USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 522 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 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc= -6.45! C(o=-11!,f=-18!) USER MOD Set 1.2: A 72 ASN : amide:sc= -4.17! C(o=-11!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0355 (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 8 MET CE :methyl 165:sc= -0.0163 (180deg=-0.277) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.02) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.77 K(o=-1.8,f=-12!) USER MOD Single : A 27 SER OG : rot 117:sc= 0.392 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.622 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -8.92! C(o=-8.9!,f=-17!) USER MOD Single : A 45 LYS NZ :NH3+ -123:sc= -1.65! (180deg=-3.61!) USER MOD Single : A 48 SER OG : rot -40:sc= 0.482 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 126:sc= -0.932 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -110:sc= -0.904 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= -0.257 (180deg=-0.764) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.219 9.057 9.958 1.00 0.00 N ATOM 2 CA GLY A 1 -18.704 10.027 9.009 1.00 0.00 C ATOM 3 C GLY A 1 -17.393 9.590 8.387 1.00 0.00 C ATOM 4 O GLY A 1 -16.633 8.834 8.991 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.097 8.640 9.587 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.514 8.306 10.104 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.416 9.528 10.864 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.441 10.187 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.563 10.983 9.512 1.00 0.00 H new ATOM 8 N SER A 2 -17.127 10.066 7.174 1.00 0.00 N ATOM 9 CA SER A 2 -15.902 9.715 6.467 1.00 0.00 C ATOM 10 C SER A 2 -14.902 10.866 6.511 1.00 0.00 C ATOM 11 O SER A 2 -15.240 11.983 6.901 1.00 0.00 O ATOM 12 CB SER A 2 -16.212 9.350 5.014 1.00 0.00 C ATOM 13 OG SER A 2 -16.657 8.009 4.909 1.00 0.00 O ATOM 0 H SER A 2 -17.744 10.696 6.661 1.00 0.00 H new ATOM 0 HA SER A 2 -15.460 8.852 6.964 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.976 10.022 4.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.321 9.490 4.403 1.00 0.00 H new ATOM 0 HG SER A 2 -16.850 7.801 3.971 1.00 0.00 H new ATOM 19 N SER A 3 -13.667 10.584 6.109 1.00 0.00 N ATOM 20 CA SER A 3 -12.613 11.593 6.106 1.00 0.00 C ATOM 21 C SER A 3 -11.759 11.483 4.848 1.00 0.00 C ATOM 22 O SER A 3 -11.511 10.387 4.346 1.00 0.00 O ATOM 23 CB SER A 3 -11.734 11.447 7.349 1.00 0.00 C ATOM 24 OG SER A 3 -10.428 11.941 7.110 1.00 0.00 O ATOM 0 H SER A 3 -13.371 9.665 5.781 1.00 0.00 H new ATOM 0 HA SER A 3 -13.085 12.576 6.118 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.184 11.987 8.182 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.682 10.398 7.640 1.00 0.00 H new ATOM 0 HG SER A 3 -9.886 11.838 7.920 1.00 0.00 H new ATOM 30 N GLY A 4 -11.310 12.628 4.342 1.00 0.00 N ATOM 31 CA GLY A 4 -10.487 12.639 3.147 1.00 0.00 C ATOM 32 C GLY A 4 -9.072 12.162 3.412 1.00 0.00 C ATOM 33 O GLY A 4 -8.613 12.166 4.554 1.00 0.00 O ATOM 0 H GLY A 4 -11.502 13.548 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.945 12.004 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.456 13.650 2.740 1.00 0.00 H new ATOM 37 N SER A 5 -8.381 11.749 2.354 1.00 0.00 N ATOM 38 CA SER A 5 -7.012 11.262 2.479 1.00 0.00 C ATOM 39 C SER A 5 -6.022 12.278 1.920 1.00 0.00 C ATOM 40 O SER A 5 -6.408 13.234 1.249 1.00 0.00 O ATOM 41 CB SER A 5 -6.856 9.926 1.750 1.00 0.00 C ATOM 42 OG SER A 5 -7.219 8.842 2.588 1.00 0.00 O ATOM 0 H SER A 5 -8.746 11.742 1.402 1.00 0.00 H new ATOM 0 HA SER A 5 -6.798 11.117 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.478 9.922 0.855 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.824 9.806 1.421 1.00 0.00 H new ATOM 0 HG SER A 5 -7.112 8.000 2.098 1.00 0.00 H new ATOM 48 N SER A 6 -4.741 12.062 2.203 1.00 0.00 N ATOM 49 CA SER A 6 -3.693 12.961 1.733 1.00 0.00 C ATOM 50 C SER A 6 -3.521 12.850 0.221 1.00 0.00 C ATOM 51 O SER A 6 -3.714 11.784 -0.361 1.00 0.00 O ATOM 52 CB SER A 6 -2.369 12.645 2.433 1.00 0.00 C ATOM 53 OG SER A 6 -2.519 12.667 3.842 1.00 0.00 O ATOM 0 H SER A 6 -4.404 11.273 2.755 1.00 0.00 H new ATOM 0 HA SER A 6 -3.989 13.982 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.012 11.665 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.613 13.371 2.133 1.00 0.00 H new ATOM 0 HG SER A 6 -1.660 12.460 4.266 1.00 0.00 H new ATOM 59 N GLY A 7 -3.155 13.962 -0.410 1.00 0.00 N ATOM 60 CA GLY A 7 -2.963 13.971 -1.848 1.00 0.00 C ATOM 61 C GLY A 7 -1.502 13.868 -2.238 1.00 0.00 C ATOM 62 O GLY A 7 -1.179 13.517 -3.372 1.00 0.00 O ATOM 0 H GLY A 7 -2.988 14.857 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.513 13.141 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.383 14.888 -2.262 1.00 0.00 H new ATOM 66 N MET A 8 -0.616 14.178 -1.297 1.00 0.00 N ATOM 67 CA MET A 8 0.818 14.120 -1.549 1.00 0.00 C ATOM 68 C MET A 8 1.343 12.698 -1.378 1.00 0.00 C ATOM 69 O MET A 8 2.552 12.473 -1.337 1.00 0.00 O ATOM 70 CB MET A 8 1.564 15.067 -0.606 1.00 0.00 C ATOM 71 CG MET A 8 1.494 14.651 0.854 1.00 0.00 C ATOM 72 SD MET A 8 2.245 15.861 1.959 1.00 0.00 S ATOM 73 CE MET A 8 1.034 17.180 1.890 1.00 0.00 C ATOM 0 H MET A 8 -0.867 14.472 -0.353 1.00 0.00 H new ATOM 0 HA MET A 8 0.992 14.433 -2.579 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.609 15.120 -0.910 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.150 16.070 -0.710 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.451 14.505 1.136 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.995 13.691 0.978 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.209 17.878 2.709 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.123 17.706 0.940 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.032 16.759 1.980 1.00 0.00 H new ATOM 83 N ALA A 9 0.426 11.741 -1.278 1.00 0.00 N ATOM 84 CA ALA A 9 0.797 10.341 -1.113 1.00 0.00 C ATOM 85 C ALA A 9 1.203 9.721 -2.445 1.00 0.00 C ATOM 86 O ALA A 9 0.352 9.304 -3.233 1.00 0.00 O ATOM 87 CB ALA A 9 -0.352 9.561 -0.494 1.00 0.00 C ATOM 0 H ALA A 9 -0.579 11.910 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 9 1.656 10.294 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.061 8.517 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.594 9.982 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.226 9.624 -1.143 1.00 0.00 H new ATOM 93 N LEU A 10 2.507 9.662 -2.692 1.00 0.00 N ATOM 94 CA LEU A 10 3.028 9.092 -3.930 1.00 0.00 C ATOM 95 C LEU A 10 3.063 7.569 -3.855 1.00 0.00 C ATOM 96 O LEU A 10 3.422 6.996 -2.826 1.00 0.00 O ATOM 97 CB LEU A 10 4.429 9.634 -4.215 1.00 0.00 C ATOM 98 CG LEU A 10 4.642 11.122 -3.937 1.00 0.00 C ATOM 99 CD1 LEU A 10 6.040 11.548 -4.357 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.590 11.955 -4.654 1.00 0.00 C ATOM 0 H LEU A 10 3.224 10.002 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 10 2.362 9.382 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.144 9.067 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.665 9.443 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 10 4.540 11.290 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.174 12.610 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.779 10.974 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.171 11.365 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.758 13.011 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.659 11.783 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.598 11.668 -4.304 1.00 0.00 H new ATOM 112 N LEU A 11 2.693 6.919 -4.953 1.00 0.00 N ATOM 113 CA LEU A 11 2.686 5.461 -5.013 1.00 0.00 C ATOM 114 C LEU A 11 4.090 4.919 -5.251 1.00 0.00 C ATOM 115 O LEU A 11 4.741 5.262 -6.238 1.00 0.00 O ATOM 116 CB LEU A 11 1.746 4.981 -6.121 1.00 0.00 C ATOM 117 CG LEU A 11 1.758 3.479 -6.406 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.959 2.693 -5.120 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.467 3.058 -7.094 1.00 0.00 C ATOM 0 H LEU A 11 2.394 7.378 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 11 2.330 5.084 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.729 5.273 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.002 5.507 