USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 635 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 NoAdj-H: A 44 HIS HD1 : A 44 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0258 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.52) USER MOD Single : A 25 MET CE :methyl -148:sc= -1.51 (180deg=-5.49!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.108 K(o=-0.11,f=-4!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 37 GLN : amide:sc= -2.37 K(o=-2.4,f=-0.32) USER MOD Single : A 40 HIS : no HD1:sc= -3.01! C(o=-3!,f=-2.7!) USER MOD Single : A 41 ASN : amide:sc= -0.0131 K(o=-0.013,f=-3.2) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -4.04! C(o=-4!,f=-4!) USER MOD Single : A 48 HIS : no HE2:sc= -8.67! C(o=-8.7!,f=-12!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.25) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0614 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 73 MET CE :methyl -144:sc= -0.866 (180deg=-3.97!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0219) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 81 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.93) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.663 38.713 4.639 1.00 0.00 N ATOM 2 CA GLY A 1 -7.937 38.676 5.895 1.00 0.00 C ATOM 3 C GLY A 1 -8.294 37.466 6.735 1.00 0.00 C ATOM 4 O GLY A 1 -9.425 36.983 6.691 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.907 39.697 4.408 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.069 38.317 3.883 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.534 38.151 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.866 38.671 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.150 39.583 6.461 1.00 0.00 H new ATOM 8 N SER A 2 -7.326 36.973 7.501 1.00 0.00 N ATOM 9 CA SER A 2 -7.543 35.808 8.351 1.00 0.00 C ATOM 10 C SER A 2 -8.900 35.885 9.043 1.00 0.00 C ATOM 11 O SER A 2 -9.663 34.918 9.048 1.00 0.00 O ATOM 12 CB SER A 2 -6.430 35.699 9.396 1.00 0.00 C ATOM 13 OG SER A 2 -6.413 34.412 9.989 1.00 0.00 O ATOM 0 H SER A 2 -6.384 37.362 7.550 1.00 0.00 H new ATOM 0 HA SER A 2 -7.527 34.920 7.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.466 35.900 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.575 36.456 10.167 1.00 0.00 H new ATOM 0 HG SER A 2 -5.692 34.367 10.652 1.00 0.00 H new ATOM 19 N SER A 3 -9.195 37.042 9.627 1.00 0.00 N ATOM 20 CA SER A 3 -10.458 37.246 10.325 1.00 0.00 C ATOM 21 C SER A 3 -11.639 37.085 9.372 1.00 0.00 C ATOM 22 O SER A 3 -11.512 37.303 8.168 1.00 0.00 O ATOM 23 CB SER A 3 -10.492 38.634 10.968 1.00 0.00 C ATOM 24 OG SER A 3 -10.536 39.651 9.982 1.00 0.00 O ATOM 0 H SER A 3 -8.576 37.853 9.630 1.00 0.00 H new ATOM 0 HA SER A 3 -10.539 36.490 11.106 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.363 38.716 11.619 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.611 38.769 11.596 1.00 0.00 H new ATOM 0 HG SER A 3 -10.559 40.528 10.418 1.00 0.00 H new ATOM 30 N GLY A 4 -12.788 36.703 9.921 1.00 0.00 N ATOM 31 CA GLY A 4 -13.974 36.519 9.106 1.00 0.00 C ATOM 32 C GLY A 4 -14.119 35.096 8.605 1.00 0.00 C ATOM 33 O GLY A 4 -13.129 34.380 8.455 1.00 0.00 O ATOM 0 H GLY A 4 -12.918 36.518 10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.856 36.788 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.935 37.198 8.254 1.00 0.00 H new ATOM 37 N SER A 5 -15.356 34.684 8.348 1.00 0.00 N ATOM 38 CA SER A 5 -15.628 33.334 7.866 1.00 0.00 C ATOM 39 C SER A 5 -15.842 33.329 6.356 1.00 0.00 C ATOM 40 O SER A 5 -16.735 32.652 5.847 1.00 0.00 O ATOM 41 CB SER A 5 -16.858 32.757 8.569 1.00 0.00 C ATOM 42 OG SER A 5 -18.030 33.469 8.212 1.00 0.00 O ATOM 0 H SER A 5 -16.186 35.265 8.465 1.00 0.00 H new ATOM 0 HA SER A 5 -14.763 32.712 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.972 31.706 8.304 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.717 32.800 9.649 1.00 0.00 H new ATOM 0 HG SER A 5 -18.802 33.080 8.673 1.00 0.00 H new ATOM 48 N SER A 6 -15.016 34.090 5.645 1.00 0.00 N ATOM 49 CA SER A 6 -15.116 34.178 4.193 1.00 0.00 C ATOM 50 C SER A 6 -14.172 33.184 3.522 1.00 0.00 C ATOM 51 O SER A 6 -14.597 32.349 2.724 1.00 0.00 O ATOM 52 CB SER A 6 -14.798 35.598 3.723 1.00 0.00 C ATOM 53 OG SER A 6 -15.058 35.748 2.338 1.00 0.00 O ATOM 0 H SER A 6 -14.270 34.655 6.051 1.00 0.00 H new ATOM 0 HA SER A 6 -16.139 33.930 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.396 36.314 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.752 35.826 3.926 1.00 0.00 H new ATOM 0 HG SER A 6 -14.848 36.665 2.063 1.00 0.00 H new ATOM 59 N GLY A 7 -12.888 33.281 3.853 1.00 0.00 N ATOM 60 CA GLY A 7 -11.903 32.386 3.275 1.00 0.00 C ATOM 61 C GLY A 7 -10.496 32.689 3.749 1.00 0.00 C ATOM 62 O GLY A 7 -10.243 32.772 4.950 1.00 0.00 O ATOM 0 H GLY A 7 -12.512 33.964 4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.156 31.357 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.941 32.462 2.188 1.00 0.00 H new ATOM 66 N ALA A 8 -9.577 32.852 2.803 1.00 0.00 N ATOM 67 CA ALA A 8 -8.187 33.147 3.131 1.00 0.00 C ATOM 68 C ALA A 8 -7.565 32.020 3.948 1.00 0.00 C ATOM 69 O ALA A 8 -6.833 32.267 4.907 1.00 0.00 O ATOM 70 CB ALA A 8 -8.091 34.465 3.886 1.00 0.00 C ATOM 0 H ALA A 8 -9.770 32.785 1.804 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.630 33.234 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.048 34.673 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.489 35.269 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.668 34.399 4.809 1.00 0.00 H new ATOM 76 N ASP A 9 -7.860 30.784 3.563 1.00 0.00 N ATOM 77 CA ASP A 9 -7.329 29.618 4.260 1.00 0.00 C ATOM 78 C ASP A 9 -6.698 28.638 3.277 1.00 0.00 C ATOM 79 O ASP A 9 -7.371 27.753 2.748 1.00 0.00 O ATOM 80 CB ASP A 9 -8.437 28.923 5.053 1.00 0.00 C ATOM 81 CG ASP A 9 -9.384 29.908 5.711 1.00 0.00 C ATOM 82 OD1 ASP A 9 -10.363 30.318 5.053 1.00 0.00 O ATOM 83 OD2 ASP A 9 -9.146 30.267 6.882 1.00 0.00 O ATOM 0 H ASP A 9 -8.464 30.563 2.772 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.558 29.958 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.002 28.270 4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.989 28.288 5.817 1.00 0.00 H new ATOM 88 N ASP A 10 -5.402 28.802 3.036 1.00 0.00 N ATOM 89 CA ASP A 10 -4.679 27.931 2.116 1.00 0.00 C ATOM 90 C ASP A 10 -3.642 27.096 2.859 1.00 0.00 C ATOM 91 O ASP A 10 -2.818 27.629 3.604 1.00 0.00 O ATOM 92 CB ASP A 10 -3.998 28.759 1.025 1.00 0.00 C ATOM 93 CG ASP A 10 -3.321 29.998 1.576 1.00 0.00 C ATOM 94 OD1 ASP A 10 -2.222 29.865 2.153 1.00 0.00 O ATOM 95 OD2 ASP A 10 -3.890 31.100 1.431 1.00 0.00 O ATOM 0 H ASP A 10 -4.830 29.530 3.465 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.399 27.256 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.259 28.142 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.738 29.053 0.281 1.00 0.00 H new ATOM 100 N PHE A 11 -3.688 25.784 2.654 1.00 0.00 N ATOM 101 CA PHE A 11 -2.753 24.874 3.306 1.00 0.00 C ATOM 102 C PHE A 11 -2.570 23.601 2.485 1.00 0.00 C ATOM 103 O PHE A 11 -3.538 23.021 1.995 1.00 0.00 O ATOM 104 CB PHE A 11 -3.248 24.522 4.711 1.00 0.00 C ATOM 105 CG PHE A 11 -2.140 24.238 5.684 1.00 0.00 C ATOM 106 CD1 PHE A 11 -1.403 25.274 6.236 1.00 0.00 C ATOM 107 CD2 PHE A 11 -1.834 22.936 6.045 1.00 0.00 C ATOM 108 CE1 PHE A 11 -0.383 25.016 7.132 1.00 0.00 C ATOM 109 CE2 PHE A 11 -0.815 22.673 6.941 1.00 0.00 C ATOM 110 CZ PHE A 11 -0.087 23.714 7.484 1.00 0.00 C ATOM 0 H PHE A 11 -4.363 25.327 2.041 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.789 25.377 3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.852 25.346 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.899 23.650 4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.628 26.294 5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.398 22.118 5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.182 25.832 7.557 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.588 21.654 7.217 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.712 23.510 8.182 1.00 0.00 H new ATOM 120 N ALA A 12 -1.320 23.174 2.339 1.00 0.00 N ATOM 121 CA ALA A 12 -1.008 21.970 1.579 1.00 0.00 C ATOM 122 C ALA A 12 -2.049 20.882 1.823 1.00 0.00 C ATOM 123 O ALA A 12 -2.545 20.262 0.883 1.00 0.00 O ATOM 124 CB ALA A 12 0.381 21.464 1.937 1.00 0.00 C ATOM 0 H ALA A 12 -0.507 23.644 2.737 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.027 22.224 0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.600 20.564 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.119 22.232 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.421 21.233 3.001 1.00 0.00 H new ATOM 130 N MET A 13 -2.373 20.654 3.092 1.00 0.00 N ATOM 131 CA MET A 13 -3.355 19.641 3.459 1.00 0.00 C ATOM 132 C MET A 13 -4.483 19.580 2.434 1.00 0.00 C ATOM 133 O MET A 13 -4.831 18.506 1.944 1.00 0.00 O ATOM 134 CB MET A 13 -3.928 19.933 4.847 1.00 0.00 C ATOM 135 CG MET A 13 -2.986 19.567 5.983 1.00 0.00 C ATOM 136 SD MET A 13 -2.531 17.822 5.971 1.00 0.00 S ATOM 137 CE MET A 13 -1.098 17.839 7.046 1.00 0.00 C ATOM 0 H MET A 13 -1.970 21.157 3.883 1.00 0.00 H new ATOM 0 HA MET A 13 -2.852 18.674 3.478 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.171 20.993 4.915 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.861 19.383 4.969 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.084 20.174 5.912 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.459 19.809 6.935 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.701 16.828 7.139 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.334 18.492 6.624 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.386 18.208 8.031 1.00 0.00 H new ATOM 147 N GLU A 14 -5.050 20.739 2.115 1.00 0.00 N ATOM 148 CA GLU A 14 -6.139 20.815 1.148 1.00 0.00 C ATOM 