 591 N ASN A 40 2.487 6.322 -3.312 1.00 0.00 N ATOM 592 CA ASN A 40 3.112 5.224 -4.029 1.00 0.00 C ATOM 593 C ASN A 40 2.975 3.940 -3.208 1.00 0.00 C ATOM 594 O ASN A 40 2.693 3.991 -2.012 1.00 0.00 O ATOM 595 CB ASN A 40 4.603 5.487 -4.250 1.00 0.00 C ATOM 596 CG ASN A 40 5.203 6.260 -3.074 1.00 0.00 C ATOM 597 OD1 ASN A 40 4.612 6.385 -2.014 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.406 6.771 -3.321 1.00 0.00 N ATOM 0 H ASN A 40 2.067 6.064 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 40 2.616 5.127 -4.995 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.129 4.540 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.744 6.052 -5.171 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.891 7.306 -2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.844 6.628 -4.231 1.00 0.00 H new ATOM 605 N VAL A 41 3.182 2.818 -3.883 1.00 0.00 N ATOM 606 CA VAL A 41 3.085 1.524 -3.230 1.00 0.00 C ATOM 607 C VAL A 41 4.484 0.921 -3.094 1.00 0.00 C ATOM 608 O VAL A 41 4.909 0.131 -3.936 1.00 0.00 O ATOM 609 CB VAL A 41 2.117 0.622 -3.997 1.00 0.00 C ATOM 610 CG1 VAL A 41 1.874 -0.687 -3.244 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.799 1.346 -4.280 1.00 0.00 C ATOM 0 H VAL A 41 3.416 2.779 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 41 2.679 1.633 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 41 2.576 0.377 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.182 -1.310 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.819 -1.216 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.447 -0.470 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.129 0.682 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.334 1.636 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.994 2.236 -4.878 1.00 0.00 H new ATOM 621 N ILE A 42 5.163 1.315 -2.026 1.00 0.00 N ATOM 622 CA ILE A 42 6.507 0.823 -1.769 1.00 0.00 C ATOM 623 C ILE A 42 6.474 -0.135 -0.577 1.00 0.00 C ATOM 624 O ILE A 42 6.611 0.289 0.569 1.00 0.00 O ATOM 625 CB ILE A 42 7.480 1.990 -1.594 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.677 2.743 -2.911 1.00 0.00 C ATOM 627 CG2 ILE A 42 8.807 1.513 -1.003 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.778 3.797 -2.781 1.00 0.00 C ATOM 0 H ILE A 42 4.808 1.969 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 42 6.876 0.257 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 42 7.045 2.693 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.935 2.038 -3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.743 3.222 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.481 2.362 -0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.629 1.058 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.259 0.778 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.897 4.317 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.506 4.514 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.716 3.312 -2.513 1.00 0.00 H new ATOM 640 N PHE A 43 6.293 -1.410 -0.889 1.00 0.00 N ATOM 641 CA PHE A 43 6.242 -2.433 0.143 1.00 0.00 C ATOM 642 C PHE A 43 7.512 -2.416 0.995 1.00 0.00 C ATOM 643 O PHE A 43 8.524 -1.842 0.596 1.00 0.00 O ATOM 644 CB PHE A 43 6.137 -3.783 -0.570 1.00 0.00 C ATOM 645 CG PHE A 43 4.850 -3.961 -1.378 1.00 0.00 C ATOM 646 CD1 PHE A 43 3.721 -4.413 -0.768 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.835 -3.669 -2.706 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.527 -4.579 -1.518 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.640 -3.835 -3.456 1.00 0.00 C ATOM 650 CZ PHE A 43 2.512 -4.287 -2.846 1.00 0.00 C ATOM 0 H PHE A 43 6.180 -1.758 -1.841 1.00 0.00 H new ATOM 0 HA PHE A 43 5.393 -2.254 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.991 -3.898 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.202 -4.580 0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.733 -4.645 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.731 -3.311 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.631 -4.937 -1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.627 -3.602 -4.511 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.604 -4.414 -3.416 1.00 0.00 H new ATOM 660 N ASP A 44 7.418 -3.053 2.152 1.00 0.00 N ATOM 661 CA ASP A 44 8.546 -3.119 3.065 1.00 0.00 C ATOM 662 C ASP A 44 9.330 -4.408 2.807 1.00 0.00 C ATOM 663 O ASP A 44 10.550 -4.377 2.651 1.00 0.00 O ATOM 664 CB ASP A 44 8.078 -3.134 4.522 1.00 0.00 C ATOM 665 CG ASP A 44 8.991 -2.395 5.501 1.00 0.00 C ATOM 666 OD1 ASP A 44 9.939 -1.743 5.013 1.00 0.00 O ATOM 667 OD2 ASP A 44 8.721 -2.499 6.718 1.00 0.00 O ATOM 0 H ASP A 44 6.577 -3.529 2.479 1.00 0.00 H new ATOM 0 HA ASP A 44 9.168 -2.240 2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.083 -2.693 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.984 -4.170 4.847 1.00 0.00 H new ATOM 672 N LYS A 45 8.597 -5.512 2.770 1.00 0.00 N ATOM 673 CA LYS A 45 9.208 -6.809 2.534 1.00 0.00 C ATOM 674 C LYS A 45 8.191 -7.910 2.844 1.00 0.00 C ATOM 675 O LYS A 45 7.354 -7.756 3.731 1.00 0.00 O ATOM 676 CB LYS A 45 10.513 -6.937 3.322 1.00 0.00 C ATOM 677 CG LYS A 45 11.720 -6.971 2.382 1.00 0.00 C ATOM 678 CD LYS A 45 12.959 -7.511 3.100 1.00 0.00 C ATOM 679 CE LYS A 45 13.669 -8.565 2.250 1.00 0.00 C ATOM 680 NZ LYS A 45 14.788 -9.172 3.005 1.00 0.00 N ATOM 0 H LYS A 45 7.586 -5.534 2.900 1.00 0.00 H new ATOM 0 HA LYS A 45 9.484 -6.916 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.609 -6.099 4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.491 -7.845 3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.495 -7.596 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.921 -5.968 2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.644 -6.691 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.669 -7.945 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.961 -9.339 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.045 -8.109 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.259 -9.886 