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 11 2.591 3.261 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.965 1.626 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.909 2.974 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.147 2.915 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.492 1.986 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.381 3.290 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.364 3.597 -8.036 1.00 0.00 H new ATOM 131 N CYS A 12 4.554 4.068 -4.341 1.00 0.00 N ATOM 132 CA CYS A 12 5.880 3.475 -4.452 1.00 0.00 C ATOM 133 C CYS A 12 5.912 2.413 -5.547 1.00 0.00 C ATOM 134 O CYS A 12 4.922 1.721 -5.784 1.00 0.00 O ATOM 135 CB CYS A 12 6.300 2.860 -3.116 1.00 0.00 C ATOM 136 SG CYS A 12 8.050 2.358 -3.046 1.00 0.00 S ATOM 0 H CYS A 12 4.029 3.774 -3.517 1.00 0.00 H new ATOM 0 HA CYS A 12 6.583 4.265 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.107 3.580 -2.320 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.675 1.989 -2.916 1.00 0.00 H new ATOM 141 N TYR A 13 7.056 2.289 -6.210 1.00 0.00 N ATOM 142 CA TYR A 13 7.217 1.312 -7.281 1.00 0.00 C ATOM 143 C TYR A 13 8.443 0.436 -7.040 1.00 0.00 C ATOM 144 O TYR A 13 9.150 0.069 -7.977 1.00 0.00 O ATOM 145 CB TYR A 13 7.340 2.020 -8.631 1.00 0.00 C ATOM 146 CG TYR A 13 6.023 2.536 -9.167 1.00 0.00 C ATOM 147 CD1 TYR A 13 5.127 1.683 -9.801 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.675 3.875 -9.040 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.924 2.150 -10.292 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.474 4.349 -9.527 1.00 0.00 C ATOM 151 CZ TYR A 13 3.601 3.483 -10.152 1.00 0.00 C ATOM 152 OH TYR A 13 2.403 3.953 -10.640 1.00 0.00 O ATOM 0 H TYR A 13 7.886 2.853 -6.025 1.00 0.00 H new ATOM 0 HA TYR A 13 6.333 0.674 -7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.034 2.854 -8.532 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.772 1.330 -9.356 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.376 0.638 -9.911 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.356 4.556 -8.552 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.239 1.474 -10.783 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.219 5.393 -9.419 1.00 0.00 H new ATOM 0 HH TYR A 13 2.330 4.913 -10.459 1.00 0.00 H new ATOM 162 N ASN A 14 8.686 0.105 -5.776 1.00 0.00 N ATOM 163 CA ASN A 14 9.826 -0.728 -5.410 1.00 0.00 C ATOM 164 C ASN A 14 9.368 -2.122 -4.993 1.00 0.00 C ATOM 165 O ASN A 14 8.530 -2.272 -4.105 1.00 0.00 O ATOM 166 CB ASN A 14 10.615 -0.077 -4.272 1.00 0.00 C ATOM 167 CG ASN A 14 11.222 1.254 -4.676 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.844 1.370 -5.732 1.00 0.00 O ATOM 169 ND2 ASN A 14 11.040 2.266 -3.836 1.00 0.00 N ATOM 0 H ASN A 14 8.109 0.401 -4.988 1.00 0.00 H new ATOM 0 HA ASN A 14 10.471 -0.822 -6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.957 0.072 -3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.408 -0.752 -3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.423 3.186 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.517 2.124 -2.972 1.00 0.00 H new ATOM 176 N ARG A 15 9.927 -3.140 -5.641 1.00 0.00 N ATOM 177 CA ARG A 15 9.576 -4.522 -5.338 1.00 0.00 C ATOM 178 C ARG A 15 9.514 -4.750 -3.830 1.00 0.00 C ATOM 179 O ARG A 15 10.472 -4.471 -3.110 1.00 0.00 O ATOM 180 CB ARG A 15 10.592 -5.478 -5.968 1.00 0.00 C ATOM 181 CG ARG A 15 10.906 -5.162 -7.421 1.00 0.00 C ATOM 182 CD ARG A 15 11.738 -6.261 -8.063 1.00 0.00 C ATOM 183 NE ARG A 15 12.507 -5.770 -9.204 1.00 0.00 N ATOM 184 CZ ARG A 15 11.958 -5.402 -10.356 1.00 0.00 C ATOM 185 NH1 ARG A 15 10.643 -5.470 -10.519 1.00 0.00 N ATOM 186 NH2 ARG A 15 12.722 -4.966 -11.348 1.00 0.00 N ATOM 0 H ARG A 15 10.624 -3.033 -6.378 1.00 0.00 H new ATOM 0 HA ARG A 15 8.590 -4.721 -5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.516 -5.445 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.210 -6.497 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.976 -5.037 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.443 -4.215 -7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.418 -6.681 -7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.082 -7.069 -8.388 1.00 0.00 H new ATOM 0 HE ARG A 15 13.521 -5.706 -9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.052 -5.805 -9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.224 -5.187 -11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.733 -4.913 -11.227 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.298 -4.684 -12.232 1.00 0.00 H new ATOM 200 N GLY A 16 8.380 -5.260 -3.360 1.00 0.00 N ATOM 201 CA GLY A 16 8.214 -5.516 -1.941 1.00 0.00 C ATOM 202 C GLY A 16 7.417 -4.430 -1.246 1.00 0.00 C ATOM 203 O GLY A 16 6.906 -4.634 -0.144 1.00 0.00 O ATOM 0 H GLY A 16 7.573 -5.500 -3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.713 -6.474 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.195 -5.599 -1.473 1.00 0.00 H new ATOM 207 N CYS A 17 7.308 -3.273 -1.889 1.00 0.00 N ATOM 208 CA CYS A 17 6.569 -2.150 -1.326 1.00 0.00 C ATOM 209 C CYS A 17 5.285 -1.896 -2.110 1.00 0.00 C ATOM 210 O CYS A 17 4.186 -2.171 -1.629 1.00 0.00 O ATOM 211 CB CYS A 17 7.438 -0.890 -1.325 1.00 0.00 C ATOM 212 SG CYS A 17 7.087 0.254 0.049 1.00 0.00 S ATOM 0 H CYS A 17 7.723 -3.088 -2.802 1.00 0.00 H new ATOM 0 HA CYS A 17 6.303 -2.400 -0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.486 -1.185 -1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.296 -0.363 -2.268 1.00 0.00 H new ATOM 217 N GLY A 18 5.432 -1.368 -3.321 1.00 0.00 N ATOM 218 CA GLY A 18 4.276 -1.086 -4.153 1.00 0.00 C ATOM 219 C GLY A 18 3.168 -0.389 -3.389 1.00 0.00 C ATOM 220 O GLY A 18 2.014 -0.397 -3.813 1.00 0.00 O ATOM 0 H GLY A 18 6.331 -1.130 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.581 -0.463 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.895 -2.019 -4.569 1.00 0.00 H new ATOM 224 N GLN A 19 3.521 0.214 -2.258 1.00 0.00 N ATOM 225 CA GLN A 19 2.547 0.917 -1.432 1.00 0.00 C ATOM 226 C GLN A 19 2.745 2.426 -1.520 1.00 0.00 C ATOM 227 O GLN A 19 3.750 2.900 -2.051 1.00 0.00 O ATOM 228 CB GLN A 19 2.656 0.460 0.024 1.00 0.00 C ATOM 229 CG GLN A 19 2.250 -0.989 0.239 1.00 0.00 C ATOM 230 CD GLN A 19 0.840 -1.125 0.782 1.00 0.00 C ATOM 231 OE1 GLN A 19 -0.004 -1.797 0.189 1.00 0.00 O ATOM 232 NE2 GLN A 19 0.578 -0.486 1.916 1.00 0.00 N ATOM 0 H GLN A 19 4.473 0.230 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 19 1.552 0.678 -1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.683 0.595 0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.029 1.100 0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.325 -1.528 -0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.949 -1.460 0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.308 0.060 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.353 -0.541 2.329 1.00 0.00 H new ATOM 241 N ARG A 20 1.780 3.177 -0.998 1.00 0.00 N ATOM 242 CA ARG A 20 1.849 4.633 -1.019 1.00 0.00 C ATOM 243 C ARG A 20 2.851 5.145 0.012 1.00 0.00 C ATOM 244 O ARG A 20 3.392 4.373 0.804 1.00 0.00 O ATOM 245 CB ARG A 20 0.470 5.234 -0.747 1.00 0.00 C ATOM 246 CG ARG A 20 -0.542 4.960 -1.849 1.00 0.00 C ATOM 247 CD ARG A 20 -0.397 5.947 -2.997 1.00 0.00 C ATOM 248 NE ARG A 20 -1.641 6.101 -3.746 1.00 0.00 N ATOM 249 CZ ARG A 20 -1.731 6.774 -4.888 1.00 0.00 C ATOM 250 NH1 ARG A 20 -0.658 7.351 -5.409 1.00 0.00 N ATOM 251 NH2 ARG A 20 -2.900 6.870 -5.511 1.00 0.00 N ATOM 0 H ARG A 20 0.941 2.801 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 20 2.183 4.941 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.088 4.835 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.572 6.312 -0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.409 3.944 -2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.551 5.020 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.087 6.916 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.391 5.608 -3.669 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.486 5.669 -3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.241 7.279 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.731 7.867 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.728 6.427 -5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.970 