149 C GLU A 14 -5.887 19.881 -0.032 1.00 0.00 C ATOM 150 O GLU A 14 -6.665 18.964 -0.288 1.00 0.00 O ATOM 151 CB GLU A 14 -6.308 22.252 0.649 1.00 0.00 C ATOM 152 CG GLU A 14 -7.404 22.410 -0.391 1.00 0.00 C ATOM 153 CD GLU A 14 -7.394 23.777 -1.047 1.00 0.00 C ATOM 154 OE1 GLU A 14 -7.210 24.779 -0.324 1.00 0.00 O ATOM 155 OE2 GLU A 14 -7.570 23.846 -2.281 1.00 0.00 O ATOM 0 H GLU A 14 -4.774 21.637 2.511 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.056 20.501 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.528 22.899 1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.364 22.594 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.286 21.643 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.373 22.244 0.080 1.00 0.00 H new ATOM 162 N MET A 15 -4.792 20.123 -0.746 1.00 0.00 N ATOM 163 CA MET A 15 -4.436 19.303 -1.898 1.00 0.00 C ATOM 164 C MET A 15 -4.435 17.822 -1.533 1.00 0.00 C ATOM 165 O MET A 15 -5.156 17.025 -2.131 1.00 0.00 O ATOM 166 CB MET A 15 -3.062 19.709 -2.435 1.00 0.00 C ATOM 167 CG MET A 15 -3.078 21.003 -3.231 1.00 0.00 C ATOM 168 SD MET A 15 -1.601 21.214 -4.244 1.00 0.00 S ATOM 169 CE MET A 15 -1.439 22.998 -4.239 1.00 0.00 C ATOM 0 H MET A 15 -4.137 20.879 -0.547 1.00 0.00 H new ATOM 0 HA MET A 15 -5.184 19.467 -2.674 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.371 19.815 -1.599 1.00 0.00 H new ATOM 0 HB3 MET A 15 -2.677 18.908 -3.067 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.959 21.020 -3.872 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.167 21.846 -2.545 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.567 23.286 -4.826 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.333 23.446 -4.673 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.318 23.350 -3.214 1.00 0.00 H new ATOM 179 N GLY A 16 -3.620 17.461 -0.546 1.00 0.00 N ATOM 180 CA GLY A 16 -3.541 16.077 -0.119 1.00 0.00 C ATOM 181 C GLY A 16 -2.396 15.331 -0.776 1.00 0.00 C ATOM 182 O GLY A 16 -2.612 14.350 -1.488 1.00 0.00 O ATOM 0 H GLY A 16 -3.014 18.103 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.420 16.041 0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.479 15.574 -0.352 1.00 0.00 H new ATOM 186 N LEU A 17 -1.175 15.798 -0.539 1.00 0.00 N ATOM 187 CA LEU A 17 0.009 15.170 -1.115 1.00 0.00 C ATOM 188 C LEU A 17 0.995 14.766 -0.024 1.00 0.00 C ATOM 189 O LEU A 17 2.194 14.637 -0.274 1.00 0.00 O ATOM 190 CB LEU A 17 0.685 16.122 -2.103 1.00 0.00 C ATOM 191 CG LEU A 17 0.948 17.540 -1.596 1.00 0.00 C ATOM 192 CD1 LEU A 17 2.179 18.127 -2.269 1.00 0.00 C ATOM 193 CD2 LEU A 17 -0.266 18.426 -1.835 1.00 0.00 C ATOM 0 H LEU A 17 -0.979 16.609 0.048 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.307 14.271 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.636 15.684 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.065 16.187 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 17 1.133 17.493 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.351 19.137 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.046 17.505 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.023 18.160 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.061 19.432 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.482 18.467 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.126 18.015 -1.306 1.00 0.00 H new ATOM 205 N ALA A 18 0.483 14.565 1.185 1.00 0.00 N ATOM 206 CA ALA A 18 1.318 14.171 2.313 1.00 0.00 C ATOM 207 C ALA A 18 0.813 12.878 2.945 1.00 0.00 C ATOM 208 O ALA A 18 -0.392 12.632 3.000 1.00 0.00 O ATOM 209 CB ALA A 18 1.365 15.284 3.349 1.00 0.00 C ATOM 0 H ALA A 18 -0.507 14.669 1.409 1.00 0.00 H new ATOM 0 HA ALA A 18 2.327 13.993 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.992 14.976 4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.780 16.185 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.357 15.490 3.708 1.00 0.00 H new ATOM 215 N CYS A 19 1.742 12.055 3.420 1.00 0.00 N ATOM 216 CA CYS A 19 1.391 10.787 4.048 1.00 0.00 C ATOM 217 C CYS A 19 0.708 11.015 5.393 1.00 0.00 C ATOM 218 O CYS A 19 0.484 12.155 5.802 1.00 0.00 O ATOM 219 CB CYS A 19 2.642 9.926 4.238 1.00 0.00 C ATOM 220 SG CYS A 19 3.483 10.178 5.834 1.00 0.00 S ATOM 0 H CYS A 19 2.744 12.244 3.382 1.00 0.00 H new ATOM 0 HA CYS A 19 0.694 10.266 3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.364 8.876 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.344 10.141 3.432 1.00 0.00 H new ATOM 225 N VAL A 20 0.381 9.924 6.077 1.00 0.00 N ATOM 226 CA VAL A 20 -0.275 10.004 7.377 1.00 0.00 C ATOM 227 C VAL A 20 0.701 9.693 8.505 1.00 0.00 C ATOM 228 O VAL A 20 0.479 10.073 9.655 1.00 0.00 O ATOM 229 CB VAL A 20 -1.469 9.035 7.464 1.00 0.00 C ATOM 230 CG1 VAL A 20 -1.136 7.715 6.787 1.00 0.00 C ATOM 231 CG2 VAL A 20 -1.870 8.814 8.914 1.00 0.00 C ATOM 0 H VAL A 20 0.560 8.974 5.753 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.638 11.026 7.486 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.315 9.480 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.991 7.043 6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.902 7.893 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.276 7.261 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.715 8.127 8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.029 8.390 9.463 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.153 9.766 9.362 1.00 0.00 H new ATOM 241 N VAL A 21 1.785 9.001 8.169 1.00 0.00 N ATOM 242 CA VAL A 21 2.797 8.639 9.154 1.00 0.00 C ATOM 243 C VAL A 21 3.476 9.879 9.724 1.00 0.00 C ATOM 244 O VAL A 21 3.200 10.289 10.852 1.00 0.00 O ATOM 245 CB VAL A 21 3.869 7.715 8.544 1.00 0.00 C ATOM 246 CG1 VAL A 21 4.929 7.372 9.579 1.00 0.00 C ATOM 247 CG2 VAL A 21 3.228 6.454 7.985 1.00 0.00 C ATOM 0 H VAL A 21 1.985 8.680 7.222 1.00 0.00 H new ATOM 0 HA VAL A 21 2.284 8.108 9.955 1.00 0.00 H new ATOM 0 HB VAL A 21 4.355 8.242 7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.678 6.719 9.130 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.408 8.287 9.927 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.463 6.863 10.423 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.999 5.813 7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.715 5.921 8.786 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.510 6.723 7.210 1.00 0.00 H new ATOM 257 N CYS A 22 4.367 10.474 8.937 1.00 0.00 N ATOM 258 CA CYS A 22 5.087 11.669 9.362 1.00 0.00 C ATOM 259 C CYS A 22 4.338 12.932 8.948 1.00 0.00 C ATOM 260 O CYS A 22 4.725 14.043 9.310 1.00 0.00 O ATOM 261 CB CYS A 22 6.496 11.679 8.767 1.00 0.00 C ATOM 262 SG CYS A 22 6.545 12.031 6.980 1.00 0.00 S ATOM 0 H CYS A 22 4.608 10.148 8.001 1.00 0.00 H new ATOM 0 HA CYS A 22 5.159 11.652 10.449 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.095 12.425 9.290 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.963 10.711 8.949 1.00 0.00 H new ATOM 267 N ARG A 23 3.263 12.753 8.186 1.00 0.00 N ATOM 268 CA ARG A 23 2.460 13.877 7.722 1.00 0.00 C ATOM 269 C ARG A 23 3.323 14.889 6.974 1.00 0.00 C ATOM 270 O ARG A 23 3.339 16.073 7.310 1.00 0.00 O ATOM 271 CB ARG A 23 1.764 14.557 8.902 1.00 0.00 C ATOM 272 CG ARG A 23 0.880 13.621 9.709 1.00 0.00 C ATOM 273 CD ARG A 23 1.639 13.001 10.872 1.00 0.00 C ATOM 274 NE ARG A 23 1.506 13.790 12.094 1.00 0.00 N ATOM 275 CZ ARG A 23 1.648 13.283 13.314 1.00 0.00 C ATOM 276 NH1 ARG A 23 1.926 11.997 13.473 1.00 0.00 N ATOM 277 NH2 ARG A 23 1.513 14.065 14.378 1.00 0.00 N ATOM 0 H ARG A 23 2.929 11.840 7.877 1.00 0.00 H new ATOM 0 HA ARG A 23 1.704 13.493 7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.519 14.987 9.560 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.159 15.383 8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.018 14.170 10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.497 12.832 9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.268 11.992 11.050 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.693 12.912 10.611 1.00 0.00 H new ATOM 0 HE ARG A 23 1.293 14.784 12.006 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.032 11.393 12.658 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.034 11.611 14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.300 15.055 14.259 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.622 13.675 15.314 1.00 0.00 H new ATOM 291 N GLN A 24 4.040 14.414 5.961 1.00 0.00 N ATOM 292 CA GLN A 24 4.906 15.278 5.167 1.00 0.00 C ATOM 293 C GLN A 24 4.734 15.001 3.677 1.00 0.00 C ATOM 294 O GLN A 24 4.043 14.060 3.287 1.00 0.00 O ATOM 295 CB GLN A 24 6.369 15.077 5.569 1.00 0.00 C ATOM 296 CG GLN A 24 6.631 15.315 7.047 1.00 0.00 C ATOM 297 CD GLN A 24 8.109 15.299 7.387 1.00 0.00 C ATOM 298 OE1 GLN A 24 8.935 15.825 6.641 1.00 0.00 O ATOM 299 NE2 GLN A 24 8.450 14.694 8.519 1.00 0.00 N ATOM 0 H GLN A 24 4.039 13.436 5.671 1.00 0.00 H new ATOM 0 HA GLN A 24 4.621 16.312 5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.671 14.061 5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.994 15.752 4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.205 16.275 7.338 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.119 14.550 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.732 14.271 9.107 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.430 14.652 8.800 1.00 0.00 H new ATOM 308 N MET A 25 5.365 15.828 2.850 1.00 0.00 N ATOM 309 CA MET A 25 5.282 15.671 1.403 1.00 0.00 C ATOM 310 C MET A 25 6.641 15.305 0.816 1.00 0.00 C ATOM 311 O MET A 25 6.735 14.851 -0.325 1.00 0.00 O ATOM 312 CB MET A 25 4.765 16.959 0.758 1.00 0.00 C ATOM 313 CG MET A 25 3.430 17.425 1.317 1.00 0.00 C ATOM 314 SD MET A 25 3.617 18.530 2.729 1.00 0.00 S ATOM 315 CE MET A 25 1.914 18.693 3.259 1.00 0.00 C ATOM 0 H MET A 25 5.939 16.613 3.157 1.00 0.00 