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.471 -8.433 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.421 -9.625 3.866 1.00 0.00 H new ATOM 694 N VAL A 46 8.299 -8.997 2.093 1.00 0.00 N ATOM 695 CA VAL A 46 7.399 -10.123 2.276 1.00 0.00 C ATOM 696 C VAL A 46 8.220 -11.404 2.435 1.00 0.00 C ATOM 697 O VAL A 46 9.375 -11.463 2.015 1.00 0.00 O ATOM 698 CB VAL A 46 6.404 -10.191 1.116 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.674 -8.858 0.942 1.00 0.00 C ATOM 700 CG2 VAL A 46 7.100 -10.609 -0.180 1.00 0.00 C ATOM 0 H VAL A 46 8.995 -9.121 1.358 1.00 0.00 H new ATOM 0 HA VAL A 46 6.810 -9.999 3.185 1.00 0.00 H new ATOM 0 HB VAL A 46 5.661 -10.951 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.973 -8.933 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.130 -8.619 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.399 -8.071 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.370 -10.649 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.875 -9.884 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.552 -11.592 -0.050 1.00 0.00 H new ATOM 710 N PRO A 47 7.575 -12.427 3.058 1.00 0.00 N ATOM 711 CA PRO A 47 8.232 -13.705 3.277 1.00 0.00 C ATOM 712 C PRO A 47 8.320 -14.505 1.977 1.00 0.00 C ATOM 713 O PRO A 47 7.606 -14.221 1.018 1.00 0.00 O ATOM 714 CB PRO A 47 7.402 -14.395 4.346 1.00 0.00 C ATOM 715 CG PRO A 47 6.057 -13.688 4.352 1.00 0.00 C ATOM 716 CD PRO A 47 6.207 -12.395 3.568 1.00 0.00 C ATOM 0 HA PRO A 47 9.266 -13.597 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.284 -15.456 4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.884 -14.324 5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.291 -14.320 3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.739 -13.480 5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.483 -12.338 2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.042 -11.525 4.204 1.00 0.00 H new ATOM 756 N SER A 51 7.169 -11.370 -4.206 1.00 0.00 N ATOM 757 CA SER A 51 8.313 -10.522 -4.494 1.00 0.00 C ATOM 758 C SER A 51 8.019 -9.084 -4.065 1.00 0.00 C ATOM 759 O SER A 51 7.728 -8.230 -4.901 1.00 0.00 O ATOM 760 CB SER A 51 8.675 -10.570 -5.980 1.00 0.00 C ATOM 761 OG SER A 51 10.074 -10.740 -6.184 1.00 0.00 O ATOM 0 HA SER A 51 9.167 -10.896 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.137 -11.389 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.348 -9.649 -6.463 1.00 0.00 H new ATOM 0 HG SER A 51 10.263 -10.767 -7.145 1.00 0.00 H new ATOM 767 N ALA A 52 8.104 -8.859 -2.762 1.00 0.00 N ATOM 768 CA ALA A 52 7.850 -7.537 -2.213 1.00 0.00 C ATOM 769 C ALA A 52 8.763 -6.520 -2.901 1.00 0.00 C ATOM 770 O ALA A 52 8.292 -5.506 -3.412 1.00 0.00 O ATOM 771 CB ALA A 52 8.051 -7.569 -0.696 1.00 0.00 C ATOM 0 H ALA A 52 8.345 -9.569 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 52 6.820 -7.234 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.861 -6.578 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.360 -8.286 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.075 -7.866 -0.471 1.00 0.00 H new ATOM 777 N PRO A 53 10.086 -6.835 -2.890 1.00 0.00 N ATOM 778 CA PRO A 53 11.069 -5.960 -3.507 1.00 0.00 C ATOM 779 C PRO A 53 11.019 -6.068 -5.033 1.00 0.00 C ATOM 780 O PRO A 53 12.046 -6.272 -5.677 1.00 0.00 O ATOM 781 CB PRO A 53 12.403 -6.394 -2.924 1.00 0.00 C ATOM 782 CG PRO A 53 12.179 -7.789 -2.363 1.00 0.00 C ATOM 783 CD PRO A 53 10.679 -8.029 -2.294 1.00 0.00 C ATOM 0 HA PRO A 53 10.883 -4.906 -3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.180 -6.401 -3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.730 -5.707 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.656 -8.536 -2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.626 -7.878 -1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.396 -8.928 -2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.346 -8.165 -1.265 1.00 0.00 H new ATOM 791 N ALA A 54 9.814 -5.927 -5.564 1.00 0.00 N ATOM 792 CA ALA A 54 9.617 -6.006 -7.002 1.00 0.00 C ATOM 793 C ALA A 54 8.318 -5.288 -7.375 1.00 0.00 C ATOM 794 O ALA A 54 8.285 -4.513 -8.330 1.00 0.00 O ATOM 795 CB ALA A 54 9.619 -7.473 -7.437 1.00 0.00 C ATOM 0 H ALA A 54 8.964 -5.759 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 54 10.431 -5.508 -7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.471 -7.533 -8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.574 -7.929 -7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.813 -8.004 -6.930 1.00 0.00 H new ATOM 801 N LEU A 55 7.280 -5.572 -6.602 1.00 0.00 N ATOM 802 CA LEU A 55 5.982 -4.963 -6.840 1.00 0.00 C ATOM 803 C LEU A 55 6.053 -3.473 -6.502 1.00 0.00 C ATOM 804 O LEU A 55 5.355 -2.661 -7.108 1.00 0.00 O ATOM 805 CB LEU A 55 4.891 -5.715 -6.076 1.00 0.00 C ATOM 806 CG LEU A 55 4.299 -6.937 -6.781 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.477 -7.786 -5.809 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.485 -6.522 -8.008 1.00 0.00 C ATOM 0 H LEU A 55 7.311 -6.215 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 55 5.712 -5.039 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.301 -6.036 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.081 -5.018 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 55 5.122 -7.558 -7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.068 -8.648 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.116 -8.128 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.661 -7.188 -5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.076 -7.410 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.669 -5.868 -7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.129 -5.992 -8.710 1.00 0.00 H new ATOM 820 N SER A 56 6.904 -3.157 -5.536 1.00 0.00 N ATOM 821 CA SER A 56 7.075 -1.778 -5.111 1.00 0.00 C ATOM 822 C SER A 56 7.162 -0.861 -6.333 1.00 0.00 C ATOM 823 O SER A 56 7.942 -1.114 -7.251 1.00 0.00 O ATOM 824 CB SER A 56 8.324 -1.622 -4.240 1.00 0.00 C ATOM 825 OG SER A 56 8.507 -2.732 -3.366 1.00 0.00 O