7.387 -6.388 1.00 0.00 H new ATOM 265 N PHE A 21 3.094 6.452 -0.004 1.00 0.00 N ATOM 266 CA PHE A 21 4.030 7.067 0.928 1.00 0.00 C ATOM 267 C PHE A 21 3.990 8.588 0.816 1.00 0.00 C ATOM 268 O PHE A 21 3.476 9.136 -0.160 1.00 0.00 O ATOM 269 CB PHE A 21 5.450 6.564 0.663 1.00 0.00 C ATOM 270 CG PHE A 21 6.051 7.102 -0.604 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.802 6.486 -1.820 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.865 8.224 -0.579 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.354 6.979 -2.987 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.418 8.722 -1.743 1.00 0.00 C ATOM 275 CZ PHE A 21 7.162 8.099 -2.949 1.00 0.00 C ATOM 0 H PHE A 21 2.655 7.105 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 21 3.734 6.786 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.087 6.840 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.438 5.475 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.170 5.611 -1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.069 8.714 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.154 6.489 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.050 9.597 -1.710 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.593 8.487 -3.860 1.00 0.00 H new ATOM 285 N ASP A 22 4.533 9.265 1.822 1.00 0.00 N ATOM 286 CA ASP A 22 4.559 10.723 1.837 1.00 0.00 C ATOM 287 C ASP A 22 5.983 11.242 1.670 1.00 0.00 C ATOM 288 O ASP A 22 6.891 10.890 2.423 1.00 0.00 O ATOM 289 CB ASP A 22 3.960 11.251 3.142 1.00 0.00 C ATOM 290 CG ASP A 22 2.519 10.822 3.333 1.00 0.00 C ATOM 291 OD1 ASP A 22 1.668 11.216 2.507 1.00 0.00 O ATOM 292 OD2 ASP A 22 2.241 10.092 4.307 1.00 0.00 O ATOM 0 H ASP A 22 4.961 8.827 2.638 1.00 0.00 H new ATOM 0 HA ASP A 22 3.960 11.082 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.556 10.895 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.016 12.340 3.150 1.00 0.00 H new ATOM 297 N PRO A 23 6.186 12.099 0.658 1.00 0.00 N ATOM 298 CA PRO A 23 7.497 12.685 0.367 1.00 0.00 C ATOM 299 C PRO A 23 7.934 13.686 1.432 1.00 0.00 C ATOM 300 O PRO A 23 9.122 13.816 1.724 1.00 0.00 O ATOM 301 CB PRO A 23 7.281 13.391 -0.974 1.00 0.00 C ATOM 302 CG PRO A 23 5.823 13.689 -1.014 1.00 0.00 C ATOM 303 CD PRO A 23 5.149 12.563 -0.280 1.00 0.00 C ATOM 0 HA PRO A 23 8.284 11.931 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.874 14.303 -1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.578 12.756 -1.808 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.608 14.647 -0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.466 13.754 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.256 12.903 0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.838 11.770 -0.960 1.00 0.00 H new ATOM 311 N GLU A 24 6.965 14.391 2.008 1.00 0.00 N ATOM 312 CA GLU A 24 7.252 15.380 3.040 1.00 0.00 C ATOM 313 C GLU A 24 7.934 14.731 4.241 1.00 0.00 C ATOM 314 O GLU A 24 8.432 15.419 5.134 1.00 0.00 O ATOM 315 CB GLU A 24 5.962 16.073 3.485 1.00 0.00 C ATOM 316 CG GLU A 24 5.233 15.345 4.602 1.00 0.00 C ATOM 317 CD GLU A 24 4.073 16.145 5.160 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.540 17.007 4.431 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.698 15.909 6.328 1.00 0.00 O ATOM 0 H GLU A 24 5.976 14.296 1.778 1.00 0.00 H new ATOM 0 HA GLU A 24 7.929 16.123 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.199 17.084 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.295 16.166 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.864 14.390 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.936 15.123 5.405 1.00 0.00 H new ATOM 326 N THR A 25 7.951 13.402 4.258 1.00 0.00 N ATOM 327 CA THR A 25 8.570 12.660 5.349 1.00 0.00 C ATOM 328 C THR A 25 9.533 11.603 4.818 1.00 0.00 C ATOM 329 O THR A 25 10.517 11.262 5.473 1.00 0.00 O ATOM 330 CB THR A 25 7.511 11.975 6.234 1.00 0.00 C ATOM 331 OG1 THR A 25 8.028 10.744 6.751 1.00 0.00 O ATOM 332 CG2 THR A 25 6.238 11.707 5.445 1.00 0.00 C ATOM 0 H THR A 25 7.543 12.817 3.528 1.00 0.00 H new ATOM 0 HA THR A 25 9.123 13.383 5.950 1.00 0.00 H new ATOM 0 HB THR A 25 7.272 12.643 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.350 10.315 7.314 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.505 11.223 6.090 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.832 12.650 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.464 11.056 4.600 1.00 0.00 H new ATOM 340 N ASN A 26 9.242 11.089 3.628 1.00 0.00 N ATOM 341 CA ASN A 26 10.083 10.070 3.009 1.00 0.00 C ATOM 342 C ASN A 26 11.557 10.335 3.295 1.00 0.00 C ATOM 343 O ASN A 26 12.014 11.477 3.248 1.00 0.00 O ATOM 344 CB ASN A 26 9.844 10.031 1.498 1.00 0.00 C ATOM 345 CG ASN A 26 10.606 8.908 0.822 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.354 8.174 1.467 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.418 8.769 -0.486 1.00 0.00 N ATOM 0 H ASN A 26 8.431 11.361 3.073 1.00 0.00 H new ATOM 0 HA ASN A 26 9.816 9.104 3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.778 9.911 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.142 10.984 1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.903 8.031 -0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.788 9.401 -0.981 1.00 0.00 H new ATOM 354 N SER A 27 12.297 9.271 3.592 1.00 0.00 N ATOM 355 CA SER A 27 13.720 9.388 3.889 1.00 0.00 C ATOM 356 C SER A 27 14.509 8.269 3.217 1.00 0.00 C ATOM 357 O SER A 27 13.948 7.448 2.491 1.00 0.00 O ATOM 358 CB SER A 27 13.951 9.354 5.401 1.00 0.00 C ATOM 359 OG SER A 27 14.672 8.194 5.781 1.00 0.00 O ATOM 0 H SER A 27 11.935 8.318 3.633 1.00 0.00 H new ATOM 0 HA SER A 27 14.071 10.342 3.496 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.500 10.244 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.992 9.376 5.919 1.00 0.00 H new ATOM 0 HG SER A 27 15.533 8.456 6.168 1.00 0.00 H new ATOM 365 N ASP A 28 15.814 8.243 3.464 1.00 0.00 N ATOM 366 CA ASP A 28 16.682 7.225 2.884 1.00 0.00 C ATOM 367 C ASP A 28 16.502 5.888 3.596 1.00 0.00 C ATOM 368 O ASP A 28 17.229 4.930 3.332 1.00 0.00 O ATOM 369 CB ASP A 28 18.146 7.666 2.964 1.00 0.00 C ATOM 370 CG ASP A 28 19.108 6.499 2.864 1.00 0.00 C ATOM 371 OD1 ASP A 28 19.222 5.917 1.765 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.745 6.166 3.885 1.00 0.00 O ATOM 0 H ASP A 28 16.294 8.915 4.062 1.00 0.00 H new ATOM 0 HA ASP A 28 16.405 7.100 1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.354 8.374 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.313 8.192 3.904 1.00 0.00 H new ATOM 377 N ASP A 29 15.530 5.831 4.500 1.00 0.00 N ATOM 378 CA ASP A 29 15.254 4.611 5.250 1.00 0.00 C ATOM 379 C ASP A 29 13.780 4.529 5.631 1.00 0.00 C ATOM 380 O ASP A 29 13.417 3.894 6.620 1.00 0.00 O ATOM 381 CB ASP A 29 16.122 4.553 6.508 1.00 0.00 C ATOM 382 CG ASP A 29 17.205 5.615 6.514 1.00 0.00 C ATOM 383 OD1 ASP A 29 16.886 6.785 6.817 1.00 0.00 O ATOM 384 OD2 ASP A 29 18.368 5.277 6.217 1.00 0.00 O ATOM 0 H ASP A 29 14.920 6.615 4.731 1.00 0.00 H new ATOM 0 HA ASP A 29 15.494 3.760 4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.490 4.677 7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.583 3.568 6.583 1.00 0.00 H new ATOM 389 N ALA A 30 12.931 5.178 4.838 1.00 0.00 N ATOM 390 CA ALA A 30 11.497 5.178 5.092 1.00 0.00 C ATOM 391 C ALA A 30 10.775 4.207 4.163 1.00 0.00 C ATOM 392 O ALA A 30 9.587 3.933 4.336 1.00 0.00 O ATOM 393 CB ALA A 30 10.932 6.582 4.931 1.00 0.00 C ATOM 0 H ALA A 30 13.213 5.710 4.015 1.00 0.00 H new ATOM 0 HA ALA A 30 11.335 4.848 6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.859 6.567 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.418 7.253 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.113 6.933 3.915 1.00 0.00 H new ATOM 399 N CYS A 31 11.500 3.688 3.178 1.00 0.00 N ATOM 400 CA CYS A 31 10.931 2.748 2.221 1.00 0.00 C ATOM 401 C CYS A 31 11.632 1.395 2.304 1.00 0.00 C ATOM 402 O CYS A 31 12.858 1.312 2.225 1.00 0.00 O ATOM 403 CB CYS A 31 11.038 3.305 0.800 1.00 0.00 C ATOM 404 SG CYS A 31 10.524 2.136 -0.498 1.00 0.00 S ATOM 0 H CYS A 31 12.485 3.903 3.022 1.00 0.00 H new ATOM 0 HA CYS A 31 9.879 2.608 2.470 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.426 4.204 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.070 3.605 0.616 