H new ATOM 0 HA MET A 25 4.585 14.861 1.190 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.504 17.748 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.665 16.803 -0.316 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.870 17.935 0.533 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.842 16.557 1.615 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.758 19.685 3.684 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.252 18.556 2.404 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.694 17.937 4.013 1.00 0.00 H new ATOM 325 N THR A 26 7.694 15.505 1.603 1.00 0.00 N ATOM 326 CA THR A 26 9.048 15.198 1.161 1.00 0.00 C ATOM 327 C THR A 26 9.102 13.850 0.451 1.00 0.00 C ATOM 328 O THR A 26 8.706 12.826 1.009 1.00 0.00 O ATOM 329 CB THR A 26 10.035 15.182 2.343 1.00 0.00 C ATOM 330 OG1 THR A 26 9.995 16.437 3.032 1.00 0.00 O ATOM 331 CG2 THR A 26 11.452 14.907 1.862 1.00 0.00 C ATOM 0 H THR A 26 7.634 15.879 2.550 1.00 0.00 H new ATOM 0 HA THR A 26 9.339 15.985 0.465 1.00 0.00 H new ATOM 0 HB THR A 26 9.738 14.384 3.024 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.624 16.418 3.783 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.131 14.901 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.486 13.938 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.756 15.685 1.162 1.00 0.00 H new ATOM 339 N VAL A 27 9.595 13.855 -0.784 1.00 0.00 N ATOM 340 CA VAL A 27 9.702 12.632 -1.570 1.00 0.00 C ATOM 341 C VAL A 27 11.000 12.604 -2.369 1.00 0.00 C ATOM 342 O VAL A 27 11.766 13.567 -2.361 1.00 0.00 O ATOM 343 CB VAL A 27 8.513 12.481 -2.537 1.00 0.00 C ATOM 344 CG1 VAL A 27 7.240 12.154 -1.772 1.00 0.00 C ATOM 345 CG2 VAL A 27 8.338 13.744 -3.367 1.00 0.00 C ATOM 0 H VAL A 27 9.927 14.693 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 27 9.695 11.801 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 27 8.722 11.654 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.411 12.051 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.373 11.219 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.022 12.957 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.493 13.620 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.152 14.591 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.243 13.928 -3.945 1.00 0.00 H new ATOM 355 N ALA A 28 11.241 11.494 -3.058 1.00 0.00 N ATOM 356 CA ALA A 28 12.445 11.341 -3.865 1.00 0.00 C ATOM 357 C ALA A 28 12.420 10.032 -4.646 1.00 0.00 C ATOM 358 O ALA A 28 11.603 9.152 -4.376 1.00 0.00 O ATOM 359 CB ALA A 28 13.683 11.408 -2.983 1.00 0.00 C ATOM 0 H ALA A 28 10.618 10.687 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 28 12.478 12.161 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.575 11.292 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.716 12.371 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.646 10.608 -2.243 1.00 0.00 H new ATOM 365 N SER A 29 13.320 9.910 -5.617 1.00 0.00 N ATOM 366 CA SER A 29 13.397 8.710 -6.441 1.00 0.00 C ATOM 367 C SER A 29 13.393 7.454 -5.574 1.00 0.00 C ATOM 368 O SER A 29 14.234 7.293 -4.691 1.00 0.00 O ATOM 369 CB SER A 29 14.659 8.741 -7.307 1.00 0.00 C ATOM 370 OG SER A 29 14.928 7.465 -7.861 1.00 0.00 O ATOM 0 H SER A 29 14.006 10.628 -5.852 1.00 0.00 H new ATOM 0 HA SER A 29 12.520 8.687 -7.088 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.537 9.470 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.508 9.067 -6.706 1.00 0.00 H new ATOM 0 HG SER A 29 15.738 7.511 -8.411 1.00 0.00 H new ATOM 376 N GLY A 30 12.437 6.567 -5.834 1.00 0.00 N ATOM 377 CA GLY A 30 12.339 5.337 -5.069 1.00 0.00 C ATOM 378 C GLY A 30 11.483 5.493 -3.828 1.00 0.00 C ATOM 379 O GLY A 30 10.741 4.583 -3.459 1.00 0.00 O ATOM 0 H GLY A 30 11.729 6.678 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.920 4.553 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.338 5.013 -4.779 1.00 0.00 H new ATOM 383 N ASN A 31 11.587 6.649 -3.180 1.00 0.00 N ATOM 384 CA ASN A 31 10.817 6.920 -1.972 1.00 0.00 C ATOM 385 C ASN A 31 9.713 7.936 -2.246 1.00 0.00 C ATOM 386 O ASN A 31 9.796 9.087 -1.817 1.00 0.00 O ATOM 387 CB ASN A 31 11.736 7.435 -0.862 1.00 0.00 C ATOM 388 CG ASN A 31 12.699 6.372 -0.368 1.00 0.00 C ATOM 389 OD1 ASN A 31 12.966 5.390 -1.061 1.00 0.00 O ATOM 390 ND2 ASN A 31 13.224 6.563 0.836 1.00 0.00 N ATOM 0 H ASN A 31 12.197 7.413 -3.471 1.00 0.00 H new ATOM 0 HA ASN A 31 10.355 5.987 -1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.302 8.291 -1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.130 7.789 -0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.877 5.881 1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.974 7.392 1.376 1.00 0.00 H new ATOM 397 N GLN A 32 8.681 7.502 -2.962 1.00 0.00 N ATOM 398 CA GLN A 32 7.561 8.374 -3.293 1.00 0.00 C ATOM 399 C GLN A 32 6.396 8.152 -2.334 1.00 0.00 C ATOM 400 O GLN A 32 6.507 7.391 -1.371 1.00 0.00 O ATOM 401 CB GLN A 32 7.105 8.131 -4.733 1.00 0.00 C ATOM 402 CG GLN A 32 8.179 8.424 -5.768 1.00 0.00 C ATOM 403 CD GLN A 32 7.602 8.868 -7.098 1.00 0.00 C ATOM 404 OE1 GLN A 32 7.079 8.057 -7.862 1.00 0.00 O ATOM 405 NE2 GLN A 32 7.694 10.162 -7.381 1.00 0.00 N ATOM 0 H GLN A 32 8.597 6.552 -3.324 1.00 0.00 H new ATOM 0 HA GLN A 32 7.897 9.406 -3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.787 7.093 -4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.234 8.753 -4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.843 9.200 -5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.786 7.531 -5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.136 10.799 -6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.323 10.519 -8.261 1.00 0.00 H new ATOM 414 N LEU A 33 5.279 8.819 -2.603 1.00 0.00 N ATOM 415 CA LEU A 33 4.092 8.695 -1.764 1.00 0.00 C ATOM 416 C LEU A 33 3.111 7.688 -2.355 1.00 0.00 C ATOM 417 O LEU A 33 3.171 7.369 -3.542 1.00 0.00 O ATOM 418 CB LEU A 33 3.411 10.055 -1.605 1.00 0.00 C ATOM 419 CG LEU A 33 3.861 10.896 -0.409 1.00 0.00 C ATOM 420 CD1 LEU A 33 3.383 12.332 -0.556 1.00 0.00 C ATOM 421 CD2 LEU A 33 3.350 10.291 0.890 1.00 0.00 C ATOM 0 H LEU A 33 5.170 9.451 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 33 4.406 8.337 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.581 10.632 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.336 9.893 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 33 4.951 10.900 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.713 12.915 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.799 12.762 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.295 12.349 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.679 10.902 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.261 10.256 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.743 9.280 1.000 1.00 0.00 H new ATOM 433 N VAL A 34 2.205 7.191 -1.518 1.00 0.00 N ATOM 434 CA VAL A 34 1.208 6.222 -1.958 1.00 0.00 C ATOM 435 C VAL A 34 -0.149 6.502 -1.321 1.00 0.00 C ATOM 436 O VAL A 34 -0.238 7.195 -0.308 1.00 0.00 O ATOM 437 CB VAL A 34 1.635 4.782 -1.617 1.00 0.00 C ATOM 438 CG1 VAL A 34 0.679 3.779 -2.244 1.00 0.00 C ATOM 439 CG2 VAL A 34 3.063 4.528 -2.076 1.00 0.00 C ATOM 0 H VAL A 34 2.141 7.444 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 34 1.126 6.322 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 34 1.597 4.656 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.997 2.767 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.328 3.949 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.682 3.901 -3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.349 3.506 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.129 4.671 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.735 5.225 -1.575 1.00 0.00 H new ATOM 449 N GLU A 35 -1.202 5.958 -1.922 1.00 0.00 N ATOM 450 CA GLU A 35 -2.555 6.150 -1.412 1.00 0.00 C ATOM 451 C GLU A 35 -3.317 4.828 -1.379 1.00 0.00 C ATOM 452 O GLU A 35 -3.287 4.057 -2.339 1.00 0.00 O ATOM 453 CB GLU A 35 -3.309 7.164 -2.274 1.00 0.00 C ATOM 454 CG GLU A 35 -4.752 7.372 -1.847 1.00 0.00 C ATOM 455 CD GLU A 35 -5.554 8.158 -2.866 1.00 0.00 C ATOM 456 OE1 GLU A 35 -5.232 8.074 -4.069 1.00 0.00 O ATOM 457 OE2 GLU A 35 -6.505 8.859 -2.458 1.00 0.00 O ATOM 0 H GLU A 35 -1.145 5.381 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.481 6.532 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.786 8.120 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.290 6.831 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.224 6.402 -1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.772 7.896 -0.891 1.00 0.00 H new ATOM 464 N CYS A 36 -3.998 4.572 -0.268 1.00 0.00 N ATOM 465 CA CYS A 36 -4.767 3.344 -0.107 1.00 0.00 C ATOM 466 C CYS A 36 -6.104 3.440 -0.838 1.00 0.00 C ATOM 467 O CYS A 36 -6.551 4.530 -1.192 1.00 0.00 O ATOM 468 CB CYS A 36 -5.005 3.056 1.377 1.00 0.00 C ATOM 469 SG CYS A 36 -6.002 1.566 1.695 1.00 0.00 S ATOM 0 H CYS A 36 -4.033 5.199 0.535 1.00 0.00 H new ATOM 0 HA CYS A 36 -4.192 2.526 -0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.041 2.948 1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.502 3.915 1.828 1.00 0.00 H new ATOM 474 N GLN A 37 -6.735 2.291 -1.059 1.00 0.00 N ATOM 475 CA GLN A 37 -8.019 2.246 -1.747 1.00 0.00 C ATOM 476 C GLN A 37 -9.170 2.171 -0.749 1.00 0.00 C ATOM 477 O GLN A 37 -10.234 2.746 -0.971 1.00 0.00 O ATOM 478 CB GLN A 37 -8.072 1.046 -2.695 1.00 0.00 C ATOM 479 CG GLN A 37 -7.086 1.138 -3.848 1.00 0.00 C ATOM 480 CD GLN A 37 -7.126 2.485 -4.544 1.00 0.00 C ATOM 481 OE1 GLN A 37 -7.794 2.650 -5.564 1.00 0.00 O ATOM 482 NE2 GLN A 37 -6.408 3.457 -3.993 1.00 0.00 N ATOM 0 H GLN A 37 -6.378 1.380 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.124 3.163 -2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.872 