ATOM 0 H SER A 56 7.482 -3.832 -5.036 1.00 0.00 H new ATOM 0 HA SER A 56 6.209 -1.494 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.201 -1.515 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.244 -0.707 -3.653 1.00 0.00 H new ATOM 0 HG SER A 56 9.315 -2.595 -2.829 1.00 0.00 H new ATOM 831 N ASN A 57 6.351 0.187 -6.305 1.00 0.00 N ATOM 832 CA ASN A 57 6.327 1.142 -7.399 1.00 0.00 C ATOM 833 C ASN A 57 6.507 2.556 -6.840 1.00 0.00 C ATOM 834 O ASN A 57 5.528 3.252 -6.574 1.00 0.00 O ATOM 835 CB ASN A 57 4.989 1.096 -8.141 1.00 0.00 C ATOM 836 CG ASN A 57 5.144 0.426 -9.509 1.00 0.00 C ATOM 837 OD1 ASN A 57 5.744 -0.627 -9.649 1.00 0.00 O ATOM 838 ND2 ASN A 57 4.573 1.096 -10.507 1.00 0.00 N ATOM 0 H ASN A 57 5.706 0.395 -5.542 1.00 0.00 H new ATOM 0 HA ASN A 57 7.132 0.885 -8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.257 0.550 -7.545 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.605 2.108 -8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.622 0.733 -11.459 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.086 1.972 -10.320 1.00 0.00 H new ATOM 845 N THR A 58 7.765 2.937 -6.677 1.00 0.00 N ATOM 846 CA THR A 58 8.087 4.253 -6.155 1.00 0.00 C ATOM 847 C THR A 58 7.472 5.342 -7.036 1.00 0.00 C ATOM 848 O THR A 58 7.366 6.496 -6.622 1.00 0.00 O ATOM 849 CB THR A 58 9.608 4.356 -6.034 1.00 0.00 C ATOM 850 OG1 THR A 58 9.824 5.630 -5.434 1.00 0.00 O ATOM 851 CG2 THR A 58 10.298 4.465 -7.396 1.00 0.00 C ATOM 0 H THR A 58 8.574 2.356 -6.898 1.00 0.00 H new ATOM 0 HA THR A 58 7.658 4.400 -5.164 1.00 0.00 H new ATOM 0 HB THR A 58 9.989 3.484 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.786 5.778 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.376 4.536 -7.253 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.068 3.582 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.942 5.355 -7.914 1.00 0.00 H new ATOM 859 N LYS A 59 7.084 4.937 -8.237 1.00 0.00 N ATOM 860 CA LYS A 59 6.482 5.863 -9.181 1.00 0.00 C ATOM 861 C LYS A 59 5.406 6.685 -8.468 1.00 0.00 C ATOM 862 O LYS A 59 4.264 6.246 -8.347 1.00 0.00 O ATOM 863 CB LYS A 59 5.969 5.115 -10.412 1.00 0.00 C ATOM 864 CG LYS A 59 5.295 6.075 -11.396 1.00 0.00 C ATOM 865 CD LYS A 59 3.773 5.919 -11.356 1.00 0.00 C ATOM 866 CE LYS A 59 3.268 5.163 -12.587 1.00 0.00 C ATOM 867 NZ LYS A 59 2.701 3.854 -12.196 1.00 0.00 N ATOM 0 H LYS A 59 7.175 3.980 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 59 7.227 6.567 -9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.798 4.606 -10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.260 4.346 -10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.566 7.102 -11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.658 5.881 -12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.482 5.385 -10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.304 6.902 -11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.510 5.756 -13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.087 5.015 -13.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.363 3.355 -13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.434 3.284 -11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.906 4.001 -11.541 1.00 0.00 H new ATOM 881 N LEU A 60 5.811 7.862 -8.014 1.00 0.00 N ATOM 882 CA LEU A 60 4.895 8.749 -7.316 1.00 0.00 C ATOM 883 C LEU A 60 3.833 9.252 -8.296 1.00 0.00 C ATOM 884 O LEU A 60 4.062 10.216 -9.023 1.00 0.00 O ATOM 885 CB LEU A 60 5.665 9.870 -6.614 1.00 0.00 C ATOM 886 CG LEU A 60 6.842 10.463 -7.392 1.00 0.00 C ATOM 887 CD1 LEU A 60 6.780 11.992 -7.397 1.00 0.00 C ATOM 888 CD2 LEU A 60 8.175 9.946 -6.847 1.00 0.00 C ATOM 0 H LEU A 60 6.760 8.222 -8.116 1.00 0.00 H new ATOM 0 HA LEU A 60 4.371 8.211 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.966 10.674 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.038 9.488 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 60 6.768 10.134 -8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.627 12.389 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.851 12.317 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.817 12.361 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.995 10.383 -7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.273 10.226 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.208 8.860 -6.937 1.00 0.00 H new ATOM 900 N ALA A 61 2.694 8.576 -8.281 1.00 0.00 N ATOM 901 CA ALA A 61 1.595 8.942 -9.160 1.00 0.00 C ATOM 902 C ALA A 61 0.791 10.076 -8.519 1.00 0.00 C ATOM 903 O ALA A 61 0.000 9.843 -7.606 1.00 0.00 O ATOM 904 CB ALA A 61 0.737 7.709 -9.445 1.00 0.00 C ATOM 0 H ALA A 61 2.508 7.777 -7.675 1.00 0.00 H new ATOM 0 HA ALA A 61 1.973 9.305 -10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.087 7.983 -10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.347 6.944 -9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.338 7.319 -8.509 1.00 0.00 H new ATOM 910 N ILE A 62 1.022 11.280 -9.022 1.00 0.00 N ATOM 911 CA ILE A 62 0.331 12.451 -8.510 1.00 0.00 C ATOM 912 C ILE A 62 -1.126 12.421 -8.976 1.00 0.00 C ATOM 913 O ILE A 62 -2.044 12.546 -8.167 1.00 0.00 O ATOM 914 CB ILE A 62 1.075 13.728 -8.902 1.00 0.00 C ATOM 915 CG1 ILE A 62 0.540 14.934 -8.128 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.026 13.949 -10.415 1.00 0.00 C ATOM 917 CD1 ILE A 62 0.932 14.856 -6.651 1.00 0.00 C ATOM 0 H ILE A 62 1.678 11.470 -9.779 1.00 0.00 H new ATOM 0 HA ILE A 62 0.319 12.440 -7.420 1.00 0.00 H new ATOM 0 HB ILE A 62 2.123 13.610 -8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.932 15.853 -8.564 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.545 14.976 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.563 14.864 -10.667 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.492 13.104 -10.921 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.012 14.037 -10.736 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.539 15.725 -6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.518 