USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 478 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 35 HIS HD1 : A 35 HIS ND1 : A 81 ZNZN :(H bumps) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -1.53! C(o=-2.8!,f=-1.5!) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= -3.28! (180deg=-6.79!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -79:sc= 1.22 USER MOD Single : A 22 SER OG : rot 145:sc= 0.549 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -114:sc= -7.6! (180deg=-11.6!) USER MOD Single : A 25 MET CE :methyl -146:sc= -4.45! (180deg=-9.3!) USER MOD Single : A 26 GLN : amide:sc= -0.295 K(o=-0.29,f=-1) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.135) USER MOD Single : A 36 SER OG : rot 120:sc= -1.76 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.14) USER MOD Single : A 42 SER OG : rot 180:sc= -0.115 USER MOD Single : A 45 MET CE :methyl 171:sc= -6.9! (180deg=-6.97!) USER MOD Single : A 46 TYR OH : rot 125:sc= -0.854 USER MOD Single : A 50 SER OG : rot 82:sc= 1.17 USER MOD Single : A 51 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.15) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 30:sc= -2.71! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.064) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -1.510 18.542 3.337 1.00 0.00 N ATOM 2 CA GLY A -2 -2.005 18.407 4.736 1.00 0.00 C ATOM 3 C GLY A -2 -1.033 17.655 5.624 1.00 0.00 C ATOM 4 O GLY A -2 0.073 18.128 5.882 1.00 0.00 O ATOM 0 H1 GLY A -2 -2.209 19.063 2.770 1.00 0.00 H new ATOM 0 H2 GLY A -2 -0.608 19.060 3.336 1.00 0.00 H new ATOM 0 H3 GLY A -2 -1.366 17.597 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -2.181 19.398 5.153 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -2.964 17.888 4.731 1.00 0.00 H new ATOM 10 N SER A -1 -1.447 16.483 6.095 1.00 0.00 N ATOM 11 CA SER A -1 -0.602 15.667 6.961 1.00 0.00 C ATOM 12 C SER A -1 -0.779 14.182 6.655 1.00 0.00 C ATOM 13 O SER A -1 -1.892 13.716 6.414 1.00 0.00 O ATOM 14 CB SER A -1 -0.932 15.937 8.430 1.00 0.00 C ATOM 15 OG SER A -1 -2.323 16.147 8.610 1.00 0.00 O ATOM 0 H SER A -1 -2.361 16.077 5.892 1.00 0.00 H new ATOM 0 HA SER A -1 0.437 15.937 6.771 1.00 0.00 H new ATOM 0 HB2 SER A -1 -0.606 15.094 9.040 1.00 0.00 H new ATOM 0 HB3 SER A -1 -0.381 16.812 8.775 1.00 0.00 H new ATOM 0 HG SER A -1 -2.508 16.316 9.557 1.00 0.00 H new ATOM 21 N ALA A 3 0.330 13.445 6.666 1.00 0.00 N ATOM 22 CA ALA A 3 0.306 12.010 6.390 1.00 0.00 C ATOM 23 C ALA A 3 -0.473 11.701 5.115 1.00 0.00 C ATOM 24 O ALA A 3 -1.701 11.608 5.133 1.00 0.00 O ATOM 25 CB ALA A 3 -0.287 11.254 7.570 1.00 0.00 C ATOM 0 H ALA A 3 1.258 13.819 6.864 1.00 0.00 H new ATOM 0 HA ALA A 3 1.334 11.681 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.298 10.187 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.318 11.435 8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.306 11.598 7.748 1.00 0.00 H new ATOM 31 N LYS A 4 0.249 11.544 4.008 1.00 0.00 N ATOM 32 CA LYS A 4 -0.377 11.249 2.724 1.00 0.00 C ATOM 33 C LYS A 4 0.051 9.883 2.206 1.00 0.00 C ATOM 34 O LYS A 4 1.075 9.338 2.620 1.00 0.00 O ATOM 35 CB LYS A 4 -0.030 12.326 1.698 1.00 0.00 C ATOM 36 CG LYS A 4 1.461 12.525 1.502 1.00 0.00 C ATOM 37 CD LYS A 4 1.742 13.582 0.448 1.00 0.00 C ATOM 38 CE LYS A 4 3.198 14.021 0.474 1.00 0.00 C ATOM 39 NZ LYS A 4 3.338 15.499 0.592 1.00 0.00 N ATOM 0 H LYS A 4 1.266 11.616 3.975 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.456 11.237 2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.481 12.062 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.475 13.270 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.918 12.820 2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.920 11.582 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.497 13.188 -0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.098 14.445 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.705 13.542 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.694 13.682 -0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.347 15.752 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.877 15.957 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.888 15.821 1.473 1.00 0.00 H new ATOM 53 N GLY A 5 -0.750 9.333 1.301 1.00 0.00 N ATOM 54 CA GLY A 5 -0.453 8.034 0.745 1.00 0.00 C ATOM 55 C GLY A 5 -1.343 6.958 1.320 1.00 0.00 C ATOM 56 O GLY A 5 -2.545 7.153 1.492 1.00 0.00 O ATOM 0 H GLY A 5 -1.601 9.768 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.575 8.066 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.590 7.785 0.941 1.00 0.00 H new ATOM 60 N ASN A 6 -0.738 5.825 1.612 1.00 0.00 N ATOM 61 CA ASN A 6 -1.444 4.685 2.175 1.00 0.00 C ATOM 62 C ASN A 6 -2.454 4.152 1.182 1.00 0.00 C ATOM 63 O ASN A 6 -3.652 4.096 1.456 1.00 0.00 O ATOM 64 CB ASN A 6 -2.123 5.060 3.495 1.00 0.00 C ATOM 65 CG ASN A 6 -1.139 5.595 4.523 1.00 0.00 C ATOM 66 OD1 ASN A 6 -0.625 4.714 5.377 1.00 0.00 O flip ATOM 67 ND2 ASN A 6 -0.846 6.789 4.552 1.00 0.00 N flip ATOM 0 H ASN A 6 0.259 5.665 1.467 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.718 3.900 2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.890 5.811 3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.629 4.184 