0.137 -2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.081 0.955 -3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.078 0.956 -3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.305 0.353 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.869 3.276 -3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.396 4.385 -4.416 1.00 0.00 H new ATOM 491 N GLU A 38 -8.947 1.458 0.351 1.00 0.00 N ATOM 492 CA GLU A 38 -9.967 1.308 1.383 1.00 0.00 C ATOM 493 C GLU A 38 -10.009 2.535 2.288 1.00 0.00 C ATOM 494 O GLU A 38 -10.967 3.309 2.260 1.00 0.00 O ATOM 495 CB GLU A 38 -9.699 0.054 2.217 1.00 0.00 C ATOM 496 CG GLU A 38 -10.953 -0.556 2.820 1.00 0.00 C ATOM 497 CD GLU A 38 -11.573 0.324 3.888 1.00 0.00 C ATOM 498 OE1 GLU A 38 -10.855 0.698 4.839 1.00 0.00 O ATOM 499 OE2 GLU A 38 -12.776 0.639 3.774 1.00 0.00 O ATOM 0 H GLU A 38 -8.071 0.976 0.550 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.934 1.208 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.208 -0.691 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.005 0.303 3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.683 -0.732 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.709 -1.527 3.251 1.00 0.00 H new ATOM 506 N CYS A 39 -8.965 2.706 3.092 1.00 0.00 N ATOM 507 CA CYS A 39 -8.882 3.838 4.008 1.00 0.00 C ATOM 508 C CYS A 39 -8.665 5.141 3.244 1.00 0.00 C ATOM 509 O CYS A 39 -9.041 6.217 3.711 1.00 0.00 O ATOM 510 CB CYS A 39 -7.746 3.627 5.011 1.00 0.00 C ATOM 511 SG CYS A 39 -7.444 1.881 5.435 1.00 0.00 S ATOM 0 H CYS A 39 -8.164 2.075 3.128 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.826 3.907 4.548 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.830 4.054 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.974 4.177 5.924 1.00 0.00 H new ATOM 516 N HIS A 40 -8.057 5.036 2.066 1.00 0.00 N ATOM 517 CA HIS A 40 -7.791 6.206 1.237 1.00 0.00 C ATOM 518 C HIS A 40 -6.838 7.166 1.941 1.00 0.00 C ATOM 519 O HIS A 40 -7.005 8.383 1.873 1.00 0.00 O ATOM 520 CB HIS A 40 -9.098 6.924 0.896 1.00 0.00 C ATOM 521 CG HIS A 40 -9.835 6.312 -0.255 1.00 0.00 C ATOM 522 ND1 HIS A 40 -9.714 6.764 -1.552 1.00 0.00 N ATOM 523 CD2 HIS A 40 -10.705 5.276 -0.299 1.00 0.00 C ATOM 524 CE1 HIS A 40 -10.479 6.033 -2.344 1.00 0.00 C ATOM 525 NE2 HIS A 40 -11.091 5.123 -1.608 1.00 0.00 N ATOM 0 H HIS A 40 -7.740 4.154 1.665 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.320 5.867 0.314 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.744 6.921 1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.880 7.967 0.664 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.034 4.680 0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.586 6.158 -3.411 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.744 4.421 -1.955 1.00 0.00 H new ATOM 534 N ASN A 41 -5.839 6.610 2.619 1.00 0.00 N ATOM 535 CA ASN A 41 -4.860 7.417 3.337 1.00 0.00 C ATOM 536 C ASN A 41 -3.519 7.422 2.609 1.00 0.00 C ATOM 537 O ASN A 41 -3.165 6.457 1.931 1.00 0.00 O ATOM 538 CB ASN A 41 -4.678 6.888 4.761 1.00 0.00 C ATOM 539 CG ASN A 41 -5.880 7.173 5.642 1.00 0.00 C ATOM 540 OD1 ASN A 41 -6.937 6.563 5.483 1.00 0.00 O ATOM 541 ND2 ASN A 41 -5.722 8.103 6.576 1.00 0.00 N ATOM 0 H ASN A 41 -5.686 5.604 2.686 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.233 8.440 3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.503 5.813 4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.791 7.341 5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.495 8.337 7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.827 8.583 6.671 1.00 0.00 H new ATOM 548 N LEU A 42 -2.776 8.514 2.756 1.00 0.00 N ATOM 549 CA LEU A 42 -1.473 8.644 2.113 1.00 0.00 C ATOM 550 C LEU A 42 -0.380 8.004 2.963 1.00 0.00 C ATOM 551 O LEU A 42 -0.241 8.311 4.147 1.00 0.00 O ATOM 552 CB LEU A 42 -1.148 10.119 1.870 1.00 0.00 C ATOM 553 CG LEU A 42 -1.981 10.822 0.798 1.00 0.00 C ATOM 554 CD1 LEU A 42 -1.515 12.259 0.617 1.00 0.00 C ATOM 555 CD2 LEU A 42 -1.904 10.065 -0.520 1.00 0.00 C ATOM 0 H LEU A 42 -3.053 9.321 3.314 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.514 8.124 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.273 10.657 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.096 10.198 1.594 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.021 10.837 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.119 12.744 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.623 12.798 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.468 12.266 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.503 10.580 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.867 10.018 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.287 9.054 -0.382 1.00 0.00 H new ATOM 567 N TYR A 43 0.394 7.115 2.350 1.00 0.00 N ATOM 568 CA TYR A 43 1.474 6.431 3.050 1.00 0.00 C ATOM 569 C TYR A 43 2.758 6.454 2.225 1.00 0.00 C ATOM 570 O TYR A 43 2.817 5.890 1.132 1.00 0.00 O ATOM 571 CB TYR A 43 1.078 4.986 3.357 1.00 0.00 C ATOM 572 CG TYR A 43 0.241 4.841 4.608 1.00 0.00 C ATOM 573 CD1 TYR A 43 0.838 4.760 5.861 1.00 0.00 C ATOM 574 CD2 TYR A 43 -1.145 4.783 4.539 1.00 0.00 C ATOM 575 CE1 TYR A 43 0.079 4.626 7.007 1.00 0.00 C ATOM 576 CE2 TYR A 43 -1.913 4.651 5.679 1.00 0.00 C ATOM 577 CZ TYR A 43 -1.296 4.573 6.911 1.00 0.00 C ATOM 578 OH TYR A 43 -2.058 4.439 8.050 1.00 0.00 O ATOM 0 H TYR A 43 0.293 6.851 1.370 1.00 0.00 H new ATOM 0 HA TYR A 43 1.655 6.957 3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.523 4.582 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.981 4.385 3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.914 4.803 5.940 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.631 4.842 3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.559 4.563 7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.990 4.609 5.607 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.007 4.419 7.808 1.00 0.00 H new ATOM 588 N HIS A 44 3.784 7.110 2.758 1.00 0.00 N ATOM 589 CA HIS A 44 5.068 7.206 2.073 1.00 0.00 C ATOM 590 C HIS A 44 5.657 5.821 1.825 1.00 0.00 C ATOM 591 O HIS A 44 5.750 5.004 2.741 1.00 0.00 O ATOM 592 CB HIS A 44 6.045 8.049 2.892 1.00 0.00 C ATOM 593 CG HIS A 44 6.062 9.495 2.502 1.00 0.00 C ATOM 594 ND1 HIS A 44 5.769 10.516 3.382 1.00 0.00 N ATOM 595 CD2 HIS A 44 6.342 10.090 1.319 1.00 0.00 C ATOM 596 CE1 HIS A 44 5.865 11.675 2.756 1.00 0.00 C ATOM 597 NE2 HIS A 44 6.213 11.444 1.503 1.00 0.00 N ATOM 0 H HIS A 44 3.751 7.583 3.661 1.00 0.00 H new ATOM 0 HA HIS A 44 4.902 7.689 1.110 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.785 7.969 3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 44 7.049 7.639 2.779 1.00 0.00 H new ATOM 0 HD2 HIS A 44 6.616 9.592 0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.689 12.646 3.194 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.362 12.156 0.788 1.00 0.00 H new ATOM 605 N GLN A 45 6.051 5.564 0.582 1.00 0.00 N ATOM 606 CA GLN A 45 6.629 4.277 0.215 1.00 0.00 C ATOM 607 C GLN A 45 7.560 3.766 1.310 1.00 0.00 C ATOM 608 O GLN A 45 7.784 2.562 1.435 1.00 0.00 O ATOM 609 CB GLN A 45 7.392 4.395 -1.106 1.00 0.00 C ATOM 610 CG GLN A 45 6.488 4.502 -2.323 1.00 0.00 C ATOM 611 CD GLN A 45 7.245 4.348 -3.628 1.00 0.00 C ATOM 612 OE1 GLN A 45 8.335 3.776 -3.662 1.00 0.00 O ATOM 613 NE2 GLN A 45 6.671 4.858 -4.710 1.00 0.00 N ATOM 0 H GLN A 45 5.980 6.230 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 45 5.815 3.563 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.038 5.272 -1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.040 3.526 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.714 3.737 -2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.983 5.468 -2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.767 5.324 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.134 4.784 -5.616 1.00 0.00 H new ATOM 622 N ASP A 46 8.099 4.688 2.099 1.00 0.00 N ATOM 623 CA ASP A 46 9.005 4.331 3.184 1.00 0.00 C ATOM 624 C ASP A 46 8.259 4.258 4.513 1.00 0.00 C ATOM 625 O ASP A 46 8.154 3.192 5.121 1.00 0.00 O ATOM 626 CB ASP A 46 10.146 5.345 3.280 1.00 0.00 C ATOM 627 CG ASP A 46 9.689 6.760 2.980 1.00 0.00 C ATOM 628 OD1 ASP A 46 9.244 7.010 1.841 1.00 0.00 O ATOM 629 OD2 ASP A 46 9.777 7.616 3.886 1.00 0.00 O ATOM 0 H ASP A 46 7.924 5.689 2.008 1.00 0.00 H new ATOM 0 HA ASP A 46 9.422 3.347 2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.577 5.310 4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.936 5.066 2.583 1.00 0.00 H new ATOM 634 N CYS A 47 7.744 5.399 4.960 1.00 0.00 N ATOM 635 CA CYS A 47 7.010 5.466 6.217 1.00 0.00 C ATOM 636 C CYS A 47 6.177 4.205 6.429 1.00 0.00 C ATOM 637 O CYS A 47 6.094 3.682 7.541 1.00 0.00 O ATOM 638 CB CYS A 47 6.103 6.699 6.237 1.00 0.00 C ATOM 639 SG CYS A 47 7.002 8.283 6.217 1.00 0.00 S ATOM 0 H CYS A 47 7.822 6.290 4.469 1.00 0.00 H new ATOM 0 HA CYS A 47 7.734 5.542 7.028 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.437 6.661 5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.475 6.661 7.127 1.00 0.00 H new ATOM 644 N HIS A 48 5.562 3.721 5.355 1.00 0.00 N ATOM 645 CA HIS A 48 4.736 2.521 5.422 1.00 0.00 C ATOM 646 C HIS A 48 5.570 1.310 5.829 1.00 0.00 C ATOM 647 O HIS A 48 6.789 1.295 5.655 1.00 0.00 O ATOM 648 CB HIS A 48 4.065 2.262 4.073 1.00 0.00 C ATOM 649 CG HIS A 48 2.750 1.554 4.185 1.00 0.00 C ATOM 650 ND1 HIS A 48 2.404 0.479 3.394 1.00 0.00 N ATOM 651 CD2 HIS A 48 1.693 1.773 5.003 1.00 0.00 C ATOM 652 CE1 HIS A 48 1.191 0.068 3.719 1.00 0.00 C ATOM 653 NE2 HIS A 48 0.738 0.837 4.693 1.00 0.00 N ATOM 0 H HIS A 48 5.620 4.141 4.428 1.00 0.00 H new ATOM 0 HA HIS A 48 3.967 2.681 6.177 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.914 3.213 3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.736 