13.948 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.018 14.839 -6.563 1.00 0.00 H new ATOM 929 N ALA A 63 -1.294 12.254 -10.281 1.00 0.00 N ATOM 930 CA ALA A 63 -2.623 12.206 -10.864 1.00 0.00 C ATOM 931 C ALA A 63 -3.553 11.417 -9.940 1.00 0.00 C ATOM 932 O ALA A 63 -3.543 10.188 -9.945 1.00 0.00 O ATOM 933 CB ALA A 63 -2.544 11.600 -12.267 1.00 0.00 C ATOM 0 H ALA A 63 -0.531 12.150 -10.950 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.034 13.211 -10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.542 11.564 -12.704 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.895 12.214 -12.892 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.138 10.590 -12.205 1.00 0.00 H new ATOM 939 N PRO A 64 -4.357 12.178 -9.149 1.00 0.00 N ATOM 940 CA PRO A 64 -5.291 11.563 -8.222 1.00 0.00 C ATOM 941 C PRO A 64 -6.503 10.992 -8.962 1.00 0.00 C ATOM 942 O PRO A 64 -7.101 11.670 -9.796 1.00 0.00 O ATOM 943 CB PRO A 64 -5.659 12.668 -7.244 1.00 0.00 C ATOM 944 CG PRO A 64 -5.283 13.972 -7.928 1.00 0.00 C ATOM 945 CD PRO A 64 -4.396 13.637 -9.116 1.00 0.00 C ATOM 0 HA PRO A 64 -4.862 10.710 -7.696 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.723 12.643 -7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.122 12.552 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.177 14.502 -8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.759 14.630 -7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.804 14.043 -10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.398 14.057 -8.996 1.00 0.00 H new ATOM 953 N GLY A 65 -6.827 9.751 -8.629 1.00 0.00 N ATOM 954 CA GLY A 65 -7.956 9.081 -9.252 1.00 0.00 C ATOM 955 C GLY A 65 -8.038 7.619 -8.809 1.00 0.00 C ATOM 956 O GLY A 65 -9.053 7.188 -8.263 1.00 0.00 O ATOM 0 H GLY A 65 -6.328 9.192 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.880 9.597 -8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.860 9.131 -10.337 1.00 0.00 H new ATOM 960 N SER A 66 -6.957 6.895 -9.062 1.00 0.00 N ATOM 961 CA SER A 66 -6.894 5.491 -8.696 1.00 0.00 C ATOM 962 C SER A 66 -5.612 4.864 -9.247 1.00 0.00 C ATOM 963 O SER A 66 -5.593 4.370 -10.373 1.00 0.00 O ATOM 964 CB SER A 66 -8.119 4.732 -9.209 1.00 0.00 C ATOM 965 OG SER A 66 -8.365 4.988 -10.589 1.00 0.00 O ATOM 0 H SER A 66 -6.118 7.255 -9.516 1.00 0.00 H new ATOM 0 HA SER A 66 -6.887 5.421 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.972 3.662 -9.059 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.994 5.018 -8.625 1.00 0.00 H new ATOM 0 HG SER A 66 -7.535 4.872 -11.096 1.00 0.00 H new ATOM 971 N PHE A 67 -4.571 4.905 -8.428 1.00 0.00 N ATOM 972 CA PHE A 67 -3.288 4.347 -8.819 1.00 0.00 C ATOM 973 C PHE A 67 -3.473 3.063 -9.631 1.00 0.00 C ATOM 974 O PHE A 67 -3.460 3.095 -10.861 1.00 0.00 O ATOM 975 CB PHE A 67 -2.532 4.016 -7.531 1.00 0.00 C ATOM 976 CG PHE A 67 -1.460 5.042 -7.157 1.00 0.00 C ATOM 977 CD1 PHE A 67 -1.822 6.301 -6.793 1.00 0.00 C ATOM 978 CD2 PHE A 67 -0.146 4.695 -7.190 1.00 0.00 C ATOM 979 CE1 PHE A 67 -0.829 7.254 -6.446 1.00 0.00 C ATOM 980 CE2 PHE A 67 0.849 5.648 -6.843 1.00 0.00 C ATOM 981 CZ PHE A 67 0.486 6.907 -6.478 1.00 0.00 C ATOM 0 H PHE A 67 -4.590 5.316 -7.495 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.745 5.062 -9.437 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.247 3.938 -6.712 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.063 3.038 -7.638 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.866 6.576 -6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.141 3.695 -7.480 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.117 8.254 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.893 5.373 -6.869 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.242 7.631 -6.213 1.00 0.00 H new ATOM 991 N TYR A 68 -3.641 1.964 -8.911 1.00 0.00 N ATOM 992 CA TYR A 68 -3.830 0.673 -9.550 1.00 0.00 C ATOM 993 C TYR A 68 -4.071 -0.423 -8.510 1.00 0.00 C ATOM 994 O TYR A 68 -4.060 -0.157 -7.309 1.00 0.00 O ATOM 995 CB TYR A 68 -2.525 0.376 -10.293 1.00 0.00 C ATOM 996 CG TYR A 68 -1.274 0.488 -9.421 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.062 -0.413 -8.397 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.354 1.490 -9.659 1.00 0.00 C ATOM 999 CE1 TYR A 68 0.117 -0.308 -7.577 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.824 1.596 -8.838 1.00 0.00 C ATOM 1001 CZ TYR A 68 1.002 0.692 -7.838 1.00 0.00 C ATOM 1002 OH TYR A 68 2.115 0.791 -7.063 1.00 0.00 O ATOM 0 H TYR A 68 -3.650 1.941 -7.891 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.694 0.696 -10.214 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.577 -0.630 -10.709 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.433 1.064 -11.133 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.781 -1.197 -8.211 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.518 2.194 -10.461 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.295 -1.007 -6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.550 2.376 -9.013 1.00 0.00 H new ATOM 0 HH TYR A 68 2.301 1.735 -6.876 1.00 0.00 H new ATOM 1012 N SER A 69 -4.282 -1.632 -9.009 1.00 0.00 N ATOM 1013 CA SER A 69 -4.525 -2.770 -8.137 1.00 0.00 C ATOM 1014 C SER A 69 -3.538 -3.894 -8.457 1.00 0.00 C ATOM 1015 O SER A 69 -2.692 -3.750 -9.339 1.00 0.00 O ATOM 1016 CB SER A 69 -5.964 -3.271 -8.276 1.00 0.00 C ATOM 1017 OG SER A 69 -6.135 -4.566 -7.704 1.00 0.00 O ATOM 0 H SER A 69 -4.290 -1.849 -10.006 1.00 0.00 H new ATOM 0 HA SER A 69 -4.378 -2.449 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.641 -2.568 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.237 -3.301 -9.331 1.00 0.00 H new ATOM 0 HG SER A 69 -7.085 -4.719 -7.519 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.679 -4.989 -7.724 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.811 -6.136 -7.918 1.00 0.00 C ATOM 1025 C VAL A 70 -3.372 -7.333 -7.146 1.00 0.00 C ATOM 1026 O VAL A 70 -3.879 -7.176 -6.036 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.378 -5.784 -7.513 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.595 -5.223 -8.703 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.366 -4.805 -6.338 1.00 0.00 C ATOM 0 H VAL A 70 -4.382 -5.105 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.778 -6.414 -8.971 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.885 -6.701 -7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.420 -4.981 -8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.561 -5.967 -9.499 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.086 -4.322 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.336 -4.571 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.884 -3.889 -6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.870 -5.256 -5.483 1.00 0.00 H new ATOM 1039 N THR A 71 -3.264 -8.499 -7.763 1.00 0.00 N ATOM 1040 CA THR A 71 -3.755 -9.720 -7.148 1.00 0.00 C ATOM 1041 C THR A 71 -2.598 -10.505 -6.524 1.00 0.00 C ATOM 1042 O THR A 71 -1.488 -10.506 -7.053 1.00 0.00 O ATOM 1043 CB THR A 71 -4.522 -10.510 -8.211 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.651 -9.691 -8.505 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.131 -11.799 -7.656 1.00 0.00 C ATOM 0 H THR A 71 -2.843 -8.625 -8.684 1.00 0.00 H new ATOM 0 HA THR A 71 -4.439 -9.503 -6.328 1.00 0.00 H new ATOM 0 HB THR A 71 -3.853 -10.751 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.203 -10.128 -9.187 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.664 -12.321 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.338 -12.439 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.826 -11.556 -6.852 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.900 -11.154 -5.409 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.899 -11.941 -4.708 1.00 0.00 C ATOM 1055 C LEU A 72 -2.363 -13.397 -4.633 1.00 0.00 C ATOM 1056 O LEU A 72 -3.491 -13.713 -5.009 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.591 -11.322 -3.343 1.00 0.00 C ATOM 1058 CG LEU A 72 -0.857 -9.981 -3.365 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -0.760 -9.384 -1.960 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.518 -10.119 -4.024 1.00 0.00 C ATOM 0 H LEU A 72 -3.823 -11.151 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.956 -11.934 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.530 -11.191 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.993 -12.032 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.438 -9.285 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.233 -8.431 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.762 -9.226 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.215 -10.069 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.019 -9.151 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.119 -10.837 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.397 -10.468 -5.050 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.470 -14.245 -4.143 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.775 -15.660 -4.014 1.00 0.00 C ATOM 1074 C GLY A 73 -0.998 -16.283 -2.852 1.00 0.00 C ATOM 1075 O GLY A 73 -1.557 -17.045 -2.065 1.00 0.00 O ATOM 0 H GLY A 73 -0.536 -13.979 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.845 -15.792 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.526 -16.176 -4.941 1.00 0.00 H new ATOM 1079 N THR A 74 0.279 -15.936 -2.783 1.00 0.00 N ATOM 1080 CA THR A 74 1.138 -16.451 -1.730 1.00 0.00 C ATOM 1081 C THR A 74 0.615 -16.024 -0.357 1.00 0.00 C ATOM 1082 O THR A 74 0.337 -14.847 -0.134 1.00 0.00 O ATOM 1083 CB THR A 74 2.565 -15.978 -2.011 1.00 0.00 C ATOM 1084 OG1 THR A 74 2.979 -16.764 -3.125 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.541 -16.368 -0.898 1.00 0.00 C ATOM 0 H THR A 74 0.739 -15.305 -3.439 1.00 0.00 H new ATOM 0 HA THR A 74 1.138 -17.541 -1.717 1.00 0.00 H new ATOM 0 HB THR A 74 2.570 -14.895 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.895 -16.520 -3.375 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.539 -16.008 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.218 -15.921 0.042 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.561 -17.453 -0.796 1.00 0.00 H new ATOM 1093 N PRO A 75 0.495 -17.030 0.550 1.00 0.00 N ATOM 1094 CA PRO A 75 0.010 -16.770 1.896 1.00 0.00 C ATOM 1095 C PRO A 75 1.085 -16.087 2.743 1.00 0.00 C ATOM 1096 O PRO A 75 2.274 -16.365 2.587 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.397 -18.131 2.436 1.00 0.00 C ATOM 1098 CG PRO A 75 0.301 -19.155 1.558 1.00 0.00 C ATOM 1099 CD PRO A 75 0.815 -18.435 0.321 1.00 0.00 C ATOM 0 HA PRO A 75 -0.834 -16.081 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.098 -18.242 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.479 -18.258 2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.125 -19.622 2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.389 -19.951 1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.888 -18.581 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.334 -18.808 -0.583 1.00 0.00 H new ATOM 1107 N GLY A 76 0.629 -15.206 3.622 1.00 0.00 N ATOM 1108 CA GLY A 76 1.538 -14.482 4.494 1.00 0.00 C ATOM 1109 C GLY A 76 1.062 -13.043 4.709 1.00 0.00 C ATOM 1110 O GLY A 76 0.031 -12.641 4.173 1.00 0.00 O ATOM 0 H GLY A 76 -0.357 -14.978 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.610 -14.992 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.538 -14.477 4.060 1.00 0.00 H new ATOM 1114 N THR A 77 1.837 -12.308 5.493 1.00 0.00 N ATOM 1115 CA THR A 77 1.507 -10.924 5.784 1.00 0.00 C ATOM 1116 C THR A 77 2.467 -9.982 5.054 1.00 0.00 C ATOM 1117 O THR A 77 3.680 -10.060 5.241 1.00 0.00 O ATOM 1118 CB THR A 77 1.517 -10.744 7.303 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.727 -9.579 7.521 1.00 0.00 O ATOM 1120 CG2 THR A 77 2.899 -10.363 7.839 1.00 0.00 C ATOM 0 H THR A 77 2.692 -12.645 5.935 1.00 0.00 H new ATOM 0 HA THR A 77 0.512 -10.670 5.419 1.00 0.00 H new ATOM 0 HB THR A 77 1.185 -11.667 