3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.262 7.433 3.879 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.187 7.136 5.249 1.00 0.00 H new ATOM 74 N PHE A 7 -1.955 3.760 0.019 1.00 0.00 N ATOM 75 CA PHE A 7 -2.806 3.231 -1.026 1.00 0.00 C ATOM 76 C PHE A 7 -2.013 2.350 -1.992 1.00 0.00 C ATOM 77 O PHE A 7 -0.782 2.346 -1.975 1.00 0.00 O ATOM 78 CB PHE A 7 -3.479 4.373 -1.791 1.00 0.00 C ATOM 79 CG PHE A 7 -4.705 4.930 -1.113 1.00 0.00 C ATOM 80 CD1 PHE A 7 -5.919 4.266 -1.189 1.00 0.00 C ATOM 81 CD2 PHE A 7 -4.645 6.125 -0.410 1.00 0.00 C ATOM 82 CE1 PHE A 7 -7.047 4.783 -0.578 1.00 0.00 C ATOM 83 CE2 PHE A 7 -5.771 6.644 0.206 1.00 0.00 C ATOM 84 CZ PHE A 7 -6.973 5.970 0.121 1.00 0.00 C ATOM 0 H PHE A 7 -0.964 3.800 -0.221 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.572 2.616 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.757 5.178 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.756 4.018 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.985 3.334 -1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.708 6.657 -0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.987 4.257 -0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.709 7.574 0.752 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.853 6.371 0.601 1.00 0.00 H new ATOM 94 N CYS A 8 -2.731 1.612 -2.838 1.00 0.00 N ATOM 95 CA CYS A 8 -2.103 0.740 -3.825 1.00 0.00 C ATOM 96 C CYS A 8 -1.241 1.571 -4.778 1.00 0.00 C ATOM 97 O CYS A 8 -1.741 2.446 -5.484 1.00 0.00 O ATOM 98 CB CYS A 8 -3.188 -0.031 -4.584 1.00 0.00 C ATOM 99 SG CYS A 8 -2.662 -0.954 -6.052 1.00 0.00 S ATOM 0 H CYS A 8 -3.751 1.602 -2.858 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.454 0.020 -3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.654 -0.732 -3.891 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.959 0.678 -4.887 1.00 0.00 H new ATOM 104 N PRO A 9 0.076 1.308 -4.790 1.00 0.00 N ATOM 105 CA PRO A 9 1.033 2.030 -5.640 1.00 0.00 C ATOM 106 C PRO A 9 0.845 1.725 -7.122 1.00 0.00 C ATOM 107 O PRO A 9 1.488 2.331 -7.980 1.00 0.00 O ATOM 108 CB PRO A 9 2.392 1.524 -5.151 1.00 0.00 C ATOM 109 CG PRO A 9 2.110 0.193 -4.546 1.00 0.00 C ATOM 110 CD PRO A 9 0.730 0.283 -3.967 1.00 0.00 C ATOM 0 HA PRO A 9 0.913 3.111 -5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.102 1.442 -5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.828 2.206 -4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.167 -0.596 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.841 -0.047 -3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.208 -0.672 -4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.754 0.569 -2.915 1.00 0.00 H new ATOM 118 N LEU A 10 -0.042 0.785 -7.413 1.00 0.00 N ATOM 119 CA LEU A 10 -0.325 0.393 -8.782 1.00 0.00 C ATOM 120 C LEU A 10 -1.496 1.207 -9.351 1.00 0.00 C ATOM 121 O LEU A 10 -1.403 1.758 -10.446 1.00 0.00 O ATOM 122 CB LEU A 10 -0.646 -1.108 -8.837 1.00 0.00 C ATOM 123 CG LEU A 10 0.166 -1.986 -7.874 1.00 0.00 C ATOM 124 CD1 LEU A 10 -0.198 -3.454 -8.047 1.00 0.00 C ATOM 125 CD2 LEU A 10 1.655 -1.779 -8.101 1.00 0.00 C ATOM 0 H LEU A 10 -0.581 0.277 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 10 0.556 0.594 -9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.706 -1.245 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.479 -1.462 -9.854 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.077 -1.692 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.389 -4.058 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.259 -3.593 -7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.015 -3.764 -9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.219 -2.407 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.908 -2.048 -9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.908 -0.733 -7.928 1.00 0.00 H new ATOM 137 N CYS A 11 -2.594 1.275 -8.596 1.00 0.00 N ATOM 138 CA CYS A 11 -3.785 2.013 -9.015 1.00 0.00 C ATOM 139 C CYS A 11 -4.635 2.435 -7.810 1.00 0.00 C ATOM 140 O CYS A 11 -5.149 3.550 -7.761 1.00 0.00 O ATOM 141 CB CYS A 11 -4.619 1.145 -9.958 1.00 0.00 C ATOM 142 SG CYS A 11 -5.327 -0.316 -9.165 1.00 0.00 S ATOM 0 H CYS A 11 -2.682 0.824 -7.685 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.462 2.917 -9.531 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.426 1.748 -10.375 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.994 0.828 -10.793 1.00 0.00 H new ATOM 147 N ASP A 12 -4.793 1.520 -6.853 1.00 0.00 N ATOM 148 CA ASP A 12 -5.592 1.765 -5.649 1.00 0.00 C ATOM 149 C ASP A 12 -6.969 2.300 -5.993 1.00 0.00 C ATOM 150 O ASP A 12 -7.626 2.933 -5.167 1.00 0.00 O ATOM 151 CB ASP A 12 -4.869 2.722 -4.698 1.00 0.00 C ATOM 152 CG ASP A 12 -4.725 4.131 -5.244 1.00 0.00 C ATOM 153 OD1 ASP A 12 -5.659 4.939 -5.061 1.00 0.00 O ATOM 154 OD2 ASP A 12 -3.672 4.428 -5.848 1.00 0.00 O ATOM 0 H ASP A 12 -4.373 0.591 -6.889 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.722 0.807 -5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.412 2.761 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.878 2.323 -4.479 1.00 0.00 H new ATOM 159 N LYS A 13 -7.402 2.041 -7.220 1.00 0.00 N ATOM 160 CA LYS A 13 -8.701 2.494 -7.686 1.00 0.00 C ATOM 161 C LYS A 13 -8.762 4.017 -7.811 1.00 