1.670 3.451 1.00 0.00 H new ATOM 0 HD1 HIS A 48 2.993 0.066 2.671 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.616 2.541 5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.660 -0.756 3.266 1.00 0.00 H new ATOM 662 N LYS A 49 4.906 0.296 6.374 1.00 0.00 N ATOM 663 CA LYS A 49 5.585 -0.920 6.806 1.00 0.00 C ATOM 664 C LYS A 49 6.295 -1.592 5.635 1.00 0.00 C ATOM 665 O LYS A 49 7.524 -1.642 5.570 1.00 0.00 O ATOM 666 CB LYS A 49 4.583 -1.892 7.434 1.00 0.00 C ATOM 667 CG LYS A 49 4.500 -1.786 8.947 1.00 0.00 C ATOM 668 CD LYS A 49 3.724 -0.554 9.378 1.00 0.00 C ATOM 669 CE LYS A 49 3.116 -0.734 10.761 1.00 0.00 C ATOM 670 NZ LYS A 49 4.142 -0.636 11.835 1.00 0.00 N ATOM 0 H LYS A 49 3.898 0.292 6.527 1.00 0.00 H new ATOM 0 HA LYS A 49 6.331 -0.645 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.596 -1.707 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.860 -2.911 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.020 -2.678 9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.506 -1.748 9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.386 0.312 9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.934 -0.349 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.349 0.023 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.623 -1.704 10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.688 -0.764 12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.861 -1.375 11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.595 0.299 11.798 1.00 0.00 H new ATOM 684 N PRO A 50 5.507 -2.120 4.687 1.00 0.00 N ATOM 685 CA PRO A 50 6.039 -2.796 3.501 1.00 0.00 C ATOM 686 C PRO A 50 6.716 -1.828 2.537 1.00 0.00 C ATOM 687 O PRO A 50 6.053 -1.021 1.886 1.00 0.00 O ATOM 688 CB PRO A 50 4.795 -3.412 2.855 1.00 0.00 C ATOM 689 CG PRO A 50 3.666 -2.556 3.317 1.00 0.00 C ATOM 690 CD PRO A 50 4.034 -2.096 4.700 1.00 0.00 C ATOM 0 HA PRO A 50 6.807 -3.525 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.872 -3.413 1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.659 -4.448 3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.521 -1.707 2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.731 -3.116 3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.650 -1.097 4.907 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.628 -2.758 5.465 1.00 0.00 H new ATOM 698 N GLN A 51 8.040 -1.916 2.450 1.00 0.00 N ATOM 699 CA GLN A 51 8.806 -1.046 1.565 1.00 0.00 C ATOM 700 C GLN A 51 8.216 -1.045 0.158 1.00 0.00 C ATOM 701 O GLN A 51 8.431 -1.977 -0.617 1.00 0.00 O ATOM 702 CB GLN A 51 10.268 -1.493 1.517 1.00 0.00 C ATOM 703 CG GLN A 51 11.128 -0.877 2.608 1.00 0.00 C ATOM 704 CD GLN A 51 12.340 -1.724 2.944 1.00 0.00 C ATOM 705 OE1 GLN A 51 13.009 -2.251 2.055 1.00 0.00 O ATOM 706 NE2 GLN A 51 12.629 -1.860 4.233 1.00 0.00 N ATOM 0 H GLN A 51 8.604 -2.580 2.981 1.00 0.00 H new ATOM 0 HA GLN A 51 8.756 -0.032 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.310 -2.579 1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.687 -1.233 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.458 0.112 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.526 -0.739 3.506 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.047 -1.405 4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.433 -2.419 4.519 1.00 0.00 H new ATOM 715 N VAL A 52 7.470 0.006 -0.165 1.00 0.00 N ATOM 716 CA VAL A 52 6.849 0.129 -1.478 1.00 0.00 C ATOM 717 C VAL A 52 7.832 0.686 -2.501 1.00 0.00 C ATOM 718 O VAL A 52 8.569 1.633 -2.220 1.00 0.00 O ATOM 719 CB VAL A 52 5.606 1.038 -1.429 1.00 0.00 C ATOM 720 CG1 VAL A 52 4.903 1.054 -2.777 1.00 0.00 C ATOM 721 CG2 VAL A 52 4.658 0.584 -0.329 1.00 0.00 C ATOM 0 H VAL A 52 7.281 0.785 0.465 1.00 0.00 H new ATOM 0 HA VAL A 52 6.545 -0.874 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 52 5.929 2.054 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.028 1.701 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.586 1.430 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.591 0.042 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.785 1.237 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.340 -0.440 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.168 0.630 0.633 1.00 0.00 H new ATOM 731 N THR A 53 7.839 0.094 -3.691 1.00 0.00 N ATOM 732 CA THR A 53 8.732 0.531 -4.757 1.00 0.00 C ATOM 733 C THR A 53 8.012 1.451 -5.735 1.00 0.00 C ATOM 734 O THR A 53 6.789 1.582 -5.694 1.00 0.00 O ATOM 735 CB THR A 53 9.312 -0.669 -5.530 1.00 0.00 C ATOM 736 OG1 THR A 53 8.250 -1.493 -6.024 1.00 0.00 O ATOM 737 CG2 THR A 53 10.229 -1.494 -4.641 1.00 0.00 C ATOM 0 H THR A 53 7.236 -0.690 -3.941 1.00 0.00 H new ATOM 0 HA THR A 53 9.547 1.077 -4.283 1.00 0.00 H new ATOM 0 HB THR A 53 9.894 -0.286 -6.368 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.627 -2.252 -6.516 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.626 -2.335 -5.209 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.052 -0.872 -4.291 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.667 -1.867 -3.785 1.00 0.00 H new ATOM 745 N ASP A 54 8.778 2.088 -6.614 1.00 0.00 N ATOM 746 CA ASP A 54 8.212 2.996 -7.605 1.00 0.00 C ATOM 747 C ASP A 54 7.453 2.223 -8.680 1.00 0.00 C ATOM 748 O ASP A 54 6.263 2.450 -8.898 1.00 0.00 O ATOM 749 CB ASP A 54 9.317 3.836 -8.248 1.00 0.00 C ATOM 750 CG ASP A 54 10.480 2.991 -8.730 1.00 0.00 C ATOM 751 OD1 ASP A 54 10.997 2.183 -7.931 1.00 0.00 O ATOM 752 OD2 ASP A 54 10.874 3.139 -9.906 1.00 0.00 O ATOM 0 H ASP A 54 9.792 1.992 -6.660 1.00 0.00 H new ATOM 0 HA ASP A 54 7.512 3.659 -7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.903 4.393 -9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.678 4.569 -7.527 1.00 0.00 H new ATOM 757 N LYS A 55 8.150 1.311 -9.349 1.00 0.00 N ATOM 758 CA LYS A 55 7.543 0.504 -10.400 1.00 0.00 C ATOM 759 C LYS A 55 6.092 0.176 -10.065 1.00 0.00 C ATOM 760 O LYS A 55 5.236 0.132 -10.949 1.00 0.00 O ATOM 761 CB LYS A 55 8.336 -0.789 -10.601 1.00 0.00 C ATOM 762 CG LYS A 55 8.291 -1.316 -12.025 1.00 0.00 C ATOM 763 CD LYS A 55 8.405 -2.831 -12.064 1.00 0.00 C ATOM 764 CE LYS A 55 9.855 -3.282 -11.989 1.00 0.00 C ATOM 765 NZ LYS A 55 9.979 -4.764 -12.063 1.00 0.00 N ATOM 0 H LYS A 55 9.136 1.112 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 55 7.562 1.082 -11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.375 -0.616 -10.320 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.946 -1.552 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.359 -1.008 -12.498 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.103 -0.874 -12.603 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.846 -3.261 -11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.953 -3.208 -12.981 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.419 -2.829 -12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.298 -2.926 -11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.983 -5.032 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.462 -5.196 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.579 -5.101 -12.962 1.00 0.00 H new ATOM 779 N GLU A 56 5.822 -0.053 -8.784 1.00 0.00 N ATOM 780 CA GLU A 56 4.473 -0.377 -8.334 1.00 0.00 C ATOM 781 C GLU A 56 3.603 0.876 -8.279 1.00 0.00 C ATOM 782 O GLU A 56 2.584 0.968 -8.964 1.00 0.00 O ATOM 783 CB GLU A 56 4.517 -1.041 -6.956 1.00 0.00 C ATOM 784 CG GLU A 56 4.745 -2.542 -7.012 1.00 0.00 C ATOM 785 CD GLU A 56 3.927 -3.217 -8.096 1.00 0.00 C ATOM 786 OE1 GLU A 56 2.695 -3.017 -8.120 1.00 0.00 O ATOM 787 OE2 GLU A 56 4.520 -3.943 -8.921 1.00 0.00 O ATOM 0 H GLU A 56 6.519 -0.020 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 56 4.035 -1.072 -9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.311 -0.583 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.579 -0.843 -6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.803 -2.739 -7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.493 -2.980 -6.046 1.00 0.00 H new ATOM 794 N VAL A 57 4.012 1.838 -7.459 1.00 0.00 N ATOM 795 CA VAL A 57 3.271 3.086 -7.314 1.00 0.00 C ATOM 796 C VAL A 57 2.873 3.649 -8.673 1.00 0.00 C ATOM 797 O VAL A 57 1.850 4.320 -8.802 1.00 0.00 O ATOM 798 CB VAL A 57 4.094 4.142 -6.553 1.00 0.00 C ATOM 799 CG1 VAL A 57 4.901 4.991 -7.524 1.00 0.00 C ATOM 800 CG2 VAL A 57 3.185 5.013 -5.700 1.00 0.00 C ATOM 0 H VAL A 57 4.853 1.778 -6.884 1.00 0.00 H new ATOM 0 HA VAL A 57 2.372 2.856 -6.742 1.00 0.00 H new ATOM 0 HB VAL A 57 4.791 3.627 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.476 5.732 -6.968 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.581 4.352 -8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.225 5.498 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.784 5.753 -5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.463 5.521 -6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.656 4.390 -4.979 1.00 0.00 H new ATOM 810 N ASN A 58 3.689 3.371 -9.685 1.00 0.00 N ATOM 811 CA ASN A 58 3.421 3.851 -11.036 1.00 0.00 C ATOM 812 C ASN A 58 2.133 3.244 -11.584 1.00 0.00 C ATOM 813 O ASN A 58 1.227 3.962 -12.006 1.00 0.00 O ATOM 814 CB ASN A 58 4.592 3.511 -11.961 1.00 0.00 C ATOM 815 CG ASN A 58 5.724 4.515 -11.854 1.00 0.00 C ATOM 816 OD1 ASN A 58 5.504 5.724 -11.922 1.00 0.00 O ATOM 817 ND2 ASN A 58 6.943 4.016 -11.685 1.00 0.00 N ATOM 0 H ASN A 58 4.540 2.816 -9.595 1.00 0.00 H new ATOM 0 HA ASN A 58 3.302 4.934 -10.993 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.967 2.517 -11.717 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.239 3.474 -12.991 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.744 4.642 -11.606 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.078 3.006 -11.634 1.00 0.00 H new ATOM 824 N ASP A 59 2.059 1.917 -11.573 1.00 0.00 N ATOM 