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.680 -9.391 8.482 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.850 -10.248 8.922 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.615 -11.146 7.589 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.218 -9.423 7.388 1.00 0.00 H new ATOM 1128 N TYR A 78 1.888 -9.113 4.239 1.00 0.00 N ATOM 1129 CA TYR A 78 2.677 -8.157 3.480 1.00 0.00 C ATOM 1130 C TYR A 78 2.709 -6.796 4.178 1.00 0.00 C ATOM 1131 O TYR A 78 1.670 -6.284 4.596 1.00 0.00 O ATOM 1132 CB TYR A 78 1.975 -8.008 2.129 1.00 0.00 C ATOM 1133 CG TYR A 78 1.904 -9.304 1.319 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.041 -10.310 1.701 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.703 -9.466 0.205 1.00 0.00 C ATOM 1136 CE1 TYR A 78 0.974 -11.530 0.938 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.636 -10.685 -0.559 1.00 0.00 C ATOM 1138 CZ TYR A 78 1.775 -11.657 -0.154 1.00 0.00 C ATOM 1139 OH TYR A 78 1.712 -12.809 -0.875 1.00 0.00 O ATOM 0 H TYR A 78 0.881 -9.051 4.087 1.00 0.00 H new ATOM 0 HA TYR A 78 3.706 -8.502 3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.963 -7.640 2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.496 -7.252 1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.415 -10.183 2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.379 -8.678 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.303 -12.326 1.226 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.255 -10.824 -1.433 1.00 0.00 H new ATOM 0 HH TYR A 78 1.175 -13.470 -0.390 1.00 0.00 H new ATOM 1149 N SER A 79 3.910 -6.248 4.283 1.00 0.00 N ATOM 1150 CA SER A 79 4.091 -4.956 4.923 1.00 0.00 C ATOM 1151 C SER A 79 4.583 -3.931 3.901 1.00 0.00 C ATOM 1152 O SER A 79 5.366 -4.260 3.012 1.00 0.00 O ATOM 1153 CB SER A 79 5.073 -5.053 6.092 1.00 0.00 C ATOM 1154 OG SER A 79 4.935 -6.281 6.804 1.00 0.00 O ATOM 0 H SER A 79 4.768 -6.675 3.935 1.00 0.00 H new ATOM 0 HA SER A 79 3.128 -4.632 5.319 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.093 -4.963 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.909 -4.218 6.773 1.00 0.00 H new ATOM 0 HG SER A 79 5.580 -6.306 7.541 1.00 0.00 H new ATOM 1160 N PHE A 80 4.103 -2.706 4.060 1.00 0.00 N ATOM 1161 CA PHE A 80 4.484 -1.629 3.162 1.00 0.00 C ATOM 1162 C PHE A 80 4.603 -0.303 3.916 1.00 0.00 C ATOM 1163 O PHE A 80 4.450 -0.262 5.136 1.00 0.00 O ATOM 1164 CB PHE A 80 3.378 -1.509 2.113 1.00 0.00 C ATOM 1165 CG PHE A 80 1.962 -1.551 2.693 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.347 -2.747 2.898 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.321 -0.393 3.003 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.033 -2.785 3.437 1.00 0.00 C ATOM 1169 CE2 PHE A 80 0.007 -0.432 3.542 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.609 -1.627 3.747 1.00 0.00 C ATOM 0 H PHE A 80 3.453 -2.435 4.798 1.00 0.00 H new ATOM 0 HA PHE A 80 5.451 -1.846 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.509 -0.574 1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.488 -2.318 1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.857 -3.666 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.810 0.556 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.456 -3.734 3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.503 0.488 3.789 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.608 -1.656 4.156 1.00 0.00 H new ATOM 1180 N TYR A 81 4.872 0.749 3.158 1.00 0.00 N ATOM 1181 CA TYR A 81 5.013 2.074 3.738 1.00 0.00 C ATOM 1182 C TYR A 81 5.147 3.139 2.648 1.00 0.00 C ATOM 1183 O TYR A 81 5.619 2.852 1.549 1.00 0.00 O ATOM 1184 CB TYR A 81 6.302 2.039 4.562 1.00 0.00 C ATOM 1185 CG TYR A 81 7.573 1.896 3.723 1.00 0.00 C ATOM 1186 CD1 TYR A 81 8.058 2.976 3.015 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.235 0.685 3.674 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.254 2.841 2.225 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.431 0.550 2.885 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.883 1.634 2.199 1.00 0.00 C ATOM 1191 OH TYR A 81 11.013 1.507 1.453 1.00 0.00 O ATOM 0 H TYR A 81 4.996 0.711 2.146 1.00 0.00 H new ATOM 0 HA TYR A 81 4.139 2.324 4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.369 2.953 5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.248 1.209 5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.540 3.923 3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.855 -0.161 4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.643 3.679 1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.958 -0.391 2.839 1.00 0.00 H new ATOM 0 HH TYR A 81 11.354 0.592 1.530 1.00 0.00 H new ATOM 1201 N CYS A 82 4.725 4.347 2.990 1.00 0.00 N ATOM 1202 CA CYS A 82 4.793 5.457 2.055 1.00 0.00 C ATOM 1203 C CYS A 82 6.199 6.058 2.123 1.00 0.00 C ATOM 1204 O CYS A 82 6.779 6.168 3.202 1.00 0.00 O ATOM 1205 CB CYS A 82 3.712 6.502 2.336 1.00 0.00 C ATOM 1206 SG CYS A 82 2.878 7.163 0.849 1.00 0.00 S ATOM 0 H CYS A 82 4.334 4.582 3.903 1.00 0.00 H new ATOM 0 HA CYS A 82 4.602 5.095 1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.961 6.060 2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.162 7.331 2.882 1.00 0.00 H new ATOM 0 HG CYS A 82 3.565 6.849 -0.209 1.00 0.00 H new ATOM 1211 N THR A 83 6.705 6.433 0.958 1.00 0.00 N ATOM 1212 CA THR A 83 8.031 7.020 0.872 1.00 0.00 C ATOM 1213 C THR A 83 7.994 8.487 1.309 1.00 0.00 C ATOM 1214 O THR A 83 8.845 8.930 2.079 1.00 0.00 O ATOM 1215 CB THR A 83 8.543 6.825 -0.556 1.00 0.00 C ATOM 1216 OG1 THR A 83 7.989 5.574 -0.956 1.00 0.00 O ATOM 1217 CG2 THR A 83 10.055 6.597 -0.611 1.00 0.00 C ATOM 0 H THR A 83 6.220 6.342 0.065 1.00 0.00 H new ATOM 0 HA THR A 83 8.726 6.528 1.552 1.00 0.00 H new ATOM 0 HB THR A 83 8.286 7.698 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.172 4.900 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.366 6.464 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.569 7.459 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.309 