0.00 C ATOM 162 O LYS A 13 -9.606 4.556 -8.524 1.00 0.00 O ATOM 163 CB LYS A 13 -9.811 1.983 -6.768 1.00 0.00 C ATOM 164 CG LYS A 13 -11.178 2.044 -7.421 1.00 0.00 C ATOM 165 CD LYS A 13 -12.267 2.453 -6.445 1.00 0.00 C ATOM 166 CE LYS A 13 -12.595 3.932 -6.568 1.00 0.00 C ATOM 167 NZ LYS A 13 -13.156 4.490 -5.311 1.00 0.00 N ATOM 0 H LYS A 13 -6.867 1.516 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.853 2.079 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.595 0.954 -6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.822 2.575 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.151 2.752 -8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.420 1.069 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.165 1.863 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.946 2.233 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.692 4.481 -6.836 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.309 4.078 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.150 4.756 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.100 3.775 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.611 5.330 -5.031 1.00 0.00 H new ATOM 181 N CYS A 14 -7.858 4.697 -7.129 1.00 0.00 N ATOM 182 CA CYS A 14 -7.790 6.152 -7.167 1.00 0.00 C ATOM 183 C CYS A 14 -9.069 6.778 -6.621 1.00 0.00 C ATOM 184 O CYS A 14 -10.164 6.470 -7.087 1.00 0.00 O ATOM 185 CB CYS A 14 -7.539 6.624 -8.597 1.00 0.00 C ATOM 186 SG CYS A 14 -5.821 7.087 -8.926 1.00 0.00 S ATOM 0 H CYS A 14 -7.152 4.262 -6.535 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.963 6.472 -6.533 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.830 5.832 -9.287 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.182 7.480 -8.805 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.704 7.471 -10.162 1.00 0.00 H new ATOM 192 N TYR A 15 -8.910 7.651 -5.618 1.00 0.00 N ATOM 193 CA TYR A 15 -10.034 8.341 -4.974 1.00 0.00 C ATOM 194 C TYR A 15 -10.683 7.460 -3.914 1.00 0.00 C ATOM 195 O TYR A 15 -11.291 7.946 -2.960 1.00 0.00 O ATOM 196 CB TYR A 15 -11.066 8.786 -6.009 1.00 0.00 C ATOM 197 CG TYR A 15 -10.621 9.982 -6.824 1.00 0.00 C ATOM 198 CD1 TYR A 15 -9.556 9.887 -7.711 1.00 0.00 C ATOM 199 CD2 TYR A 15 -11.265 11.207 -6.702 1.00 0.00 C ATOM 200 CE1 TYR A 15 -9.146 10.980 -8.456 1.00 0.00 C ATOM 201 CE2 TYR A 15 -10.862 12.303 -7.442 1.00 0.00 C ATOM 202 CZ TYR A 15 -9.803 12.186 -8.317 1.00 0.00 C ATOM 203 OH TYR A 15 -9.404 13.280 -9.055 1.00 0.00 O ATOM 0 H TYR A 15 -7.999 7.898 -5.231 1.00 0.00 H new ATOM 0 HA TYR A 15 -9.640 9.230 -4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.277 7.955 -6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.999 9.029 -5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -9.039 8.945 -7.821 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -12.095 11.305 -6.017 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.317 10.889 -9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.375 13.247 -7.335 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.973 14.047 -8.837 1.00 0.00 H new ATOM 213 N ASP A 16 -10.542 6.161 -4.105 1.00 0.00 N ATOM 214 CA ASP A 16 -11.093 5.153 -3.200 1.00 0.00 C ATOM 215 C ASP A 16 -10.979 5.546 -1.735 1.00 0.00 C ATOM 216 O ASP A 16 -9.933 5.386 -1.110 1.00 0.00 O ATOM 217 CB ASP A 16 -10.393 3.821 -3.442 1.00 0.00 C ATOM 218 CG ASP A 16 -11.342 2.643 -3.362 1.00 0.00 C ATOM 219 OD1 ASP A 16 -12.469 2.818 -2.853 1.00 0.00 O ATOM 220 OD2 ASP A 16 -10.961 1.543 -3.818 1.00 0.00 O ATOM 0 H ASP A 16 -10.038 5.766 -4.899 1.00 0.00 H new ATOM 0 HA ASP A 16 -12.158 5.067 -3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.920 3.836 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.598 3.693 -2.707 1.00 0.00 H new ATOM 225 N ASP A 17 -12.087 6.034 -1.193 1.00 0.00 N ATOM 226 CA ASP A 17 -12.146 6.424 0.204 1.00 0.00 C ATOM 227 C ASP A 17 -12.503 5.221 1.076 1.00 0.00 C ATOM 228 O ASP A 17 -12.506 5.311 2.302 1.00 0.00 O ATOM 229 CB ASP A 17 -13.173 7.538 0.404 1.00 0.00 C ATOM 230 CG ASP A 17 -12.810 8.805 -0.348 1.00 0.00 C ATOM 231 OD1 ASP A 17 -11.642 9.238 -0.251 1.00 0.00 O ATOM 232 OD2 ASP A 17 -13.692 9.363 -1.033 1.00 0.00 O ATOM 0 H ASP A 17 -12.959 6.168 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.165 6.795 0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.151 7.190 0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.259 7.762 1.467 1.00 0.00 H new ATOM 237 N ASP A 18 -12.802 4.091 0.435 1.00 0.00 N ATOM 238 CA ASP A 18 -13.155 2.875 1.155 1.00 0.00 C ATOM 239 C ASP A 18 -11.999 1.884 1.139 1.00 0.00 C ATOM 240 O ASP A 18 -12.205 0.673 1.066 1.00 0.00 O ATOM 241 CB ASP A 18 -14.401 2.231 0.545 1.00 0.00 C ATOM 242 CG ASP A 18 -15.570 3.192 0.477 1.00 0.00 C ATOM 243 OD1 ASP A 18 -15.674 4.062 1.365 1.00 0.00 O ATOM 244 OD2 ASP A 18 -16.381 3.077 -0.467 1.00 0.00 O ATOM 0 H ASP A 18 -12.806 3.996 -0.581 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.369 3.146 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.168 1.874 -0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.684 1.360 1.136 1.00 0.00 H new ATOM 249 N ASP A 19 -10.783 2.412 1.203 1.00 0.00 N ATOM 250 CA ASP A 19 -9.578 1.587 1.187 1.00 0.00 C ATOM 251 C ASP A 19 -9.478 0.703 