825 CA ASP A 59 0.882 1.213 -12.066 1.00 0.00 C ATOM 826 C ASP A 59 -0.393 1.979 -11.725 1.00 0.00 C ATOM 827 O ASP A 59 -0.790 2.086 -10.565 1.00 0.00 O ATOM 828 CB ASP A 59 0.818 -0.196 -11.475 1.00 0.00 C ATOM 829 CG ASP A 59 -0.151 -1.093 -12.219 1.00 0.00 C ATOM 830 OD1 ASP A 59 -1.312 -0.678 -12.418 1.00 0.00 O ATOM 831 OD2 ASP A 59 0.252 -2.211 -12.604 1.00 0.00 O ATOM 0 H ASP A 59 2.801 1.308 -11.228 1.00 0.00 H new ATOM 0 HA ASP A 59 0.962 1.140 -13.151 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.812 -0.642 -11.498 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.521 -0.134 -10.428 1.00 0.00 H new ATOM 836 N PRO A 60 -1.049 2.527 -12.759 1.00 0.00 N ATOM 837 CA PRO A 60 -2.288 3.293 -12.594 1.00 0.00 C ATOM 838 C PRO A 60 -3.464 2.413 -12.186 1.00 0.00 C ATOM 839 O PRO A 60 -4.304 2.816 -11.382 1.00 0.00 O ATOM 840 CB PRO A 60 -2.523 3.891 -13.983 1.00 0.00 C ATOM 841 CG PRO A 60 -1.827 2.962 -14.918 1.00 0.00 C ATOM 842 CD PRO A 60 -0.633 2.439 -14.169 1.00 0.00 C ATOM 0 HA PRO A 60 -2.204 4.038 -11.803 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.587 3.958 -14.210 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.118 4.900 -14.053 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.485 2.148 -15.221 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.521 3.480 -15.827 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.397 1.414 -14.455 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.257 3.037 -14.363 1.00 0.00 H new ATOM 850 N ARG A 61 -3.518 1.209 -12.746 1.00 0.00 N ATOM 851 CA ARG A 61 -4.592 0.272 -12.441 1.00 0.00 C ATOM 852 C ARG A 61 -4.182 -0.680 -11.321 1.00 0.00 C ATOM 853 O ARG A 61 -4.603 -1.837 -11.290 1.00 0.00 O ATOM 854 CB ARG A 61 -4.971 -0.527 -13.690 1.00 0.00 C ATOM 855 CG ARG A 61 -5.313 0.343 -14.889 1.00 0.00 C ATOM 856 CD ARG A 61 -6.577 1.152 -14.648 1.00 0.00 C ATOM 857 NE ARG A 61 -6.344 2.276 -13.744 1.00 0.00 N ATOM 858 CZ ARG A 61 -7.282 3.153 -13.405 1.00 0.00 C ATOM 859 NH1 ARG A 61 -8.510 3.037 -13.891 1.00 0.00 N ATOM 860 NH2 ARG A 61 -6.992 4.149 -12.577 1.00 0.00 N ATOM 0 H ARG A 61 -2.830 0.860 -13.413 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.457 0.846 -12.108 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.144 -1.186 -13.954 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.825 -1.164 -13.458 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.483 1.017 -15.099 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.444 -0.285 -15.770 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.956 1.525 -15.600 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.348 0.504 -14.230 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.410 2.394 -13.352 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.737 2.273 -14.527 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.228 3.712 -13.629 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.048 4.241 -12.201 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.713 4.822 -12.317 1.00 0.00 H new ATOM 874 N LEU A 62 -3.359 -0.185 -10.403 1.00 0.00 N ATOM 875 CA LEU A 62 -2.892 -0.990 -9.281 1.00 0.00 C ATOM 876 C LEU A 62 -3.559 -0.552 -7.981 1.00 0.00 C ATOM 877 O LEU A 62 -3.493 0.616 -7.600 1.00 0.00 O ATOM 878 CB LEU A 62 -1.372 -0.882 -9.149 1.00 0.00 C ATOM 879 CG LEU A 62 -0.779 -1.344 -7.817 1.00 0.00 C ATOM 880 CD1 LEU A 62 -0.517 -2.842 -7.840 1.00 0.00 C ATOM 881 CD2 LEU A 62 0.501 -0.582 -7.509 1.00 0.00 C ATOM 0 H LEU A 62 -3.002 0.770 -10.414 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.161 -2.028 -9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.916 -1.465 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.086 0.158 -9.310 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.501 -1.134 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.095 -3.152 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.453 -3.373 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.186 -3.076 -8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.908 -0.924 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.229 -0.759 -8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.284 0.484 -7.448 1.00 0.00 H new ATOM 893 N VAL A 63 -4.200 -1.499 -7.303 1.00 0.00 N ATOM 894 CA VAL A 63 -4.876 -1.212 -6.043 1.00 0.00 C ATOM 895 C VAL A 63 -3.926 -1.367 -4.861 1.00 0.00 C ATOM 896 O VAL A 63 -3.529 -2.479 -4.513 1.00 0.00 O ATOM 897 CB VAL A 63 -6.091 -2.136 -5.836 1.00 0.00 C ATOM 898 CG1 VAL A 63 -5.709 -3.586 -6.092 1.00 0.00 C ATOM 899 CG2 VAL A 63 -6.657 -1.965 -4.434 1.00 0.00 C ATOM 0 H VAL A 63 -4.265 -2.471 -7.605 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.219 -0.179 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.864 -1.857 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.580 -4.224 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.354 -3.693 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.919 -3.881 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.515 -2.625 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.892 -2.216 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.970 -0.931 -4.292 1.00 0.00 H new ATOM 909 N TRP A 64 -3.566 -0.245 -4.249 1.00 0.00 N ATOM 910 CA TRP A 64 -2.662 -0.256 -3.104 1.00 0.00 C ATOM 911 C TRP A 64 -3.441 -0.231 -1.794 1.00 0.00 C ATOM 912 O TRP A 64 -4.513 0.369 -1.710 1.00 0.00 O ATOM 913 CB TRP A 64 -1.710 0.940 -3.168 1.00 0.00 C ATOM 914 CG TRP A 64 -0.541 0.820 -2.238 1.00 0.00 C ATOM 915 CD1 TRP A 64 0.609 0.116 -2.454 1.00 0.00 C ATOM 916 CD2 TRP A 64 -0.410 1.420 -0.945 1.00 0.00 C ATOM 917 NE1 TRP A 64 1.447 0.242 -1.373 1.00 0.00 N ATOM 918 CE2 TRP A 64 0.846 1.038 -0.434 1.00 0.00 C ATOM 919 CE3 TRP A 64 -1.229 2.245 -0.170 1.00 0.00 C ATOM 920 CZ2 TRP A 64 1.298 1.451 0.816 1.00 0.00 C ATOM 921 CZ3 TRP A 64 -0.780 2.654 1.071 1.00 0.00 C ATOM 922 CH2 TRP A 64 0.475 2.258 1.554 1.00 0.00 C ATOM 0 H TRP A 64 -3.886 0.683 -4.526 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.081 -1.177 -3.141 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.343 1.049 -4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.263 1.848 -2.929 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.827 -0.456 -3.344 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.368 -0.188 -1.284 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.196 2.558 -0.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.264 1.145 1.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.407 3.290 1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.799 2.596 2.527 1.00 0.00 H new ATOM 933 N TYR A 65 -2.897 -0.886 -0.775 1.00 0.00 N ATOM 934 CA TYR A 65 -3.544 -0.940 0.531 1.00 0.00 C ATOM 935 C TYR A 65 -2.541 -0.665 1.647 1.00 0.00 C ATOM 936 O TYR A 65 -1.339 -0.877 1.485 1.00 0.00 O ATOM 937 CB TYR A 65 -4.198 -2.307 0.743 1.00 0.00 C ATOM 938 CG TYR A 65 -5.473 -2.497 -0.047 1.00 0.00 C ATOM 939 CD1 TYR A 65 -6.563 -1.658 0.144 1.00 0.00 C ATOM 940 CD2 TYR A 65 -5.586 -3.516 -0.985 1.00 0.00 C ATOM 941 CE1 TYR A 65 -7.731 -1.829 -0.575 1.00 0.00 C ATOM 942 CE2 TYR A 65 -6.749 -3.694 -1.709 1.00 0.00 C ATOM 943 CZ TYR A 65 -7.818 -2.848 -1.500 1.00 0.00 C ATOM 944 OH TYR A 65 -8.979 -3.020 -2.220 1.00 0.00 O ATOM 0 H TYR A 65 -2.010 -1.387 -0.828 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.313 -0.168 0.560 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.489 -3.087 0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.415 -2.436 1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.497 -0.858 0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.751 -4.180 -1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.570 -1.169 -0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.821 -4.491 -2.434 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.876 -3.780 -2.830 1.00 0.00 H new ATOM 954 N CYS A 66 -3.045 -0.192 2.783 1.00 0.00 N ATOM 955 CA CYS A 66 -2.196 0.113 3.928 1.00 0.00 C ATOM 956 C CYS A 66 -2.352 -0.944 5.017 1.00 0.00 C ATOM 957 O CYS A 66 -3.461 -1.390 5.310 1.00 0.00 O ATOM 958 CB CYS A 66 -2.538 1.494 4.490 1.00 0.00 C ATOM 959 SG CYS A 66 -4.179 1.592 5.274 1.00 0.00 S ATOM 0 H CYS A 66 -4.037 -0.012 2.934 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.160 0.112 3.591 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.780 1.775 5.222 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.488 2.225 3.683 1.00 0.00 H new ATOM 964 N ALA A 67 -1.232 -1.341 5.614 1.00 0.00 N ATOM 965 CA ALA A 67 -1.244 -2.343 6.672 1.00 0.00 C ATOM 966 C ALA A 67 -2.546 -2.289 7.465 1.00 0.00 C ATOM 967 O ALA A 67 -3.245 -3.294 7.598 1.00 0.00 O ATOM 968 CB ALA A 67 -0.052 -2.148 7.598 1.00 0.00 C ATOM 0 H ALA A 67 -0.305 -0.983 5.382 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.172 -3.326 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.074 -2.903 8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.872 -2.245 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.099 -1.156 8.047 1.00 0.00 H new ATOM 974 N ARG A 68 -2.866 -1.110 7.989 1.00 0.00 N ATOM 975 CA ARG A 68 -4.083 -0.927 8.770 1.00 0.00 C ATOM 976 C ARG A 68 -5.206 -1.816 8.244 1.00 0.00 C ATOM 977 O ARG A 68 -5.842 -2.547 9.004 1.00 0.00 O ATOM 978 CB ARG A 68 -4.520 0.539 8.736 1.00 0.00 C ATOM 979 CG ARG A 68 -3.951 1.371 9.874 1.00 0.00 C ATOM 980 CD ARG A 68 -4.615 1.029 11.199 1.00 0.00 C ATOM 981 NE ARG A 68 -3.914 -0.043 11.901 1.00 0.00 N ATOM 982 CZ ARG A 68 -4.392 -0.649 12.983 1.00 0.00 C ATOM 983 NH1 ARG A 68 -5.566 -0.290 13.482 1.00 0.00 N ATOM 984 NH2 ARG A 68 -3.695 -1.616 13.566 1.00 0.00 N ATOM 0 H ARG A 68 -2.300 -0.268 7.887 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.870 -1.212 9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.213 0.979 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.608 