5.705 -0.039 1.00 0.00 H new ATOM 1225 N PRO A 84 6.974 9.217 0.785 1.00 0.00 N ATOM 1226 CA PRO A 84 6.815 10.623 1.113 1.00 0.00 C ATOM 1227 C PRO A 84 6.259 10.797 2.528 1.00 0.00 C ATOM 1228 O PRO A 84 6.664 11.706 3.250 1.00 0.00 O ATOM 1229 CB PRO A 84 5.891 11.176 0.040 1.00 0.00 C ATOM 1230 CG PRO A 84 5.198 9.970 -0.575 1.00 0.00 C ATOM 1231 CD PRO A 84 5.948 8.726 -0.130 1.00 0.00 C ATOM 0 HA PRO A 84 7.762 11.162 1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.165 11.867 0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.453 11.729 -0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.157 9.923 -0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.194 10.045 -1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.282 8.019 0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.391 8.206 -0.979 1.00 0.00 H new ATOM 1239 N HIS A 85 5.339 9.911 2.881 1.00 0.00 N ATOM 1240 CA HIS A 85 4.724 9.955 4.196 1.00 0.00 C ATOM 1241 C HIS A 85 5.283 8.825 5.063 1.00 0.00 C ATOM 1242 O HIS A 85 4.531 8.127 5.741 1.00 0.00 O ATOM 1243 CB HIS A 85 3.198 9.916 4.083 1.00 0.00 C ATOM 1244 CG HIS A 85 2.631 10.895 3.083 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.227 10.520 1.813 1.00 0.00 N ATOM 1246 CD2 HIS A 85 2.403 12.236 3.179 1.00 0.00 C ATOM 1247 CE1 HIS A 85 1.780 11.596 1.182 1.00 0.00 C ATOM 1248 NE2 HIS A 85 1.890 12.658 2.030 1.00 0.00 N ATOM 0 H HIS A 85 5.005 9.159 2.279 1.00 0.00 H new ATOM 0 HA HIS A 85 4.971 10.897 4.685 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.890 8.908 3.804 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.766 10.122 5.062 1.00 0.00 H new ATOM 0 HD1 HIS A 85 2.267 9.576 1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 85 2.606 12.851 4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.396 11.626 0.173 1.00 0.00 H new ATOM 1256 N ARG A 86 6.599 8.679 5.011 1.00 0.00 N ATOM 1257 CA ARG A 86 7.268 7.645 5.783 1.00 0.00 C ATOM 1258 C ARG A 86 7.414 8.084 7.242 1.00 0.00 C ATOM 1259 O ARG A 86 7.301 7.266 8.153 1.00 0.00 O ATOM 1260 CB ARG A 86 8.652 7.339 5.209 1.00 0.00 C ATOM 1261 CG ARG A 86 9.602 8.521 5.408 1.00 0.00 C ATOM 1262 CD ARG A 86 10.843 8.383 4.521 1.00 0.00 C ATOM 1263 NE ARG A 86 11.639 9.630 4.567 1.00 0.00 N ATOM 1264 CZ ARG A 86 12.633 9.918 3.715 1.00 0.00 C ATOM 1265 NH1 ARG A 86 12.959 9.050 2.748 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.301 11.073 3.831 1.00 0.00 N ATOM 0 H ARG A 86 7.220 9.259 4.447 1.00 0.00 H new ATOM 0 HA ARG A 86 6.658 6.743 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.062 6.453 5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.567 7.111 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.085 9.451 5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.903 8.578 6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.449 7.542 4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.545 8.170 3.495 1.00 0.00 H new ATOM 0 HE ARG A 86 11.417 10.312 5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.451 8.170 2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.715 9.269 2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.053 11.734 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.057 11.292 3.183 1.00 0.00 H new ATOM 1280 N GLY A 87 7.662 9.373 7.417 1.00 0.00 N ATOM 1281 CA GLY A 87 7.825 9.929 8.749 1.00 0.00 C ATOM 1282 C GLY A 87 6.493 10.451 9.292 1.00 0.00 C ATOM 1283 O GLY A 87 6.307 10.545 10.504 1.00 0.00 O ATOM 0 H GLY A 87 7.754 10.049 6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.221 9.166 9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.553 10.739 8.722 1.00 0.00 H new ATOM 1287 N ALA A 88 5.600 10.775 8.368 1.00 0.00 N ATOM 1288 CA ALA A 88 4.291 11.284 8.739 1.00 0.00 C ATOM 1289 C ALA A 88 3.487 10.169 9.412 1.00 0.00 C ATOM 1290 O ALA A 88 2.433 10.423 9.993 1.00 0.00 O ATOM 1291 CB ALA A 88 3.589 11.840 7.498 1.00 0.00 C ATOM 0 H ALA A 88 5.758 10.695 7.363 1.00 0.00 H new ATOM 0 HA ALA A 88 4.386 12.101 9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.607 12.222 7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.186 12.648 7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.474 11.047 6.759 1.00 0.00 H new ATOM 1297 N GLY A 89 4.016 8.958 9.313 1.00 0.00 N ATOM 1298 CA GLY A 89 3.361 7.805 9.905 1.00 0.00 C ATOM 1299 C GLY A 89 2.263 7.265 8.986 1.00 0.00 C ATOM 1300 O GLY A 89 1.076 7.409 9.279 1.00 0.00 O ATOM 0 H GLY A 89 4.891 8.751 8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.096 7.024 10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.931 8.081 10.868 1.00 0.00 H new ATOM 1304 N MET A 90 2.697 6.657 7.892 1.00 0.00 N ATOM 1305 CA MET A 90 1.766 6.095 6.928 1.00 0.00 C ATOM 1306 C MET A 90 2.204 4.695 6.494 1.00 0.00 C ATOM 1307 O MET A 90 2.865 4.538 5.468 1.00 0.00 O ATOM 1308 CB MET A 90 1.687 7.009 5.703 1.00 0.00 C ATOM 1309 CG MET A 90 0.631 6.509 4.715 1.00 0.00 C ATOM 1310 SD MET A 90 -0.044 7.883 3.797 1.00 0.00 S ATOM 1311 CE MET A 90 -1.054 7.001 2.618 1.00 0.00 C ATOM 0 H MET A 90 3.681 6.541 7.651 1.00 0.00 H new ATOM 0 HA MET A 90 0.786 6.018 7.399 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.445 8.024 6.017 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.659 7.050 5.212 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.075 5.786 4.030 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.165 5.993 5.251 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.938 7.593 2.381 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.481 6.825 1.708 1.00 0.00 H new ATOM 0 HE3 MET A 90 -1.360 6.046 3.044 1.00 0.00 H new ATOM 1321 N VAL A 91 1.818 3.713 7.295 1.00 0.00 N ATOM 1322 CA VAL A 91 2.163 2.332 7.006 1.00 0.00 C ATOM 1323 C VAL A 91 0.917 1.457 7.160 1.00 0.00 C ATOM 1324 O VAL A 91 -0.015 1.819 7.877 1.00 0.00 O ATOM 1325 CB VAL A 91 3.322 1.885 7.900 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.654 2.430 7.383 1.00 0.00 C ATOM 1327 CG2 VAL A 91 3.086 2.298 9.353 1.00 0.00 