1.00 0.00 H new ATOM 409 N THR A 32 10.844 0.335 2.463 1.00 0.00 N ATOM 410 CA THR A 32 11.389 -1.013 2.557 1.00 0.00 C ATOM 411 C THR A 32 11.045 -1.833 1.319 1.00 0.00 C ATOM 412 O THR A 32 9.892 -2.216 1.117 1.00 0.00 O ATOM 413 CB THR A 32 10.862 -1.745 3.806 1.00 0.00 C ATOM 414 OG1 THR A 32 10.812 -0.844 4.917 1.00 0.00 O ATOM 415 CG2 THR A 32 11.748 -2.933 4.150 1.00 0.00 C ATOM 0 H THR A 32 9.827 0.385 2.529 1.00 0.00 H new ATOM 0 HA THR A 32 12.472 -0.912 2.633 1.00 0.00 H new ATOM 0 HB THR A 32 9.858 -2.110 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.474 -1.316 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.357 -3.435 5.035 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.761 -3.631 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.762 -2.585 4.348 1.00 0.00 H new ATOM 423 N TYR A 33 12.049 -2.100 0.493 1.00 0.00 N ATOM 424 CA TYR A 33 11.852 -2.873 -0.727 1.00 0.00 C ATOM 425 C TYR A 33 12.953 -3.915 -0.896 1.00 0.00 C ATOM 426 O TYR A 33 13.811 -4.077 -0.027 1.00 0.00 O ATOM 427 CB TYR A 33 11.820 -1.946 -1.944 1.00 0.00 C ATOM 428 CG TYR A 33 13.111 -1.187 -2.161 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.392 -0.036 -1.436 1.00 0.00 C ATOM 430 CD2 TYR A 33 14.046 -1.621 -3.091 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.568 0.661 -1.631 1.00 0.00 C ATOM 432 CE2 TYR A 33 15.226 -0.931 -3.292 1.00 0.00 C ATOM 433 CZ TYR A 33 15.483 0.210 -2.559 1.00 0.00 C ATOM 434 OH TYR A 33 16.656 0.901 -2.757 1.00 0.00 O ATOM 0 H TYR A 33 13.009 -1.792 0.646 1.00 0.00 H new ATOM 0 HA TYR A 33 10.896 -3.391 -0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.601 -2.536 -2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 33 11.004 -1.233 -1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.679 0.320 -0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.848 -2.513 -3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.770 1.555 -1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.943 -1.283 -4.019 1.00 0.00 H new ATOM 0 HH TYR A 33 17.190 0.450 -3.444 1.00 0.00 H new ATOM 444 N HIS A 34 12.924 -4.620 -2.023 1.00 0.00 N ATOM 445 CA HIS A 34 13.920 -5.646 -2.308 1.00 0.00 C ATOM 446 C HIS A 34 14.733 -5.285 -3.548 1.00 0.00 C ATOM 447 O HIS A 34 14.243 -5.331 -4.677 1.00 0.00 O ATOM 448 CB HIS A 34 13.243 -7.003 -2.506 1.00 0.00 C ATOM 449 CG HIS A 34 12.660 -7.569 -1.248 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.425 -7.955 -0.169 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.373 -7.813 -0.901 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.637 -8.412 0.787 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.387 -8.337 0.368 1.00 0.00 N ATOM 0 H HIS A 34 12.222 -4.499 -2.753 1.00 0.00 H new ATOM 0 HA HIS A 34 14.597 -5.706 -1.456 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.452 -6.901 -3.249 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.970 -7.708 -2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.499 -7.630 -1.509 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.960 -8.784 1.748 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.565 -8.622 0.901 1.00 0.00 H new ATOM 461 N PRO A 35 16.006 -4.916 -3.336 1.00 0.00 N ATOM 462 CA PRO A 35 16.913 -4.540 -4.424 1.00 0.00 C ATOM 463 C PRO A 35 17.300 -5.730 -5.294 1.00 0.00 C ATOM 464 O PRO A 35 18.098 -5.601 -6.221 1.00 0.00 O ATOM 465 CB PRO A 35 18.139 -3.992 -3.690 1.00 0.00 C ATOM 466 CG PRO A 35 18.110 -4.655 -2.356 1.00 0.00 C ATOM 467 CD PRO A 35 16.656 -4.839 -2.017 1.00 0.00 C ATOM 0 HA PRO A 35 16.455 -3.826 -5.108 1.00 0.00 H new ATOM 0 HB2 PRO A 35 19.059 -4.224 -4.227 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.091 -2.907 -3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.628 -5.613 -2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.612 -4.044 -1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.491 -5.745 -1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.272 -4.006 -1.428 1.00 0.00 H new ATOM 475 N GLY A 36 16.729 -6.892 -4.989 1.00 0.00 N ATOM 476 CA GLY A 36 17.027 -8.089 -5.753 1.00 0.00 C ATOM 477 C GLY A 36 15.908 -8.462 -6.706 1.00 0.00 C ATOM 478 O GLY A 36 15.167 -7.597 -7.175 1.00 0.00 O ATOM 0 H GLY A 36 16.065 -7.025 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.946 -7.936 -6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.208 -8.918 -5.068 1.00 0.00 H new ATOM 482 N VAL A 37 15.786 -9.753 -6.996 1.00 0.00 N ATOM 483 CA VAL A 37 14.750 -10.239 -7.900 1.00 0.00 C ATOM 484 C VAL A 37 14.080 -11.490 -7.345 1.00 0.00 C ATOM 485 O VAL A 37 14.656 -12.234 -6.552 1.00 0.00 O ATOM 486 CB VAL A 37 15.325 -10.553 -9.294 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.252 -9.327 -10.191 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.757 -11.056 -9.179 1.00 0.00 C ATOM 0 H VAL A 37 16.392 -10.482 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 37 14.010 -9.444 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 37 14.723 -11.341 -9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.663 -9.568 -11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.213 -9.017 -10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.828 -8.516 -9.746 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.147 -11.273 -10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.374 -10.292 -8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.777 -11.964 -8.576 1.00 0.00 H new ATOM 498 N PRO A 38 12.830 -11.731 -7.772 1.00 0.00 N ATOM 499 CA PRO A 38 12.053 -12.893 -7.331 1.00 0.00 C ATOM 500 C PRO A 38 12.601 -14.202 -7.890 1.00 0.00 C ATOM 501 O PRO A 38 12.625 -14.409 -9.103 1.00 0.00 O ATOM 502 CB PRO A 38 10.656 -12.617 -7.889 1.00 0.00 C ATOM 503 CG PRO A 38 10.885 -11.728 -9.063 1.00 0.00 C ATOM 504 CD PRO A 38 12.081 -10.887 -8.718 1.00 0.00 C ATOM 0 HA PRO A 38 12.078 -13.014 -6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.158 -13.541 -8.183 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.021 -12.135 -7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.066 -12.312 -9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.012 -11.104 -9.256 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.674 -10.650 -9.601 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.789 -9.939 -8.266 1.00 0.00 H new ATOM 512 N VAL A 39 13.039 -15.084 -6.997 1.00 0.00 N ATOM 513 CA VAL A 39 13.585 -16.374 -7.400 1.00 0.00 C ATOM 514 C VAL A 39 12.736 -17.521 -6.866 1.00 0.00 C ATOM 515 O VAL A 39 12.056 -17.384 -5.849 1.00 0.00 O ATOM 516 CB VAL A 39 15.033 -16.549 -6.908 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.207 -15.934 -5.527 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.417 -18.021 -6.896 1.00 0.00 C ATOM 0 H VAL A 39 13.026 -14.928 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 39 13.575 -16.395 -8.490 1.00 0.00 H new ATOM 0 HB VAL A 39 15.697 -16.028 -7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.237 -16.068 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 39 14.975 -14.870 -5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.534 -16.423 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.444 -18.126 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.748 -18.566 -6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.334 -18.427 -7.904 1.00 0.00 H new ATOM 528 N PHE A 40 12.780 -18.655 -7.558 1.00 0.00 N ATOM 529 CA PHE A 40 12.014 -19.828 -7.154 1.00 0.00 C ATOM 530 C PHE A 40 12.855 -21.095 -7.272 1.00 0.00 C ATOM 531 O PHE A 40 12.958 -21.689 -8.346 1.00 0.00 O ATOM 532 CB PHE A 40 10.751 -19.959 -8.009 1.00 0.00 C ATOM 533 CG PHE A 40 10.220 -18.643 -8.499 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.781 -17.681 -7.603 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.158 -18.367 -9.856 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.292 -16.469 -8.050 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.670 -17.156 -10.309 1.00 0.00 C ATOM 538 CZ PHE A 40 9.235 -16.206 -9.405 1.00 0.00 C ATOM 0 H PHE A 40 13.338 -18.786 -8.401 1.00 0.00 H new ATOM 0 HA PHE A 40 11.726 -19.700 -6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.967 -20.597 -8.866 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.978 -20.459 -7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.822 -17.881 -6.543 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.495 -19.107 -10.567 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.955 -15.728 -7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.629 -16.952 -11.369 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.851 -15.260 -9.757 1.00 0.00 H new ATOM 548 N HIS A 41 13.458 -21.504 -6.159 1.00 0.00 N ATOM 549 CA HIS A 41 14.292 -22.700 -6.137 1.00 0.00 C ATOM 550 C HIS A 41 13.785 -23.697 -5.100 1.00 0.00 C ATOM 551 O HIS A 41 13.518 -23.334 -3.954 1.00 0.00 O ATOM 552 CB HIS A 41 15.745 -22.329 -5.837 1.00 0.00 C ATOM 553 CG HIS A 41 15.917 -21.569 -4.558 1.00 0.00 C ATOM 554 ND1 HIS A 41 16.745 -21.989 -3.538 1.00 0.00 N ATOM 555 CD2 HIS A 41 15.362 -20.409 -4.136 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.691 -21.120 -2.544 1.00 0.00 C ATOM 557 NE2 HIS A 41 15.859 -20.151 -2.882 1.00 0.00 N ATOM 0 H HIS A 41 13.384 -21.025 -5.262 1.00 0.00 H new ATOM 0 HA HIS A 41 14.240 -23.167 -7.120 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.342 -23.240 -5.792 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.136 -21.732 -6.660 1.00 0.00 H new ATOM 0 HD1 HIS A 41 17.311 -22.838 -3.549 1.00 0.00 H new ATOM 0 HD2 HIS A 41 14.659 -19.799 -4.684 1.00 0.00 H new ATOM 0 HE1 HIS A 41 17.235 -21.190 -1.613 1.00 0.00 H new ATOM 565 N ASP A 42 13.650 -24.953 -5.510 1.00 0.00 N ATOM 566 CA ASP A 42 13.174 -26.003 -4.616 1.00 0.00 C ATOM 567 C ASP A 42 11.851 -25.607 -3.970 1.00 0.00 C ATOM 568 O ASP A 42 11.632 -25.845 -2.782 1.00 0.00 O ATOM 569 CB ASP A 42 14.217 -26.294 -3.536 1.00 0.00 C ATOM 570 CG ASP A 42 15.597 -26.540 -4.114 1.00 0.00 C ATOM 571 OD1 ASP A 42 15.686 -26.903 -5.306 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.589 -26.370 -3.374 1.00 0.00 O ATOM 0 H ASP A 42 13.863 -25.269 -6.456 1.00 0.00 H new ATOM 0 HA ASP A 42 13.013 -26.905 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.261 -25.454 -2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.906 -27.166 -2.961 1.00 0.00 H new ATOM 577 N ALA A 43 10.970 -25.001 -4.760 1.00 0.00 N ATOM 578 CA ALA A 43 9.668 -24.573 -4.265 1.00 0.00 C ATOM 579 C ALA A 43 9.810 -23.447 -3.246 1.00 0.00 C ATOM 580 O ALA A 43 8.847 -23.082 -2.570 1.00 0.00 O ATOM 581 CB ALA A 43 8.924 -25.750 -3.653 1.00 0.00 C ATOM 0 H ALA A 43 11.135 -24.796 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 43 9.093 -24.192 -5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.953 -25.416 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.781 -26.523 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.504 -26.156 -2.824 1.00 0.00 H new ATOM 587 N LEU A 44 11.017 -22.902 -3.139 1.00 0.00 N ATOM 588 CA LEU A 44 11.286 -21.817 -2.202 1.00 0.00 C ATOM 589 C LEU A 44 11.356 -20.476 -2.925 1.00 0.00 C ATOM 590 O LEU A 44 12.405 -20.095 -3.448 1.00 0.00 O ATOM 591 CB LEU A 44 12.595 -22.076 -1.454 1.00 0.00 C ATOM 592 CG LEU A 44 12.854 -23.523 -1.035 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.286 -23.691 -0.552 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.872 -23.950 0.045 1.00 0.00 C ATOM 0 H LEU A 44 11.825 -23.194 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 44 10.466 -21.778 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.421 -21.748 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.609 -21.452 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 44 12.708 -24.164 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.452 -24.727 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.974 -23.427 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.460 -23.039 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.072 -24.983 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.985 -23.304 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.854 -23.869 -0.336 1.00 0.00 H new ATOM 606 N LYS A 45 10.236 -19.764 -2.951 1.00 0.00 N ATOM 607 CA LYS A 45 10.170 -18.463 -3.607 1.00 0.00 C ATOM 608 C LYS A 45 10.724 -17.368 -2.701 1.00 0.00 C ATOM 609 O LYS A 45 10.215 -17.140 -1.605 1.00 0.00 O ATOM 610 CB LYS A 45 8.726 -18.137 -3.994 1.00 0.00 C ATOM 611 CG LYS A 45 8.018 -19.271 -4.716 1.00 0.00 C ATOM 612 CD LYS A 45 6.507 -19.138 -4.617 1.00 0.00 C ATOM 613 CE LYS A 45 5.825 -20.497 -4.654 1.00 0.00 C ATOM 614 NZ LYS A 45 5.667 -21.076 -3.290 1.00 0.00 N ATOM 0 H LYS A 45 9.360 -20.066 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 45 10.781 -18.507 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.166 -17.885 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.720 -17.253 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.316 -19.278 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.329 -20.225 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.246 -18.623 -3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.140 -18.523 -5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.846 -20.399 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.408 -21.179 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.128 -22.008 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.107 -20.444 -2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.655 -21.181 -3.073 1.00 0.00 H new ATOM 628 N GLY A 46 11.769 -16.693 -3.169 1.00 0.00 N ATOM 629 CA GLY A 46 12.375 -15.629 -2.389 1.00 0.00 C ATOM 630 C GLY A 46 13.030 -14.573 -3.258 1.00 0.00 C ATOM 631 O GLY A 46 12.591 -14.326 -4.381 1.00 0.00 O ATOM 0 H GLY A 46 12.207 -16.864 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.613 -15.161 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.120 -16.055 -1.717 1.00 0.00 H new ATOM 635 N TRP A 47 14.080 -13.950 -2.737 1.00 0.00 N ATOM 636 CA TRP A 47 14.795 -12.913 -3.473 1.00 0.00 C ATOM 637 C TRP A 47 16.303 -13.073 -3.310 1.00 0.00 C ATOM 638 O TRP A 47 16.779 -13.533 -2.273 1.00 0.00 O ATOM 639 CB TRP A 47 14.362 -11.527 -2.993 1.00 0.00 C ATOM 640 CG TRP A 47 12.882 -11.304 -3.080 1.00 0.00 C ATOM 641 CD1 TRP A 47 11.929 -11.794 -2.233 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.188 -10.537 -4.068 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.684 -11.377 -2.636 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.814 -10.604 -3.759 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.590 -9.798 -5.183 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.847 -9.961 -4.526 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.628 -9.160 -5.944 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.271 -9.244 -5.612 1.00 0.00 C ATOM 0 H TRP A 47 14.455 -14.144 -1.809 1.00 0.00 H new ATOM 0 HA TRP A 47 14.549 -13.016 -4.530 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.683 -11.391 -1.960 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.872 -10.769 -3.587 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.125 -12.417 -1.373 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.804 -11.606 -2.173 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.635 -9.726 -5.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.799 -10.026 -4.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.929 -8.587 -6.809 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.544 -8.733 -6.225 1.00 0.00 H new ATOM 659 N SER A 48 17.049 -12.689 -4.341 1.00 0.00 N ATOM 660 CA SER A 48 18.503 -12.793 -4.313 1.00 0.00 C ATOM 661 C SER A 48 19.115 -11.641 -3.522 1.00 0.00 C ATOM 662 O SER A 48 20.329 -11.436 -3.539 1.00 0.00 O ATOM 663 CB SER A 48 19.062 -12.802 -5.737 1.00 0.00 C ATOM 664 OG SER A 48 20.437 -13.150 -5.744 1.00 0.00 O ATOM 0 H SER A 48 16.670 -12.303 -5.206 1.00 0.00 H new ATOM 0 HA SER A 48 18.766 -13.729 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.501 -13.511 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.930 -11.819 -6.189 1.00 0.00 H new ATOM 0 HG SER A 48 20.887 -12.722 -4.986 1.00 0.00 H new ATOM 670 N CYS A 49 18.265 -10.891 -2.828 1.00 0.00 N ATOM 671 CA CYS A 49 18.719 -9.759 -2.029 1.00 0.00 C ATOM 672 C CYS A 49 18.921 -10.167 -0.573 1.00 0.00 C ATOM 673 O CYS A 49 19.944 -9.849 0.037 1.00 0.00 O ATOM 674 CB CYS A 49 17.712 -8.611 -2.114 1.00 0.00 C ATOM 675 SG CYS A 49 15.976 -9.133 -1.938 1.00 0.00 S ATOM 0 H CYS A 49 17.257 -11.047 -2.803 1.00 0.00 H new ATOM 0 HA CYS A 49 19.676 -9.424 -2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.942 -7.882 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.833 -8.105 -3.072 1.00 0.00 H new ATOM 680 N CYS A 50 17.941 -10.874 -0.021 1.00 0.00 N ATOM 681 CA CYS A 50 18.010 -11.326 1.364 1.00 0.00 C ATOM 682 C CYS A 50 18.056 -12.849 1.436 1.00 0.00 C ATOM 683 O CYS A 50 18.022 -13.533 0.413 1.00 0.00 O ATOM 684 CB CYS A 50 16.806 -10.804 2.152 1.00 0.00 C ATOM 685 SG CYS A 50 15.233 -10.865 1.236 1.00 0.00 S ATOM 0 H CYS A 50 17.089 -11.147 -0.511 1.00 0.00 H new ATOM 0 HA CYS A 50 18.925 -10.930 1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.704 -11.387 3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.000 -9.774 2.451 1.00 0.00 H new ATOM 690 N LYS A 51 18.135 -13.376 2.654 1.00 0.00 N ATOM 691 CA LYS A 51 18.185 -14.818 2.863 1.00 0.00 C ATOM 692 C LYS A 51 16.788 -15.383 3.098 1.00 0.00 C ATOM 693 O LYS A 51 16.606 -16.598 3.183 1.00 0.00 O ATOM 694 CB LYS A 51 19.090 -15.150 4.053 1.00 0.00 C ATOM 695 CG LYS A 51 20.405 -14.392 4.048 1.00 0.00 C ATOM 696 CD LYS A 51 21.438 -15.062 4.938 1.00 0.00 C ATOM 697 CE LYS A 51 22.131 -16.212 4.221 1.00 0.00 C ATOM 698 NZ LYS A 51 23.217 -16.806 5.047 1.00 0.00 N ATOM 0 H LYS A 51 18.166 -12.825 3.512 1.00 0.00 H new ATOM 0 HA LYS A 51 18.595 -15.277 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.556 -14.928 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.297 -16.220 4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.787 -14.330 3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.238 -13.370 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.180 -14.328 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.955 -15.434 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.399 -16.981 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.546 -15.855 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.664 -17.586 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.929 -16.078 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.818 -17.170 5.936 1.00 0.00 H new ATOM 712 N ARG A 52 15.806 -14.495 3.201 1.00 0.00 N ATOM 713 CA ARG A 52 14.425 -14.906 3.426 1.00 0.00 C ATOM 714 C ARG A 52 13.950 -15.842 2.319 1.00 0.00 C ATOM 715 O ARG A 52 14.188 -15.593 1.137 1.00 0.00 O ATOM 716 CB ARG A 52 13.511 -13.681 3.500 1.00 0.00 C ATOM 717 CG ARG A 52 12.033 -14.027 3.565 1.00 0.00 C ATOM 718 CD ARG A 52 11.660 -14.633 4.909 1.00 0.00 C ATOM 719 NE ARG A 52 10.428 -15.413 4.835 1.00 0.00 N ATOM 720 CZ ARG A 52 9.768 -15.848 5.902 1.00 0.00 C ATOM 721 NH1 ARG A 52 10.222 -15.581 7.120 1.00 0.00 N ATOM 722 NH2 ARG A 52 8.655 -16.552 5.754 1.00 0.00 N ATOM 0 H ARG A 52 15.940 -13.486 3.132 1.00 0.00 H new ATOM 0 HA ARG A 52 14.381 -15.441 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.777 -13.093 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.690 -13.051 2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.440 -13.129 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.787 -14.729 2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.472 -15.271 5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.542 -13.838 5.645 1.00 0.00 H new ATOM 0 HE ARG A 52 10.054 -15.636 3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.079 -15.041 7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.714 -15.916 7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.304 -16.761 4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.149 -16.885 6.575 1.00 0.00 H new ATOM 736 N ARG A 53 13.275 -16.918 2.710 1.00 0.00 N ATOM 737 CA ARG A 53 12.768 -17.892 1.751 1.00 0.00 C ATOM 738 C ARG A 53 11.546 -18.617 2.308 1.00 0.00 C ATOM 739 O ARG A 53 11.567 -19.122 3.431 1.00 0.00 O ATOM 740 CB ARG A 53 13.858 -18.906 1.396 1.00 0.00 C ATOM 741 CG ARG A 53 13.760 -19.433 -0.026 1.00 0.00 C ATOM 742 CD ARG A 53 14.479 -18.522 -1.009 1.00 0.00 C ATOM 743 NE ARG A 53 15.929 -18.598 -0.864 1.00 0.00 N ATOM 744 CZ ARG A 53 16.781 -17.920 -1.626 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.327 -17.118 -2.580 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.087 -18.042 -1.433 1.00 0.00 N ATOM 0 H ARG A 53 13.067 -17.137 3.684 1.00 0.00 H new ATOM 0 HA ARG A 53 12.472 -17.356 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.834 -18.441 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.802 -19.745 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.190 -20.434 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.712 -19.522 -0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.202 -18.796 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.153 -17.493 -0.856 1.00 0.00 H new ATOM 0 HE ARG A 53 16.310 -19.205 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.323 -17.021 -2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.982 -16.598 -3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.439 -18.657 -0.699 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.740 -17.521 -2.018 1.00 0.00 H new ATOM 760 N THR A 54 10.480 -18.664 1.515 1.00 0.00 N ATOM 761 CA THR A 54 9.248 -19.325 1.928 1.00 0.00 C ATOM 762 C THR A 54 8.752 -20.283 0.852 1.00 0.00 C ATOM 763 O THR A 54 8.905 -20.026 -0.343 1.00 0.00 O ATOM 764 CB THR A 54 8.141 -18.303 2.241 1.00 0.00 C ATOM 765 OG1 THR A 54 6.908 -18.982 2.509 1.00 0.00 O ATOM 766 CG2 THR A 54 7.950 -17.337 1.081 1.00 0.00 C ATOM 0 H THR A 54 10.445 -18.252 0.583 1.00 0.00 H new ATOM 0 HA THR A 54 9.478 -19.888 2.833 1.00 0.00 H new ATOM 0 HB THR A 54 8.442 -17.734 3.121 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.557 -18.693 3.377 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.162 -16.625 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.881 -16.800 0.898 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.670 -17.893 0.187 1.00 0.00 H new ATOM 774 N THR A 55 8.153 -21.390 1.281 1.00 0.00 N ATOM 775 CA THR A 55 7.632 -22.387 0.354 1.00 0.00 C ATOM 776 C THR A 55 6.238 -22.011 -0.131 1.00 0.00 C ATOM 777 O THR A 55 5.800 -22.451 -1.195 1.00 0.00 O ATOM 778 CB THR A 55 7.580 -23.783 1.003 1.00 0.00 C ATOM 779 OG1 THR A 55 7.052 -23.687 2.331 1.00 0.00 O ATOM 780 CG2 THR A 55 8.964 -24.413 1.045 1.00 0.00 C ATOM 0 H THR A 55 8.017 -21.619 2.266 1.00 0.00 H new ATOM 0 HA THR A 55 8.313 -22.415 -0.497 1.00 0.00 H new ATOM 0 HB THR A 55 6.929 -24.416 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.021 -24.579 2.736 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.902 -25.398 1.508 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.349 -24.512 0.030 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.634 -23.781 1.627 1.00 0.00 H new ATOM 788 N ASP A 56 5.542 -21.196 0.655 1.00 0.00 N ATOM 789 CA ASP A 56 4.196 -20.759 0.303 1.00 0.00 C ATOM 790 C ASP A 56 4.240 -19.659 -0.752 1.00 0.00 C ATOM 791 O ASP A 56 5.220 -18.921 -0.854 1.00 0.00 O ATOM 792 CB ASP A 56 3.457 -20.262 1.547 1.00 0.00 C ATOM 793 CG ASP A 56 1.957 -20.454 1.445 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.524 -21.358 0.700 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.215 -19.699 2.109 1.00 0.00 O ATOM 0 H ASP A 56 5.888 -20.825 1.540 1.00 0.00 H new ATOM 0 HA ASP A 56 3.660 -21.613 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.829 -20.793 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.676 -19.205 1.698 1.00 0.00 H new ATOM 800 N PHE A 57 3.172 -19.554 -1.535 1.00 0.00 N ATOM 801 CA PHE A 57 3.089 -18.545 -2.585 1.00 0.00 C ATOM 802 C PHE A 57 2.623 -17.207 -2.017 1.00 0.00 C ATOM 803 O PHE A 57 2.990 -16.146 -2.521 1.00 0.00 O ATOM 804 CB PHE A 57 2.132 -19.003 -3.688 1.00 0.00 C ATOM 805 CG PHE A 57 1.828 -17.935 -4.699 1.00 0.00 C ATOM 806 CD1 PHE A 57 2.801 -17.027 -5.082 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.568 -17.839 -5.266 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.524 -16.043 -6.012 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.284 -16.857 -6.197 1.00 0.00 C ATOM 810 CZ PHE A 57 1.265 -15.957 -6.570 1.00 0.00 C ATOM 0 H PHE A 57 2.351 -20.155 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 57 4.085 -18.414 -3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.564 -19.863 -4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.200 -19.338 -3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.788 -17.089 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.202 -18.539 -4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.293 -15.342 -6.302 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.702 -16.793 -6.632 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.046 -15.188 -7.297 1.00 0.00 H new ATOM 820 N SER A 58 1.813 -17.267 -0.965 1.00 0.00 N ATOM 821 CA SER A 58 1.294 -16.061 -0.330 1.00 0.00 C ATOM 822 C SER A 58 2.384 -15.359 0.476 1.00 0.00 C ATOM 823 O SER A 58 2.577 -14.150 0.355 1.00 0.00 O ATOM 824 CB SER A 58 0.113 -16.406 0.579 1.00 0.00 C ATOM 825 OG SER A 58 -0.623 -15.245 0.922 1.00 0.00 O ATOM 0 H SER A 58 1.502 -18.138 -0.534 1.00 0.00 H new ATOM 0 HA SER A 58 0.954 -15.384 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.540 -17.119 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.477 -16.891 1.485 1.00 0.00 H new ATOM 0 HG SER A 58 -1.373 -15.493 1.502 1.00 0.00 H new ATOM 831 N ASP A 59 3.089 -16.127 1.298 1.00 0.00 N ATOM 832 CA ASP A 59 4.160 -15.581 2.124 1.00 0.00 C ATOM 833 C ASP A 59 5.194 -14.860 1.265 1.00 0.00 C ATOM 834 O ASP A 59 5.672 -13.784 1.624 1.00 0.00 O ATOM 835 CB ASP A 59 4.833 -16.695 2.926 1.00 0.00 C ATOM 836 CG ASP A 59 5.569 -16.169 4.142 1.00 0.00 C ATOM 837 OD1 ASP A 59 4.927 -16.005 5.200 1.00 0.00 O ATOM 838 OD2 ASP A 59 6.790 -15.920 4.036 1.00 0.00 O ATOM 0 H ASP A 59 2.939 -17.130 1.411 1.00 0.00 H new ATOM 0 HA ASP A 59 3.722 -14.861 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.080 -17.416 3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.533 -17.229 2.284 1.00 0.00 H new ATOM 843 N PHE A 60 5.535 -15.460 0.130 1.00 0.00 N ATOM 844 CA PHE A 60 6.516 -14.876 -0.779 1.00 0.00 C ATOM 845 C PHE A 60 6.220 -13.398 -1.020 1.00 0.00 C ATOM 846 O PHE A 60 7.116 -12.556 -0.959 1.00 0.00 O ATOM 847 CB PHE A 60 6.521 -15.630 -2.110 1.00 0.00 C ATOM 848 CG PHE A 60 7.040 -14.815 -3.259 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.403 -14.711 -3.491 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.167 -14.153 -4.108 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.884 -13.960 -4.548 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.643 -13.402 -5.166 1.00 0.00 C ATOM 853 CZ PHE A 60 8.003 -13.306 -5.387 1.00 0.00 C ATOM 0 H PHE A 60 5.147 -16.350 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 60 7.500 -14.962 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.130 -16.528 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.506 -15.958 -2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.096 -15.222 -2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.102 -14.225 -3.941 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.948 -13.885 -4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.952 -12.890 -5.820 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.377 -12.721 -6.214 1.00 0.00 H new ATOM 863 N LEU A 61 4.957 -13.091 -1.295 1.00 0.00 N ATOM 864 CA LEU A 61 4.542 -11.715 -1.546 1.00 0.00 C ATOM 865 C LEU A 61 4.526 -10.906 -0.253 1.00 0.00 C ATOM 866 O LEU A 61 4.488 -9.676 -0.279 1.00 0.00 O ATOM 867 CB LEU A 61 3.156 -11.690 -2.194 1.00 0.00 C ATOM 868 CG LEU A 61 2.962 -12.608 -3.401 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.487 -12.742 -3.738 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.740 -12.083 -4.600 1.00 0.00 C ATOM 0 H LEU A 61 4.203 -13.776 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 61 5.263 -11.263 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.418 -11.957 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.940 -10.667 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 61 3.346 -13.596 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.369 -13.399 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.956 -13.163 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.077 -11.760 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.591 -12.748 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.386 -11.084 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.801 -12.040 -4.355 1.00 0.00 H new ATOM 882 N SER A 62 4.557 -11.606 0.877 1.00 0.00 N ATOM 883 CA SER A 62 4.545 -10.953 2.181 1.00 0.00 C ATOM 884 C SER A 62 5.957 -10.555 2.603 1.00 0.00 C ATOM 885 O SER A 62 6.155 -9.537 3.267 1.00 0.00 O ATOM 886 CB SER A 62 3.929 -11.877 3.232 1.00 0.00 C ATOM 887 OG SER A 62 3.288 -11.132 4.253 1.00 0.00 O ATOM 0 H SER A 62 4.591 -12.625 0.916 1.00 0.00 H new ATOM 0 HA SER A 62 3.940 -10.050 2.101 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.209 -12.544 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.706 -12.505 3.669 1.00 0.00 H new ATOM 0 HG SER A 62 2.901 -11.746 4.912 1.00 0.00 H new ATOM 893 N ILE A 63 6.934 -11.366 2.212 1.00 0.00 N ATOM 894 CA ILE A 63 8.327 -11.099 2.548 1.00 0.00 C ATOM 895 C ILE A 63 8.609 -9.601 2.574 1.00 0.00 C ATOM 896 O ILE A 63 8.816 -8.978 1.532 1.00 0.00 O ATOM 897 CB ILE A 63 9.286 -11.773 1.549 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.212 -13.295 1.685 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.710 -11.286 1.771 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.903 -14.037 0.562 1.00 0.00 C ATOM 0 H ILE A 63 6.787 -12.213 1.663 1.00 0.00 H new ATOM 0 HA ILE A 63 8.497 -11.516 3.541 1.00 0.00 H new ATOM 0 HB ILE A 63 8.983 -11.502 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.661 -13.589 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.166 -13.598 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.376 -11.771 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.751 -10.206 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.024 -11.531 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.810 -15.111 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.439 -13.772 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.958 -13.763 0.540 1.00 0.00 H new ATOM 912 N VAL A 64 8.620 -9.026 3.773 1.00 0.00 N ATOM 913 CA VAL A 64 8.879 -7.601 3.936 1.00 0.00 C ATOM 914 C VAL A 64 10.261 -7.231 3.411 1.00 0.00 C ATOM 915 O VAL A 64 11.243 -7.928 3.669 1.00 0.00 O ATOM 916 CB VAL A 64 8.773 -7.176 5.412 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.637 -8.069 6.289 1.00 0.00 C ATOM 918 CG2 VAL A 64 9.162 -5.715 5.576 1.00 0.00 C ATOM 0 H VAL A 64 8.452 -9.526 4.646 1.00 0.00 H new ATOM 0 HA VAL A 64 8.120 -7.073 3.358 1.00 0.00 H new ATOM 0 HB VAL A 64 7.737 -7.289 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.549 -7.753 7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.305 -9.103 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.677 -7.992 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.081 -5.433 6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.189 -5.572 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.495 -5.092 4.980 1.00 0.00 H new ATOM 928 N GLY A 65 10.333 -6.128 2.672 1.00 0.00 N ATOM 929 CA GLY A 65 11.601 -5.684 2.122 1.00 0.00 C ATOM 930 C GLY A 65 12.748 -5.863 3.095 1.00 0.00 C ATOM 931 O GLY A 65 12.594 -5.648 4.297 1.00 0.00 O ATOM 0 H GLY A 65 9.536 -5.534 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.813 -6.241 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.525 -4.633 1.844 1.00 0.00 H new ATOM 935 N CYS A 66 13.905 -6.259 2.575 1.00 0.00 N ATOM 936 CA CYS A 66 15.085 -6.470 3.406 1.00 0.00 C ATOM 937 C CYS A 66 15.979 -5.232 3.406 1.00 0.00 C ATOM 938 O CYS A 66 16.851 -5.082 4.262 1.00 0.00 O ATOM 939 CB CYS A 66 15.875 -7.682 2.908 1.00 0.00 C ATOM 940 SG CYS A 66 16.514 -7.508 1.211 1.00 0.00 S ATOM 0 H CYS A 66 14.051 -6.440 1.582 1.00 0.00 H new ATOM 0 HA CYS A 66 14.751 -6.656 4.427 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.712 -7.859 3.583 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.235 -8.563 2.955 1.00 0.00 H new ATOM 945 N THR A 67 15.753 -4.346 2.440 1.00 0.00 N ATOM 946 CA THR A 67 16.536 -3.122 2.328 1.00 0.00 C ATOM 947 C THR A 67 15.694 -1.898 2.668 1.00 0.00 C ATOM 948 O THR A 67 14.467 -1.972 2.728 1.00 0.00 O ATOM 949 CB THR A 67 17.118 -2.955 0.911 1.00 0.00 C ATOM 950 OG1 THR A 67 17.924 -4.090 0.575 1.00 0.00 O ATOM 951 CG2 THR A 67 17.951 -1.687 0.815 1.00 0.00 C ATOM 0 H THR A 67 15.034 -4.454 1.724 1.00 0.00 H new ATOM 0 HA THR A 67 17.356 -3.204 3.041 1.00 0.00 H new ATOM 0 HB THR A 67 16.289 -2.879 