0.586 8.772 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.877 1.201 9.949 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.092 2.430 9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.644 1.917 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.648 0.731 11.021 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.008 -0.343 11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.104 0.452 13.036 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.931 -0.756 14.312 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.791 -1.895 13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.063 -2.080 14.396 1.00 0.00 H new ATOM 998 N CYS A 69 -5.446 -1.747 6.939 1.00 0.00 N ATOM 999 CA CYS A 69 -6.492 -2.544 6.310 1.00 0.00 C ATOM 1000 C CYS A 69 -5.957 -3.910 5.889 1.00 0.00 C ATOM 1001 O CYS A 69 -6.602 -4.937 6.106 1.00 0.00 O ATOM 1002 CB CYS A 69 -7.060 -1.810 5.093 1.00 0.00 C ATOM 1003 SG CYS A 69 -5.820 -1.412 3.820 1.00 0.00 S ATOM 0 H CYS A 69 -4.930 -1.147 6.296 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.288 -2.694 7.040 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.842 -2.423 4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.532 -0.886 5.427 1.00 0.00 H new ATOM 1008 N THR A 70 -4.772 -3.915 5.286 1.00 0.00 N ATOM 1009 CA THR A 70 -4.150 -5.153 4.834 1.00 0.00 C ATOM 1010 C THR A 70 -4.293 -6.254 5.880 1.00 0.00 C ATOM 1011 O THR A 70 -4.686 -7.377 5.563 1.00 0.00 O ATOM 1012 CB THR A 70 -2.656 -4.950 4.521 1.00 0.00 C ATOM 1013 OG1 THR A 70 -2.465 -3.710 3.829 1.00 0.00 O ATOM 1014 CG2 THR A 70 -2.118 -6.095 3.677 1.00 0.00 C ATOM 0 H THR A 70 -4.224 -3.075 5.100 1.00 0.00 H new ATOM 0 HA THR A 70 -4.667 -5.452 3.922 1.00 0.00 H new ATOM 0 HB THR A 70 -2.110 -4.928 5.464 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.512 -3.587 3.635 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.061 -5.928 3.469 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.238 -7.034 4.218 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.669 -6.145 2.738 1.00 0.00 H new ATOM 1022 N ARG A 71 -3.971 -5.925 7.126 1.00 0.00 N ATOM 1023 CA ARG A 71 -4.063 -6.886 8.218 1.00 0.00 C ATOM 1024 C ARG A 71 -5.494 -7.393 8.377 1.00 0.00 C ATOM 1025 O ARG A 71 -5.716 -8.562 8.692 1.00 0.00 O ATOM 1026 CB ARG A 71 -3.588 -6.252 9.527 1.00 0.00 C ATOM 1027 CG ARG A 71 -4.448 -5.086 9.986 1.00 0.00 C ATOM 1028 CD ARG A 71 -4.103 -4.664 11.405 1.00 0.00 C ATOM 1029 NE ARG A 71 -4.328 -5.740 12.366 1.00 0.00 N ATOM 1030 CZ ARG A 71 -3.415 -6.655 12.672 1.00 0.00 C ATOM 1031 NH1 ARG A 71 -2.221 -6.624 12.095 1.00 0.00 N ATOM 1032 NH2 ARG A 71 -3.694 -7.604 13.556 1.00 0.00 N ATOM 0 H ARG A 71 -3.644 -5.000 7.405 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.419 -7.732 7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.577 -7.014 10.307 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.561 -5.908 9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.309 -4.242 9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.500 -5.366 9.934 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.059 -4.353 11.447 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.705 -3.799 11.682 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.236 -5.792 12.828 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.002 -5.896 11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.522 -7.328 12.332 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.611 -7.632 14.002 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.992 -8.306 13.790 1.00 0.00 H new ATOM 1046 N GLN A 72 -6.458 -6.506 8.156 1.00 0.00 N ATOM 1047 CA GLN A 72 -7.867 -6.864 8.276 1.00 0.00 C ATOM 1048 C GLN A 72 -8.283 -7.817 7.160 1.00 0.00 C ATOM 1049 O GLN A 72 -8.687 -8.951 7.417 1.00 0.00 O ATOM 1050 CB GLN A 72 -8.739 -5.608 8.242 1.00 0.00 C ATOM 1051 CG GLN A 72 -8.454 -4.639 9.377 1.00 0.00 C ATOM 1052 CD GLN A 72 -9.593 -3.668 9.616 1.00 0.00 C ATOM 1053 OE1 GLN A 72 -10.225 -3.190 8.673 1.00 0.00 O ATOM 1054 NE2 GLN A 72 -9.863 -3.371 10.882 1.00 0.00 N ATOM 0 H GLN A 72 -6.290 -5.535 7.893 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.008 -7.369 9.232 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.587 -5.096 7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.788 -5.903 8.282 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.264 -5.202 10.291 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.546 -4.080 9.152 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.314 -3.790 11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.619 -2.724 11.104 1.00 0.00 H new ATOM 1063 N MET A 73 -8.182 -7.349 5.920 1.00 0.00 N ATOM 1064 CA MET A 73 -8.547 -8.160 4.765 1.00 0.00 C ATOM 1065 C MET A 73 -7.788 -9.483 4.768 1.00 0.00 C ATOM 1066 O MET A 73 -8.340 -10.528 4.422 1.00 0.00 O ATOM 1067 CB MET A 73 -8.263 -7.398 3.469 1.00 0.00 C ATOM 1068 CG MET A 73 -9.075 -6.122 3.324 1.00 0.00 C ATOM 1069 SD MET A 73 -9.031 -5.457 1.648 1.00 0.00 S ATOM 1070 CE MET A 73 -8.714 -3.725 1.980 1.00 0.00 C ATOM 0 H MET A 73 -7.850 -6.412 5.690 1.00 0.00 H new ATOM 0 HA MET A 73 -9.614 -8.374 4.825 1.00 0.00 H new ATOM 0 HB2 MET A 73 -7.202 -7.151 3.428 1.00 0.00 H new ATOM 0 HB3 MET A 73 -8.471 -8.050 2.621 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.109 -6.320 3.605 1.00 0.00 H new ATOM 0 HG3 MET A 73 -8.694 -5.373 4.018 1.00 0.00 H new ATOM 0 HE1 MET A 73 -9.252 -3.112 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 73 -9.052 -3.480 2.987 1.00 0.00 H new ATOM 0 HE3 MET A 73 -7.645 -3.529 1.899 1.00 0.00 H new ATOM 1080 N LYS A 74 -6.520 -9.431 5.160 1.00 0.00 N ATOM 1081 CA LYS A 74 -5.684 -10.625 5.208 1.00 0.00 C ATOM 1082 C LYS A 74 -6.472 -11.819 5.737 1.00 0.00 C ATOM 1083 O LYS A 74 -6.761 -11.905 6.931 1.00 0.00 O ATOM 1084 CB LYS A 74 -4.458 -10.379 6.090 1.00 0.00 C ATOM 1085 CG LYS A 74 -3.259 -9.840 5.329 1.00 0.00 C ATOM 1086 CD LYS A 74 -2.579 -10.929 4.516 1.00 0.00 C ATOM 1087 CE LYS A 74 -1.753 -10.344 3.381 1.00 0.00 C ATOM 1088 NZ LYS A 74 -1.561 -11.321 2.274 1.00 0.00 N ATOM 0 H LYS A 74 -6.048 -8.574 5.449 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.355 -10.849 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.724 -9.675 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.178 -11.313 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.579 -9.036 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.545 -9.409 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.937 -11.523 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.332 -11.604 4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.246 -9.451 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.781 -10.032 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.993 -10.884 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.068 -12.163 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.487 -11.600 1.892 1.00 0.00 H new ATOM 1102 N ARG A 75 -6.815 -12.740 4.842 1.00 0.00 N ATOM 1103 CA ARG A 75 -7.569 -13.929 5.219 1.00 0.00 C ATOM 1104 C ARG A 75 -6.809 -14.748 6.259 1.00 0.00 C ATOM 1105 O ARG A 75 -7.275 -14.928 7.383 1.00 0.00 O ATOM 1106 CB ARG A 75 -7.856 -14.789 3.987 1.00 0.00 C ATOM 1107 CG ARG A 75 -8.670 -14.074 2.921 1.00 0.00 C ATOM 1108 CD ARG A 75 -10.162 -14.277 3.130 1.00 0.00 C ATOM 1109 NE ARG A 75 -10.950 -13.713 2.037 1.00 0.00 N ATOM 1110 CZ ARG A 75 -12.179 -14.113 1.734 1.00 0.00 C ATOM 1111 NH1 ARG A 75 -12.759 -15.075 2.439 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -12.832 -13.551 0.725 1.00 0.00 N ATOM 0 H ARG A 75 -6.582 -12.685 3.850 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.514 -13.606 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.910 -15.114 3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.389 -15.687 4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -8.440 -13.009 2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.386 -14.444 1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.374 -15.343 3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.463 -13.814 4.070 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.533 -12.971 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.261 -15.509 3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.703 -15.381 2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.390 -12.810 0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.776 -13.860 0.494 1.00 0.00 H new ATOM 1126 N MET A 76 -5.637 -15.241 5.873 1.00 0.00 N ATOM 1127 CA MET A 76 -4.812 -16.040 6.772 1.00 0.00 C ATOM 1128 C MET A 76 -4.782 -15.430 8.170 1.00 0.00 C ATOM 1129 O MET A 76 -4.908 -16.137 9.169 1.00 0.00 O ATOM 1130 CB MET A 76 -3.388 -16.158 6.224 1.00 0.00 C ATOM 1131 CG MET A 76 -3.230 -17.244 5.172 1.00 0.00 C ATOM 1132 SD MET A 76 -1.532 -17.400 4.585 1.00 0.00 S ATOM 1133 CE MET A 76 -1.126 -19.048 5.158 1.00 0.00 C ATOM 0 H MET A 76 -5.237 -15.102 4.945 1.00 0.00 H new ATOM 0 HA MET A 76 -5.252 -17.035 6.838 1.00 0.00 H new ATOM 0 HB2 MET A 76 -3.093 -15.201 5.794 1.00 0.00 H new ATOM 0 HB3 MET A 76 -2.705 -16.361 7.049 1.00 0.00 H new ATOM 0 HG2 MET A 76 -3.556 -18.197 5.588 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.884 -17.025 4.328 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.103 -19.291 4.871 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.217 -19.089 6.243 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.810 -19.768 4.709 1.00 0.00 H new ATOM 1143 N ALA A 77 -4.615 -14.113 8.232 1.00 0.00 N ATOM 1144 CA ALA A 77 -4.570 -13.408 9.507 1.00 0.00 C ATOM 1145 C ALA A 77 -5.949 -12.881 9.891 1.00 0.00 C ATOM 1146 O ALA A 77 -6.080 -11.758 10.375 1.00 0.00 O ATOM 1147 CB ALA A 77 -3.566 -12.266 9.444 1.00 0.00 C ATOM 0 H ALA A 77 -4.509 -13.513 7.414 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.252 -14.115 10.274 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.543 -11.748 10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.576 -12.664 9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.859 -11.567 8.661 1.00 0.00 H new ATOM 1153 N GLN A 78 -6.972 -13.700 9.672 1.00 0.00 N ATOM 1154 CA GLN A 78 -8.341 -13.315 9.995 1.00 0.00 C ATOM 1155 C GLN A 78 -8.666 -13.631 11.451 1.00 0.00 C ATOM 1156 O GLN A 78 -8.286 -14.681 11.969 1.00 0.00 O ATOM 1157 CB GLN A 78 -9.326 -14.034 9.072 1.00 0.00 C ATOM 1158 CG GLN A 78 -9.328 -15.545 9.242 1.00 0.00 C ATOM 1159 CD GLN A 78 -10.253 -16.241 8.262 1.00 0.00 C ATOM 1160 OE1 GLN A 78 -10.907 -15.596 7.443 1.00 0.00 O ATOM 1161 NE2 GLN A 78 -10.311 -17.565 8.342 1.00 0.00 N ATOM 0 H GLN A 78 -6.879 -14.634 9.272 1.00 0.00 H new ATOM 0 HA GLN A 78 -8.434 -12.239 9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.330 -13.654 9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.083 -13.794 8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.314 -15.923 9.110 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -9.631 -15.792 10.260 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.751 -18.059 9.037 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.916 -18.088 7.709 1.00 0.00 H new ATOM 1170 N LYS A 79 -9.372 -12.716 12.106 1.00 0.00 N ATOM 1171 CA LYS A 79 -9.751 -12.897 13.502 1.00 0.00 C ATOM 1172 C LYS A 79 -11.069 -12.192 13.804 1.00 0.00 C ATOM 1173 O LYS A 79 -11.381 -11.158 13.214 1.00 0.00 O ATOM 1174 CB LYS A 79 -8.652 -12.361 14.423 1.00 0.00 C ATOM 1175 CG LYS A 79 -8.700 -12.939 15.827 1.00 0.00 C ATOM 1176 CD LYS A 79 -9.570 -12.099 16.747 1.00 0.00 C ATOM 1177 CE LYS A 79 -8.819 -10.882 17.265 1.00 0.00 C ATOM 1178 NZ LYS A 79 -7.860 -11.241 18.347 1.00 0.00 N ATOM 0 H LYS A 79 -9.693 -11.841 11.692 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.880 -13.964 13.682 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.680 -12.581 13.981 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.737 -11.276 14.483 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.087 -13.957 15.789 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.690 -12.996 16.232 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.463 -11.776 16.211 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.905 -12.706 17.588 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.280 -10.411 16.443 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.532 -10.148 17.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.430 -10.375 18.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.364 -11.743 19.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.115 -11.855 17.961 1.00 0.00 H new ATOM 1192 N ASN A 80 -11.839 -12.757 14.729 1.00 0.00 N ATOM 1193 CA ASN A 80 -13.124 -12.182 15.109 1.00 0.00 C ATOM 1194 C ASN A 80 -12.937 -11.058 16.124 1.00 0.00 C ATOM 1195 O ASN A 80 -12.389 -11.270 17.205 1.00 0.00 O ATOM 1196 CB ASN A 80 -14.038 -13.262 15.691 1.00 0.00 C ATOM 1197 CG ASN A 80 -15.341 -12.694 16.220 1.00 0.00 C ATOM 1198 OD1 ASN A 80 -16.014 -11.919 15.541 1.00 0.00 O ATOM 1199 ND2 ASN A 80 -15.701 -13.078 17.440 1.00 0.00 N ATOM 0 H ASN A 80 -11.595 -13.612 15.229 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.587 -11.767 14.214 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -14.254 -14.004 14.922 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -13.517 -13.780 16.496 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -16.567 -12.728 17.850 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.111 -13.723 17.967 1.00 0.00 H new ATOM 1206 N GLN A 81 -13.398 -9.863 15.768 1.00 0.00 N ATOM 1207 CA GLN A 81 -13.281 -8.706 16.647 1.00 0.00 C ATOM 1208 C GLN A 81 -14.066 -7.521 16.095 1.00 0.00 C ATOM 1209 O GLN A 81 -14.366 -7.463 14.902 1.00 0.00 O ATOM 1210 CB GLN A 81 -11.812 -8.321 16.827 1.00 0.00 C ATOM 1211 CG GLN A 81 -11.508 -7.693 18.177 1.00 0.00 C ATOM 1212 CD GLN A 81 -11.092 -8.716 19.216 1.00 0.00 C ATOM 1213 OE1 GLN A 81 -9.931 -8.770 19.621 1.00 0.00 O ATOM 1214 NE2 GLN A 81 -12.042 -9.534 19.655 1.00 0.00 N ATOM 0 H GLN A 81 -13.856 -9.671 14.877 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.699 -8.975 17.617 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.194 -9.210 16.702 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.529 -7.623 16.039 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.714 -6.956 18.060 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.389 -7.158 18.531 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.992 -9.454 19.292 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.822 -10.242 20.355 1.00 0.00 H new ATOM 1223 N LYS A 82 -14.397 -6.577 16.970 1.00 0.00 N ATOM 1224 CA LYS A 82 -15.146 -5.392 16.570 1.00 0.00 C ATOM 1225 C LYS A 82 -14.470 -4.691 15.396 1.00 0.00 C ATOM 1226 O LYS A 82 -13.274 -4.405 15.437 1.00 0.00 O ATOM 1227 CB LYS A 82 -15.276 -4.424 17.749 1.00 0.00 C ATOM 1228 CG LYS A 82 -16.289 -3.317 17.518 1.00 0.00 C ATOM 1229 CD LYS A 82 -16.152 -2.211 18.551 1.00 0.00 C ATOM 1230 CE LYS A 82 -16.955 -0.980 18.159 1.00 0.00 C ATOM 1231 NZ LYS A 82 -16.185 -0.079 17.257 1.00 0.00 N ATOM 0 H LYS A 82 -14.158 -6.610 17.961 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.140 -5.710 16.257 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.560 -4.985 18.639 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.302 -3.978 17.951 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.154 -2.902 16.519 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -17.297 -3.731 17.558 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.491 -2.574 19.521 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.101 -1.942 18.660 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.875 -1.289 17.664 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.244 -0.434 19.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.767 0.748 17.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.319 0.237 17.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.931 -0.592 16.389 1.00 0.00 H new ATOM 1245 N SER A 83 -15.245 -4.417 14.351 1.00 0.00 N ATOM 1246 CA SER A 83 -14.721 -3.752 13.164 1.00 0.00 C ATOM 1247 C SER A 83 -15.456 -2.440 12.907 1.00 0.00 C ATOM 1248 O SER A 83 -16.635 -2.302 13.229 1.00 0.00 O ATOM 1249 CB SER A 83 -14.845 -4.666 11.944 1.00 0.00 C ATOM 1250 OG SER A 83 -14.245 -5.927 12.188 1.00 0.00 O ATOM 0 H SER A 83 -16.238 -4.645 14.303 1.00 0.00 H new ATOM 0 HA SER A 83 -13.668 -3.531 13.338 1.00 0.00 H new ATOM 0 HB2 SER A 83 -15.897 -4.803 11.694 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.371 -4.195 11.083 1.00 0.00 H new ATOM 0 HG SER A 83 -14.339 -6.493 11.394 1.00 0.00 H new ATOM 1256 N GLY A 84 -14.748 -1.477 12.324 1.00 0.00 N ATOM 1257 CA GLY A 84 -15.348 -0.188 12.033 1.00 0.00 C ATOM 1258 C GLY A 84 -14.814 0.426 10.754 1.00 0.00 C ATOM 1259 O GLY A 84 -13.889 1.239 10.770 1.00 0.00 O ATOM 0 H GLY A 84 -13.770 -1.567 12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.429 -0.304 11.953 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.161 0.492 12.864 1.00 0.00 H new ATOM 1263 N PRO A 85 -15.401 0.032 9.615 1.00 0.00 N ATOM 1264 CA PRO A 85 -14.994 0.536 8.299 1.00 0.00 C ATOM 1265 C PRO A 85 -15.364 2.001 8.100 1.00 0.00 C ATOM 1266 O PRO A 85 -16.381 2.470 8.612 1.00 0.00 O ATOM 1267 CB PRO A 85 -15.772 -0.350 7.324 1.00 0.00 C ATOM 1268 CG PRO A 85 -16.963 -0.807 8.094 1.00 0.00 C ATOM 1269 CD PRO A 85 -16.509 -0.933 9.522 1.00 0.00 C ATOM 0 HA PRO A 85 -13.913 0.495 8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -16.066 0.205 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -15.169 -1.194 6.989 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -17.782 -0.093 8.006 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.330 -1.761 7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.310 -0.693 10.221 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.179 -1.946 9.751 1.00 0.00 H new ATOM 1277 N SER A 86 -14.533 2.720 7.352 1.00 0.00 N ATOM 1278 CA SER A 86 -14.772 4.134 7.087 1.00 0.00 C ATOM 1279 C SER A 86 -15.002 4.377 5.598 1.00 0.00 C ATOM 1280 O SER A 86 -14.055 4.571 4.836 1.00 0.00 O ATOM 1281 CB SER A 86 -13.590 4.973 7.575 1.00 0.00 C ATOM 1282 OG SER A 86 -13.917 6.352 7.599 1.00 0.00 O ATOM 0 H SER A 86 -13.688 2.347 6.919 1.00 0.00 H new ATOM 0 HA SER A 86 -15.669 4.433 7.629 1.00 0.00 H new ATOM 0 HB2 SER A 86 -13.298 4.648 8.574 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.732 4.811 6.923 1.00 0.00 H new ATOM 0 HG SER A 86 -13.145 6.866 7.916 1.00 0.00 H new ATOM 1288 N SER A 87 -16.268 4.365 5.192 1.00 0.00 N ATOM 1289 CA SER A 87 -16.624 4.579 3.794 1.00 0.00 C ATOM 1290 C SER A 87 -15.766 5.680 3.178 1.00 0.00 C ATOM 1291 O SER A 87 -15.281 5.550 2.055 1.00 0.00 O ATOM 1292 CB SER A 87 -18.105 4.943 3.673 1.00 0.00 C ATOM 1293 OG SER A 87 -18.440 6.013 4.540 1.00 0.00 O ATOM 0 H SER A 87 -17.064 4.209 5.811 1.00 0.00 H new ATOM 0 HA SER A 87 -16.440 3.652 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 87 -18.332 5.220 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 87 -18.717 4.073 3.911 1.00 0.00 H new ATOM 0 HG SER A 87 -19.391 6.228 4.442 1.00 0.00 H new ATOM 1299 N GLY A 88 -15.584 6.767 3.923 1.00 0.00 N ATOM 1300 CA GLY A 88 -14.785 7.875 3.435 1.00 0.00 C ATOM 1301 C GLY A 88 -15.135 8.259 2.010 1.00 0.00 C ATOM 1302 O GLY A 88 -14.375 8.997 1.385 1.00 0.00 O ATOM 0 H GLY A 88 -15.976 6.899 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -14.929 8.737 4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.729 7.609 3.487 1.00 0.00 H new TER 1306 GLY A 88 HETATM 1307 ZN ZN A 201 5.796 10.174 5.684 1.00 0.00 ZN HETATM 1308 ZN ZN A 401 -5.958 0.984 3.922 1.00 0.00 ZN