C ATOM 0 H VAL A 91 1.269 3.847 8.144 1.00 0.00 H new ATOM 0 HA VAL A 91 2.506 2.231 5.976 1.00 0.00 H new ATOM 0 HB VAL A 91 3.370 0.797 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.461 2.098 8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.830 2.062 6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.622 3.519 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.925 1.968 9.966 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.997 3.383 9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.167 1.838 9.717 1.00 0.00 H new ATOM 1337 N GLY A 92 0.941 0.323 6.477 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.174 -0.606 6.528 1.00 0.00 C ATOM 1339 C GLY A 92 0.310 -2.052 6.405 1.00 0.00 C ATOM 1340 O GLY A 92 1.512 -2.314 6.438 1.00 0.00 O ATOM 0 H GLY A 92 1.716 0.026 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.715 -0.479 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.874 -0.384 5.723 1.00 0.00 H new ATOM 1344 N THR A 93 -0.650 -2.955 6.265 1.00 0.00 N ATOM 1345 CA THR A 93 -0.336 -4.368 6.137 1.00 0.00 C ATOM 1346 C THR A 93 -1.426 -5.085 5.338 1.00 0.00 C ATOM 1347 O THR A 93 -2.561 -4.617 5.269 1.00 0.00 O ATOM 1348 CB THR A 93 -0.138 -4.938 7.543 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.380 -3.842 8.292 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.973 -5.987 7.599 1.00 0.00 C ATOM 0 H THR A 93 -1.646 -2.735 6.237 1.00 0.00 H new ATOM 0 HA THR A 93 0.587 -4.520 5.577 1.00 0.00 H new ATOM 0 HB THR A 93 -1.072 -5.381 7.890 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.537 -4.123 9.218 1.00 0.00 H new ATOM 0 HG21 THR A 93 1.072 -6.359 8.619 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.726 -6.814 6.934 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.915 -5.537 7.284 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.042 -6.211 4.754 1.00 0.00 N ATOM 1359 CA ILE A 94 -1.972 -6.998 3.962 1.00 0.00 C ATOM 1360 C ILE A 94 -1.760 -8.484 4.261 1.00 0.00 C ATOM 1361 O ILE A 94 -0.625 -8.954 4.314 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.845 -6.646 2.479 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.311 -5.212 2.214 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.588 -7.661 1.608 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -1.516 -4.580 1.070 1.00 0.00 C ATOM 0 H ILE A 94 -0.100 -6.597 4.814 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.000 -6.760 4.236 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.791 -6.698 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.373 -5.210 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.192 -4.614 3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.481 -7.387 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.168 -8.654 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.644 -7.666 1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.867 -3.562 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.458 -4.561 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.656 -5.166 0.162 1.00 0.00 H new ATOM 1377 N THR A 95 -2.871 -9.181 4.451 1.00 0.00 N ATOM 1378 CA THR A 95 -2.820 -10.603 4.743 1.00 0.00 C ATOM 1379 C THR A 95 -3.485 -11.402 3.621 1.00 0.00 C ATOM 1380 O THR A 95 -4.513 -10.991 3.085 1.00 0.00 O ATOM 1381 CB THR A 95 -3.467 -10.827 6.112 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.937 -9.781 6.922 1.00 0.00 O ATOM 1383 CG2 THR A 95 -2.975 -12.107 6.790 1.00 0.00 C ATOM 0 H THR A 95 -3.811 -8.787 4.408 1.00 0.00 H new ATOM 0 HA THR A 95 -1.791 -10.961 4.789 1.00 0.00 H new ATOM 0 HB THR A 95 -4.550 -10.869 5.998 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.306 -9.850 7.827 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.465 -12.218 7.757 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.213 -12.966 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.896 -12.051 6.934 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.869 -12.530 3.298 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.387 -13.391 2.248 1.00 0.00 C ATOM 1393 C VAL A 96 -3.595 -14.800 2.806 1.00 0.00 C ATOM 1394 O VAL A 96 -2.814 -15.707 2.517 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.453 -13.359 1.036 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.633 -14.609 0.172 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.666 -12.088 0.213 1.00 0.00 C ATOM 0 H VAL A 96 -2.016 -12.867 3.745 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.357 -13.032 1.903 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.427 -13.351 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.958 -14.561 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.407 -15.496 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.663 -14.662 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.990 -12.091 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.697 -12.051 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.463 -11.215 0.833 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.649 -14.941 3.595 1.00 0.00 N ATOM 1408 CA GLU A 97 -4.969 -16.225 4.196 1.00 0.00 C ATOM 1409 C GLU A 97 -5.689 -17.119 3.185 1.00 0.00 C ATOM 1410 O GLU A 97 -5.357 -18.295 3.044 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.808 -16.043 5.463 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.325 -16.973 6.578 1.00 0.00 C ATOM 1413 CD GLU A 97 -6.384 -18.025 6.911 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -6.477 -19.003 6.137 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -7.078 -17.829 7.933 1.00 0.00 O ATOM 1416 OXT GLU A 97 -6.662 -16.529 2.507 1.00 0.00 O ATOM 0 H GLU A 97 -5.293 -14.187 3.833 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.037 -16.712 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.749 -15.007 5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.856 -16.247 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.402 -17.465 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.094 -16.389 7.469 1.00 0.00 H new