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.867 -3.825 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.351 -1.590 -0.194 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.326 -0.823 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.774 -1.737 1.528 1.00 0.00 H new ATOM 959 N LYS A 68 16.362 -0.770 2.890 1.00 0.00 N ATOM 960 CA LYS A 68 15.675 0.473 3.222 1.00 0.00 C ATOM 961 C LYS A 68 16.132 1.607 2.310 1.00 0.00 C ATOM 962 O LYS A 68 17.299 1.675 1.924 1.00 0.00 O ATOM 963 CB LYS A 68 15.931 0.845 4.684 1.00 0.00 C ATOM 964 CG LYS A 68 15.118 0.027 5.672 1.00 0.00 C ATOM 965 CD LYS A 68 13.790 0.694 5.989 1.00 0.00 C ATOM 966 CE LYS A 68 12.936 -0.169 6.905 1.00 0.00 C ATOM 967 NZ LYS A 68 13.292 0.024 8.338 1.00 0.00 N ATOM 0 H LYS A 68 17.378 -0.691 2.846 1.00 0.00 H new ATOM 0 HA LYS A 68 14.606 0.320 3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.991 0.715 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.704 1.901 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.938 -0.967 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.688 -0.106 6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.971 1.660 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.249 0.889 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.884 0.074 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.062 -1.218 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.688 -0.581 8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.289 -0.232 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.148 1.020 8.600 1.00 0.00 H new ATOM 981 N GLY A 69 15.205 2.497 1.969 1.00 0.00 N ATOM 982 CA GLY A 69 15.532 3.616 1.106 1.00 0.00 C ATOM 983 C GLY A 69 14.370 4.574 0.933 1.00 0.00 C ATOM 984 O GLY A 69 13.573 4.765 1.851 1.00 0.00 O ATOM 0 H GLY A 69 14.233 2.463 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.384 4.154 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.838 3.240 0.129 1.00 0.00 H new ATOM 988 N ARG A 70 14.275 5.179 -0.247 1.00 0.00 N ATOM 989 CA ARG A 70 13.205 6.124 -0.536 1.00 0.00 C ATOM 990 C ARG A 70 12.215 5.535 -1.537 1.00 0.00 C ATOM 991 O ARG A 70 12.609 4.974 -2.560 1.00 0.00 O ATOM 992 CB ARG A 70 13.782 7.431 -1.084 1.00 0.00 C ATOM 993 CG ARG A 70 15.082 7.849 -0.416 1.00 0.00 C ATOM 994 CD ARG A 70 15.663 9.097 -1.062 1.00 0.00 C ATOM 995 NE ARG A 70 16.750 9.668 -0.269 1.00 0.00 N ATOM 996 CZ ARG A 70 17.110 10.945 -0.328 1.00 0.00 C ATOM 997 NH1 ARG A 70 16.473 11.779 -1.139 1.00 0.00 N ATOM 998 NH2 ARG A 70 18.108 11.389 0.424 1.00 0.00 N ATOM 0 H ARG A 70 14.927 5.031 -1.018 1.00 0.00 H new ATOM 0 HA ARG A 70 12.677 6.330 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.952 7.323 -2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.046 8.225 -0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.905 8.035 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.804 7.035 -0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 70 16.031 8.852 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.876 9.841 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 70 17.260 9.052 0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.705 11.440 -1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.751 12.759 -1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 70 18.600 10.750 1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.384 12.370 0.378 1.00 0.00 H new ATOM 1012 N HIS A 71 10.927 5.665 -1.235 1.00 0.00 N ATOM 1013 CA HIS A 71 9.880 5.145 -2.108 1.00 0.00 C ATOM 1014 C HIS A 71 10.035 5.688 -3.525 1.00 0.00 C ATOM 1015 O HIS A 71 10.255 6.882 -3.722 1.00 0.00 O ATOM 1016 CB HIS A 71 8.500 5.509 -1.558 1.00 0.00 C ATOM 1017 CG HIS A 71 8.248 4.986 -0.178 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.650 3.768 0.069 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.519 5.523 1.035 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.562 3.579 1.373 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.083 4.629 1.982 1.00 0.00 N ATOM 0 H HIS A 71 10.583 6.126 -0.393 1.00 0.00 H new ATOM 0 HA HIS A 71 9.975 4.060 -2.141 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.395 6.594 -1.551 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.736 5.119 -2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.990 6.476 1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.137 2.713 1.859 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.151 4.755 2.992 1.00 0.00 H new ATOM 1029 N ASN A 72 9.921 4.801 -4.509 1.00 0.00 N ATOM 1030 CA ASN A 72 10.050 5.192 -5.908 1.00 0.00 C ATOM 1031 C ASN A 72 8.686 5.505 -6.514 1.00 0.00 C ATOM 1032 O ASN A 72 7.894 4.602 -6.787 1.00 0.00 O ATOM 1033 CB ASN A 72 10.733 4.081 -6.708 1.00 0.00 C ATOM 1034 CG ASN A 72 12.170 3.856 -6.276 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.587 4.307 -5.209 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.934 3.155 -7.105 1.00 0.00 N ATOM 0 H ASN A 72 9.740 3.808 -4.363 1.00 0.00 H new ATOM 0 HA ASN A 72 10.662 6.093 -5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.172 3.154 -6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.711 4.334 -7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.909 2.971 -6.868 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.546 2.800 -7.979 1.00 0.00 H new ATOM 1043 N SER A 73 8.417 6.790 -6.722 1.00 0.00 N ATOM 1044 CA SER A 73 7.148 7.223 -7.292 1.00 0.00 C ATOM 1045 C SER A 73 7.118 6.983 -8.799 1.00 0.00 C ATOM 1046 O SER A 73 6.167 7.361 -9.479 1.00 0.00 O ATOM 1047 CB SER A 73 6.910 8.705 -6.996 1.00 0.00 C ATOM 1048 OG SER A 73 7.599 9.527 -7.923 1.00 0.00 O ATOM 0 H SER A 73 9.062 7.549 -6.504 1.00 0.00 H new ATOM 0 HA SER A 73 6.353 6.636 -6.832 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.842 8.921 -7.037 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.243 8.935 -5.984 1.00 0.00 H new ATOM 0 HG SER A 73 7.430 10.469 -7.714 1.00 0.00 H new ATOM 1054 N GLU A 74 8.170 6.352 -9.311 1.00 0.00 N ATOM 1055 CA GLU A 74 8.266 6.062 -10.737 1.00 0.00 C ATOM 1056 C GLU A 74 8.622 4.597 -10.972 1.00 0.00 C ATOM 1057 O GLU A 74 9.554 4.067 -10.367 1.00 0.00 O ATOM 1058 CB GLU A 74 9.313 6.964 -11.394 1.00 0.00 C ATOM 1059 CG GLU A 74 8.790 8.344 -11.752 1.00 0.00 C ATOM 1060 CD GLU A 74 8.158 8.390 -13.130 1.00 0.00 C ATOM 1061 OE1 GLU A 74 6.962 8.049 -13.246 1.00 0.00 O ATOM 1062 OE2 GLU A 74 8.859 8.767 -14.092 1.00 0.00 O ATOM 0 H GLU A 74 8.967 6.032 -8.760 1.00 0.00 H new ATOM 0 HA GLU A 74 7.293 6.258 -11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.163 7.071 -10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.682 6.479 -12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.055 8.654 -11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.609 9.061 -11.708 1.00 0.00 H new ATOM 1069 N LYS A 75 7.870 3.946 -11.854 1.00 0.00 N ATOM 1070 CA LYS A 75 8.104 2.542 -12.171 1.00 0.00 C ATOM 1071 C LYS A 75 9.573 2.296 -12.500 1.00 0.00 C ATOM 1072 O LYS A 75 10.142 1.318 -12.018 1.00 0.00 O ATOM 1073 CB LYS A 75 7.227 2.111 -13.348 1.00 0.00 C ATOM 1074 CG LYS A 75 5.818 1.716 -12.944 1.00 0.00 C ATOM 1075 CD LYS A 75 5.774 0.312 -12.366 1.00 0.00 C ATOM 1076 CE LYS A 75 6.023 -0.739 -13.437 1.00 0.00 C ATOM 1077 NZ LYS A 75 5.149 -0.536 -14.626 1.00 0.00 N ATOM 0 H LYS A 75 7.093 4.369 -12.362 1.00 0.00 H new ATOM 0 HA LYS A 75 7.842 1.949 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.174 2.927 -14.069 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.700 1.269 -13.854 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.438 2.425 -12.208 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.161 1.774 -13.812 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.523 0.217 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.803 0.138 -11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.068 -0.704 -13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.846 -1.731 -13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.077 -1.426 -15.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.202 -0.241 -14.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.558 0.201 -15.235 1.00 0.00 H new TER 1091 LYS A 75 HETATM 1092 ZN ZN A 201 8.335 2.171 -0.680 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 15.026 -8.953 0.046 1.00 0.00 ZN