2.422 1.00 0.00 C ATOM 252 O ASP A 19 -8.703 -0.252 2.451 1.00 0.00 O ATOM 253 CB ASP A 19 -8.345 2.475 1.103 1.00 0.00 C ATOM 254 CG ASP A 19 -8.318 3.542 2.178 1.00 0.00 C ATOM 255 OD1 ASP A 19 -9.351 4.215 2.375 1.00 0.00 O ATOM 256 OD2 ASP A 19 -7.263 3.703 2.827 1.00 0.00 O ATOM 0 H ASP A 19 -10.603 3.414 1.267 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.636 0.940 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.451 1.857 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.312 2.951 0.123 1.00 0.00 H new ATOM 261 N TYR A 20 -10.271 1.015 3.431 1.00 0.00 N ATOM 262 CA TYR A 20 -10.278 0.239 4.660 1.00 0.00 C ATOM 263 C TYR A 20 -10.892 -1.119 4.401 1.00 0.00 C ATOM 264 O TYR A 20 -10.417 -2.147 4.885 1.00 0.00 O ATOM 265 CB TYR A 20 -11.056 0.968 5.759 1.00 0.00 C ATOM 266 CG TYR A 20 -12.300 1.673 5.262 1.00 0.00 C ATOM 267 CD1 TYR A 20 -13.469 0.966 5.020 1.00 0.00 C ATOM 268 CD2 TYR A 20 -12.303 3.045 5.033 1.00 0.00 C ATOM 269 CE1 TYR A 20 -14.608 1.603 4.563 1.00 0.00 C ATOM 270 CE2 TYR A 20 -13.438 3.690 4.577 1.00 0.00 C ATOM 271 CZ TYR A 20 -14.588 2.964 4.344 1.00 0.00 C ATOM 272 OH TYR A 20 -15.720 3.602 3.891 1.00 0.00 O ATOM 0 H TYR A 20 -10.920 1.802 3.424 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.250 0.112 4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.340 0.250 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.400 1.699 6.232 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.490 -0.100 5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.404 3.616 5.214 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.509 1.037 4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.424 4.756 4.404 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.813 3.458 2.926 1.00 0.00 H new ATOM 282 N GLU A 21 -11.942 -1.101 3.607 1.00 0.00 N ATOM 283 CA GLU A 21 -12.644 -2.315 3.232 1.00 0.00 C ATOM 284 C GLU A 21 -12.310 -2.698 1.793 1.00 0.00 C ATOM 285 O GLU A 21 -12.742 -3.743 1.304 1.00 0.00 O ATOM 286 CB GLU A 21 -14.154 -2.130 3.391 1.00 0.00 C ATOM 287 CG GLU A 21 -14.811 -3.186 4.264 1.00 0.00 C ATOM 288 CD GLU A 21 -15.789 -4.047 3.491 1.00 0.00 C ATOM 289 OE1 GLU A 21 -15.590 -4.214 2.269 1.00 0.00 O ATOM 290 OE2 GLU A 21 -16.753 -4.550 4.103 1.00 0.00 O ATOM 0 H GLU A 21 -12.333 -0.250 3.204 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.320 -3.119 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.347 -1.146 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.619 -2.146 2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.041 -3.820 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.332 -2.699 5.088 1.00 0.00 H new ATOM 297 N SER A 22 -11.530 -1.852 1.118 1.00 0.00 N ATOM 298 CA SER A 22 -11.137 -2.118 -0.264 1.00 0.00 C ATOM 299 C SER A 22 -10.164 -3.296 -0.359 1.00 0.00 C ATOM 300 O SER A 22 -9.567 -3.528 -1.408 1.00 0.00 O ATOM 301 CB SER A 22 -10.502 -0.875 -0.886 1.00 0.00 C ATOM 302 OG SER A 22 -10.508 -0.951 -2.301 1.00 0.00 O ATOM 0 H SER A 22 -11.161 -0.983 1.504 1.00 0.00 H new ATOM 0 HA SER A 22 -12.041 -2.379 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.045 0.014 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.478 -0.769 -0.529 1.00 0.00 H new ATOM 0 HG SER A 22 -10.653 -0.057 -2.676 1.00 0.00 H new ATOM 308 N LYS A 23 -10.008 -4.040 0.734 1.00 0.00 N ATOM 309 CA LYS A 23 -9.113 -5.186 0.757 1.00 0.00 C ATOM 310 C LYS A 23 -7.666 -4.762 0.537 1.00 0.00 C ATOM 311 O LYS A 23 -7.056 -5.105 -0.475 1.00 0.00 O ATOM 312 CB LYS A 23 -9.528 -6.210 -0.300 1.00 0.00 C ATOM 313 CG LYS A 23 -9.187 -7.642 0.082 1.00 0.00 C ATOM 314 CD LYS A 23 -10.407 -8.390 0.595 1.00 0.00 C ATOM 315 CE LYS A 23 -10.022 -9.480 1.586 1.00 0.00 C ATOM 316 NZ LYS A 23 -11.165 -9.878 2.459 1.00 0.00 N ATOM 0 H LYS A 23 -10.492 -3.866 1.615 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.186 -5.645 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.602 -6.132 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.039 -5.967 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.778 -8.163 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.412 -7.640 0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.090 -7.688 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.942 -8.834 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.662 -10.353 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.198 -9.129 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.857 -10.622 3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.493 -9.052 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.943 -10.238 1.870 1.00 0.00 H new ATOM 330 N MET A 24 -7.120 -4.011 1.486 1.00 0.00 N ATOM 331 CA MET A 24 -5.741 -3.545 1.385 1.00 0.00 C ATOM 332 C MET A 24 -4.921 -3.987 2.586 1.00 0.00 C ATOM 333 O MET A 24 -5.470 -4.352 3.624 1.00 0.00 O ATOM 334 CB MET A 24 -5.702 -2.029 1.262 1.00 0.00 C ATOM 335 CG MET A 24 -5.949 -1.551 -0.151 1.00 0.00 C ATOM 336 SD MET A 24 -6.424 0.175 -0.215 1.00 0.00 S ATOM 337 CE MET A 24 -4.812 0.937 -0.224 1.00 0.00 C ATOM 0 H MET A 24 -7.608 -3.712 2.331 1.00 0.00 H new ATOM 0 HA MET A 24 -5.304 -3.989 0.490 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.452 -1.596 1.924 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.731 -1.666 1.599 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.047 -1.699 -0.745 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.732 -2.158 -0.605 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.671 1.502 0.697 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.045 0.166 -0.297 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.732 1.610 -1.078 1.00 0.00 H new ATOM 347 N MET A 25 -3.602 -3.953 2.437 1.00 0.00 N ATOM 348 CA MET A 25 -2.707 -4.358 3.514 1.00 0.00 C ATOM 349 C MET A 25 -1.934 -3.184 4.082 1.00 0.00 C ATOM 350 O MET A 25 -1.664 -2.212 3.388 1.00 0.00 O ATOM 351 CB MET A 25 -1.720 -5.396 3.022 1.00 0.00 C ATOM 352 CG MET A 25 -0.823 -5.934 4.117 1.00 0.00 C ATOM 353 SD MET A 25 -1.698 -6.973 5.292 1.00 0.00 S ATOM 354 CE MET A 25 -1.483 -8.560 4.499 1.00 0.00 C ATOM 0 H MET A 25 -3.130 -3.651 1.585 1.00 0.00 H new ATOM 0 HA MET A 25 -3.333 -4.777 4.302 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.268 -6.223 2.571 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.102 -4.958 2.238 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.012 -6.507 3.667 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.366 -5.099 4.648 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.365 -9.176 4.673 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.347 -8.416 3.427 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.606 -9.057 4.912 1.00 0.00 H new ATOM 364 N GLN A 26 -1.564 -3.299 5.347 1.00 0.00 N ATOM 365 CA GLN A 26 -0.799 -2.258 6.022 1.00 0.00 C ATOM 366 C GLN A 26 0.695 -2.575 6.035 1.00 0.00 C ATOM 367 O GLN A 26 1.136 -3.495 6.724 1.00 0.00 O ATOM 368 CB GLN A 26 -1.307 -2.076 7.450 1.00 0.00 C ATOM 369 CG GLN A 26 -1.244 -0.640 7.939 1.00 0.00 C ATOM 370 CD GLN A 26 -1.841 -0.475 9.321 1.00 0.00 C ATOM 371 OE1 GLN A 26 -2.868 -1.074 9.639 1.00 0.00 O ATOM 372 NE2 GLN A 26 -1.199 0.337 10.151 1.00 0.00 N ATOM 0 H GLN A 26 -1.781 -4.106 5.931 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.938 -1.331 5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.338 -2.426 7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.719 -2.705 8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.206 -0.309 7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.775 0.004 7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.351 0.813 9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.554 0.485 11.096 1.00 0.00 H new ATOM 381 N CYS A 27 1.475 -1.805 5.283 1.00 0.00 N ATOM 382 CA CYS A 27 2.911 -2.008 5.230 1.00 0.00 C ATOM 383 C CYS A 27 3.529 -1.861 6.626 1.00 0.00 C ATOM 384 O CYS A 27 2.937 -1.251 7.510 1.00 0.00 O ATOM 385 CB CYS A 27 3.520 -1.009 4.246 1.00 0.00 C ATOM 386 SG CYS A 27 5.317 -1.073 4.125 1.00 0.00 S ATOM 0 H CYS A 27 1.134 -1.037 4.704 1.00 0.00 H new ATOM 0 HA CYS A 27 3.125 -3.020 4.885 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.096 -1.188 3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.225 -0.002 4.542 1.00 0.00 H new ATOM 391 N GLY A 28 4.712 -2.437 6.824 1.00 0.00 N ATOM 392 CA GLY A 28 5.368 -2.358 8.121 1.00 0.00 C ATOM 393 C GLY A 28 6.469 -1.318 8.144 1.00 0.00 C ATOM 394 O GLY A 28 6.906 -0.882 9.210 1.00 0.00 O ATOM 0 H GLY A 28 5.228 -2.956 6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.629 -2.119 8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.786 -3.332 8.375 1.00 0.00 H new ATOM 398 N LYS A 29 6.914 -0.920 6.960 1.00 0.00 N ATOM 399 CA LYS A 29 7.965 0.073 6.825 1.00 0.00 C ATOM 400 C LYS A 29 7.370 1.477 6.832 1.00 0.00 C ATOM 401 O LYS A 29 7.723 2.306 7.670 1.00 0.00 O ATOM 402 CB LYS A 29 8.733 -0.153 5.521 1.00 0.00 C ATOM 403 CG LYS A 29 10.209 -0.458 5.718 1.00 0.00 C ATOM 404 CD LYS A 29 10.822 -1.070 4.469 1.00 0.00 C ATOM 405 CE LYS A 29 11.982 -1.992 4.808 1.00 0.00 C ATOM 406 NZ LYS A 29 12.986 -1.331 5.688 1.00 0.00 N ATOM 0 H LYS A 29 6.558 -1.275 6.073 1.00 0.00 H new ATOM 0 HA LYS A 29 8.649 -0.027 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.271 -0.978 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.636 0.735 4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.740 0.459 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.332 -1.142 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.060 -1.628 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.169 -0.276 3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.601 -2.886 5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.466 -2.318 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.848 -1.912 5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.219 -0.393 5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.593 -1.226 6.645 1.00 0.00 H new ATOM 420 N CYS A 30 6.459 1.736 5.902 1.00 0.00 N ATOM 421 CA CYS A 30 5.818 3.038 5.814 1.00 0.00 C ATOM 422 C CYS A 30 4.377 2.970 6.314 1.00 0.00 C ATOM 423 O CYS A 30 3.671 3.977 6.358 1.00 0.00 O ATOM 424 CB CYS A 30 5.882 3.558 4.379 1.00 0.00 C ATOM 425 SG CYS A 30 5.040 2.521 3.172 1.00 0.00 S ATOM 0 H CYS A 30 6.150 1.063 5.201 1.00 0.00 H new ATOM 0 HA CYS A 30 6.355 3.736 6.456 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.447 4.557 4.348 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.928 3.657 4.088 1.00 0.00 H new ATOM 430 N ASP A 31 3.953 1.768 6.700 1.00 0.00 N ATOM 431 CA ASP A 31 2.609 1.543 7.209 1.00 0.00 C ATOM 432 C ASP A 31 1.540 1.917 6.185 1.00 0.00 C ATOM 433 O ASP A 31 0.372 2.083 6.533 1.00 0.00 O ATOM 434 CB ASP A 31 2.394 2.318 8.510 1.00 0.00 C ATOM 435 CG ASP A 31 2.660 1.463 9.735 1.00 0.00 C ATOM 436 OD1 ASP A 31 3.844 1.218 10.042 1.00 0.00 O ATOM 437 OD2 ASP A 31 1.681 1.035 10.381 1.00 0.00 O ATOM 0 H ASP A 31 4.531 0.929 6.668 1.00 0.00 H new ATOM 0 HA ASP A 31 2.511 0.476 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.051 3.188 8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.370 2.691 8.544 1.00 0.00 H new ATOM 442 N ARG A 32 1.946 2.042 4.925 1.00 0.00 N ATOM 443 CA ARG A 32 1.018 2.388 3.857 1.00 0.00 C ATOM 444 C ARG A 32 0.140 1.201 3.485 1.00 0.00 C ATOM 445 O ARG A 32 0.571 0.049 3.545 1.00 0.00 O ATOM 446 CB ARG A 32 1.774 2.879 2.629 1.00 0.00 C ATOM 447 CG ARG A 32 1.831 4.394 2.503 1.00 0.00 C ATOM 448 CD ARG A 32 2.426 5.081 3.725 1.00 0.00 C ATOM 449 NE ARG A 32 3.669 5.789 3.416 1.00 0.00 N ATOM 450 CZ ARG A 32 3.804 6.702 2.455 1.00 0.00 C ATOM 451 NH1 ARG A 32 2.763 7.075 1.719 1.00 0.00 N ATOM 452 NH2 ARG A 32 4.989 7.257 2.238 1.00 0.00 N ATOM 0 H ARG A 32 2.910 1.909 4.620 1.00 0.00 H new ATOM 0 HA ARG A 32 0.376 3.189 4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.791 2.489 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.303 2.468 1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.421 4.656 1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.824 4.775 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.701 5.786 4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.617 4.338 4.499 1.00 0.00 H new ATOM 0 HE ARG A 32 4.492 5.567 3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.846 6.661 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.881 7.775 0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.791 6.984 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.098 7.956 1.504 1.00 0.00 H new ATOM 466 N TRP A 33 -1.096 1.495 3.104 1.00 0.00 N ATOM 467 CA TRP A 33 -2.040 0.458 2.721 1.00 0.00 C ATOM 468 C TRP A 33 -1.912 0.100 1.243 1.00 0.00 C ATOM 469 O TRP A 33 -2.041 0.963 0.375 1.00 0.00 O ATOM 470 CB TRP A 33 -3.470 0.902 3.031 1.00 0.00 C ATOM 471 CG TRP A 33 -3.791 0.871 4.494 1.00 0.00 C ATOM 472 CD1 TRP A 33 -3.671 1.901 5.382 1.00 0.00 C ATOM 473 CD2 TRP A 33 -4.283 -0.247 5.241 1.00 0.00 C ATOM 474 NE1 TRP A 33 -4.055 1.490 6.634 1.00 0.00 N ATOM 475 CE2 TRP A 33 -4.435 0.176 6.573 1.00 0.00 C ATOM 476 CE3 TRP A 33 -4.607 -1.564 4.911 1.00 0.00 C ATOM 477 CZ2 TRP A 33 -4.900 -0.672 7.574 1.00 0.00 C ATOM 478 CZ3 TRP A 33 -5.070 -2.403 5.908 1.00 0.00 C ATOM 479 CH2 TRP A 33 -5.211 -1.954 7.224 1.00 0.00 C ATOM 0 H TRP A 33 -1.467 2.444 3.052 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.806 -0.433 3.303 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.620 1.914 2.654 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -4.168 0.256 2.498 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.325 2.894 5.135 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.057 2.069 7.473 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -4.498 -1.921 3.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -5.011 -0.328 8.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -5.327 -3.423 5.665 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -5.573 -2.635 7.979 1.00 0.00 H new ATOM 490 N VAL A 34 -1.654 -1.173 0.959 1.00 0.00 N ATOM 491 CA VAL A 34 -1.507 -1.636 -0.417 1.00 0.00 C ATOM 492 C VAL A 34 -2.671 -2.544 -0.812 1.00 0.00 C ATOM 493 O VAL A 34 -3.169 -3.321 0.003 1.00 0.00 O ATOM 494 CB VAL A 34 -0.189 -2.420 -0.607 1.00 0.00 C ATOM 495 CG1 VAL A 34 0.056 -2.720 -2.083 1.00 0.00 C ATOM 496 CG2 VAL A 34 0.984 -1.664 0.001 1.00 0.00 C ATOM 0 H VAL A 34 -1.542 -1.902 1.663 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.496 -0.750 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.281 -3.371 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.989 -3.272 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.767 -3.318 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.121 -1.784 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.900 -2.236 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.081 -0.692 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.812 -1.522 1.068 1.00 0.00 H new ATOM 506 N HIS A 35 -3.096 -2.447 -2.069 1.00 0.00 N ATOM 507 CA HIS A 35 -4.198 -3.266 -2.576 1.00 0.00 C ATOM 508 C HIS A 35 -3.868 -4.749 -2.429 1.00 0.00 C ATOM 509 O HIS A 35 -2.870 -5.226 -2.967 1.00 0.00 O ATOM 510 CB HIS A 35 -4.438 -2.963 -4.049 1.00 0.00 C ATOM 511 CG HIS A 35 -5.645 -2.130 -4.347 1.00 0.00 C ATOM 512 ND1 HIS A 35 -5.879 -1.643 -5.616 1.00 0.00 N ATOM 513 CD2 HIS A 35 -6.648 -1.735 -3.527 1.00 0.00 C ATOM 514 CE1 HIS A 35 -7.012 -0.968 -5.534 1.00 0.00 C ATOM 515 NE2 HIS A 35 -7.516 -0.996 -4.289 1.00 0.00 N ATOM 0 H HIS A 35 -2.695 -1.810 -2.757 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.092 -3.031 -1.998 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.560 -2.453 -4.445 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.528 -3.907 -4.586 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.745 -1.959 -2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.475 -0.457 -6.365 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.378 -0.553 -3.972 1.00 0.00 H new ATOM 523 N SER A 36 -4.703 -5.472 -1.695 1.00 0.00 N ATOM 524 CA SER A 36 -4.483 -6.899 -1.478 1.00 0.00 C ATOM 525 C SER A 36 -4.476 -7.714 -2.780 1.00 0.00 C ATOM 526 O SER A 36 -3.605 -8.550 -2.984 1.00 0.00 O ATOM 527 CB SER A 36 -5.516 -7.469 -0.501 1.00 0.00 C ATOM 528 OG SER A 36 -6.649 -7.986 -1.177 1.00 0.00 O ATOM 0 H SER A 36 -5.536 -5.098 -1.241 1.00 0.00 H new ATOM 0 HA SER A 36 -3.488 -6.990 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.057 -8.258 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.831 -6.689 0.192 1.00 0.00 H new ATOM 0 HG SER A 36 -6.744 -8.940 -0.973 1.00 0.00 H new ATOM 534 N LYS A 37 -5.460 -7.501 -3.643 1.00 0.00 N ATOM 535 CA LYS A 37 -5.555 -8.262 -4.889 1.00 0.00 C ATOM 536 C LYS A 37 -4.632 -7.712 -5.973 1.00 0.00 C ATOM 537 O LYS A 37 -4.023 -8.467 -6.730 1.00 0.00 O ATOM 538 CB LYS A 37 -7.003 -8.266 -5.383 1.00 0.00 C ATOM 539 CG LYS A 37 -7.579 -9.658 -5.589 1.00 0.00 C ATOM 540 CD LYS A 37 -9.096 -9.652 -5.485 1.00 0.00 C ATOM 541 CE LYS A 37 -9.560 -9.607 -4.037 1.00 0.00 C ATOM 542 NZ LYS A 37 -10.462 -10.745 -3.706 1.00 0.00 N ATOM 0 H LYS A 37 -6.201 -6.813 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.233 -9.282 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.623 -7.729 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.057 -7.718 -6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.281 -10.035 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.165 -10.339 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.494 -8.791 -6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.498 -10.543 -5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.693 -9.628 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.079 -8.667 -3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.755 -10.677 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.302 -10.711 -4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.959 -11.642 -3.858 1.00 0.00 H new ATOM 556 N CYS A 38 -4.550 -6.395 -6.052 1.00 0.00 N ATOM 557 CA CYS A 38 -3.723 -5.735 -7.052 1.00 0.00 C ATOM 558 C CYS A 38 -2.250 -6.089 -6.882 1.00 0.00 C ATOM 559 O CYS A 38 -1.563 -6.397 -7.854 1.00 0.00 O ATOM 560 CB CYS A 38 -3.916 -4.230 -6.947 1.00 0.00 C ATOM 561 SG CYS A 38 -3.928 -3.347 -8.520 1.00 0.00 S ATOM 0 H CYS A 38 -5.049 -5.757 -5.432 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.032 -6.081 -8.039 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.857 -4.035 -6.432 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.121 -3.820 -6.324 1.00 0.00 H new ATOM 566 N GLU A 39 -1.766 -6.051 -5.644 1.00 0.00 N ATOM 567 CA GLU A 39 -0.371 -6.376 -5.367 1.00 0.00 C ATOM 568 C GLU A 39 -0.104 -7.878 -5.557 1.00 0.00 C ATOM 569 O GLU A 39 0.953 -8.379 -5.183 1.00 0.00 O ATOM 570 CB GLU A 39 -0.001 -5.923 -3.947 1.00 0.00 C ATOM 571 CG GLU A 39 1.450 -6.179 -3.556 1.00 0.00 C ATOM 572 CD GLU A 39 2.405 -5.137 -4.106 1.00 0.00 C ATOM 573 OE1 GLU A 39 1.977 -3.979 -4.293 1.00 0.00 O ATOM 574 OE2 GLU A 39 3.583 -5.479 -4.344 1.00 0.00 O ATOM 0 H GLU A 39 -2.315 -5.800 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 39 0.259 -5.842 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.205 -4.856 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.650 -6.434 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.529 -6.199 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.749 -7.164 -3.916 1.00 0.00 H new ATOM 581 N ASN A 40 -1.057 -8.594 -6.158 1.00 0.00 N ATOM 582 CA ASN A 40 -0.898 -10.022 -6.406 1.00 0.00 C ATOM 583 C ASN A 40 -0.809 -10.810 -5.102 1.00 0.00 C ATOM 584 O ASN A 40 -0.175 -11.863 -5.046 1.00 0.00 O ATOM 585 CB ASN A 40 0.347 -10.274 -7.260 1.00 0.00 C ATOM 586 CG ASN A 40 0.251 -11.569 -8.039 1.00 0.00 C ATOM 587 OD1 ASN A 40 0.664 -12.627 -7.563 1.00 0.00 O ATOM 588 ND2 ASN A 40 -0.301 -11.494 -9.245 1.00 0.00 N ATOM 0 H ASN A 40 -1.944 -8.206 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.780 -10.367 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.485 -9.444 -7.953 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.227 -10.302 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.396 -12.334 -9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.630 -10.596 -9.600 1.00 0.00 H new ATOM 595 N LEU A 41 -1.454 -10.301 -4.059 1.00 0.00 N ATOM 596 CA LEU A 41 -1.450 -10.970 -2.763 1.00 0.00 C ATOM 597 C LEU A 41 -2.520 -12.056 -2.706 1.00 0.00 C ATOM 598 O LEU A 41 -3.706 -11.755 -2.591 1.00 0.00 O ATOM 599 CB LEU A 41 -1.705 -9.966 -1.641 1.00 0.00 C ATOM 600 CG LEU A 41 -0.479 -9.223 -1.126 1.00 0.00 C ATOM 601 CD1 LEU A 41 -0.883 -7.897 -0.520 1.00 0.00 C ATOM 602 CD2 LEU A 41 0.251 -10.058 -0.098 1.00 0.00 C ATOM 0 H LEU A 41 -1.985 -9.430 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.469 -11.426 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.430 -9.232 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.165 -10.493 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 41 0.189 -9.038 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.004 -7.378 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.376 -7.287 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.568 -8.070 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.124 -9.513 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.414 -10.267 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.570 -10.996 -0.551 1.00 0.00 H new ATOM 614 N SER A 42 -2.107 -13.320 -2.774 1.00 0.00 N ATOM 615 CA SER A 42 -3.063 -14.423 -2.712 1.00 0.00 C ATOM 616 C SER A 42 -3.802 -14.390 -1.376 1.00 0.00 C ATOM 617 O SER A 42 -3.256 -13.961 -0.366 1.00 0.00 O ATOM 618 CB SER A 42 -2.359 -15.770 -2.918 1.00 0.00 C ATOM 619 OG SER A 42 -1.233 -15.632 -3.771 1.00 0.00 O ATOM 0 H SER A 42 -1.132 -13.603 -2.871 1.00 0.00 H new ATOM 0 HA SER A 42 -3.789 -14.306 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.043 -16.170 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.058 -16.488 -3.347 1.00 0.00 H new ATOM 0 HG SER A 42 -0.800 -16.504 -3.885 1.00 0.00 H new ATOM 625 N ASP A 43 -5.049 -14.830 -1.374 1.00 0.00 N ATOM 626 CA ASP A 43 -5.851 -14.832 -0.158 1.00 0.00 C ATOM 627 C ASP A 43 -5.232 -15.704 0.922 1.00 0.00 C ATOM 628 O ASP A 43 -5.189 -15.333 2.095 1.00 0.00 O ATOM 629 CB ASP A 43 -7.280 -15.285 -0.468 1.00 0.00 C ATOM 630 CG ASP A 43 -8.316 -14.292 0.017 1.00 0.00 C ATOM 631 OD1 ASP A 43 -8.694 -14.361 1.206 1.00 0.00 O ATOM 632 OD2 ASP A 43 -8.747 -13.442 -0.790 1.00 0.00 O ATOM 0 H ASP A 43 -5.529 -15.190 -2.199 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.880 -13.812 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.389 -15.424 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.461 -16.253 -0.001 1.00 0.00 H new ATOM 637 N GLU A 44 -4.740 -16.854 0.510 1.00 0.00 N ATOM 638 CA GLU A 44 -4.107 -17.794 1.418 1.00 0.00 C ATOM 639 C GLU A 44 -2.849 -17.193 1.988 1.00 0.00 C ATOM 640 O GLU A 44 -2.627 -17.183 3.198 1.00 0.00 O ATOM 641 CB GLU A 44 -3.787 -19.100 0.680 1.00 0.00 C ATOM 642 CG GLU A 44 -2.319 -19.494 0.700 1.00 0.00 C ATOM 643 CD GLU A 44 -2.123 -20.985 0.899 1.00 0.00 C ATOM 644 OE1 GLU A 44 -2.601 -21.513 1.926 1.00 0.00 O ATOM 645 OE2 GLU A 44 -1.497 -21.623 0.029 1.00 0.00 O ATOM 0 H GLU A 44 -4.766 -17.165 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.791 -18.013 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.372 -19.906 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.110 -19.005 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.851 -19.191 -0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.811 -18.954 1.499 1.00 0.00 H new ATOM 652 N MET A 45 -2.037 -16.681 1.092 1.00 0.00 N ATOM 653 CA MET A 45 -0.793 -16.053 1.481 1.00 0.00 C ATOM 654 C MET A 45 -1.106 -14.815 2.304 1.00 0.00 C ATOM 655 O MET A 45 -0.419 -14.510 3.277 1.00 0.00 O ATOM 656 CB MET A 45 0.060 -15.722 0.252 1.00 0.00 C ATOM 657 CG MET A 45 -0.511 -14.624 -0.624 1.00 0.00 C ATOM 658 SD MET A 45 0.579 -13.203 -0.753 1.00 0.00 S ATOM 659 CE MET A 45 0.823 -12.829 0.980 1.00 0.00 C ATOM 0 H MET A 45 -2.215 -16.686 0.088 1.00 0.00 H new ATOM 0 HA MET A 45 -0.207 -16.740 2.091 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.055 -15.426 0.584 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.179 -16.625 -0.347 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.702 -15.022 -1.621 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.471 -14.305 -0.219 1.00 0.00 H new ATOM 0 HE1 MET A 45 1.601 -12.073 1.083 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.107 -12.453 1.405 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.124 -13.734 1.509 1.00 0.00 H new ATOM 669 N TYR A 46 -2.189 -14.135 1.931 1.00 0.00 N ATOM 670 CA TYR A 46 -2.643 -12.953 2.651 1.00 0.00 C ATOM 671 C TYR A 46 -3.192 -13.358 4.016 1.00 0.00 C ATOM 672 O TYR A 46 -3.103 -12.608 4.987 1.00 0.00 O ATOM 673 CB TYR A 46 -3.716 -12.216 1.850 1.00 0.00 C ATOM 674 CG TYR A 46 -3.901 -10.773 2.254 1.00 0.00 C ATOM 675 CD1 TYR A 46 -3.138 -9.771 1.673 1.00 0.00 C ATOM 676 CD2 TYR A 46 -4.850 -10.412 3.201 1.00 0.00 C ATOM 677 CE1 TYR A 46 -3.315 -8.450 2.023 1.00 0.00 C ATOM 678 CE2 TYR A 46 -5.030 -9.090 3.560 1.00 0.00 C ATOM 679 CZ TYR A 46 -4.260 -8.114 2.967 1.00 0.00 C ATOM 680 OH TYR A 46 -4.438 -6.796 3.316 1.00 0.00 O ATOM 0 H TYR A 46 -2.769 -14.386 1.130 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.796 -12.281 2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.457 -12.256 0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.665 -12.740 1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.394 -10.030 0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.457 -11.176 3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.715 -7.681 1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.770 -8.824 4.301 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.380 -6.551 3.200 1.00 0.00 H new ATOM 690 N GLU A 47 -3.764 -14.558 4.071 1.00 0.00 N ATOM 691 CA GLU A 47 -4.333 -15.087 5.306 1.00 0.00 C ATOM 692 C GLU A 47 -3.239 -15.472 6.289 1.00 0.00 C ATOM 693 O GLU A 47 -3.395 -15.323 7.502 1.00 0.00 O ATOM 694 CB GLU A 47 -5.209 -16.304 5.011 1.00 0.00 C ATOM 695 CG GLU A 47 -6.565 -15.951 4.430 1.00 0.00 C ATOM 696 CD GLU A 47 -7.699 -16.224 5.400 1.00 0.00 C ATOM 697 OE1 GLU A 47 -7.874 -15.432 6.350 1.00 0.00 O ATOM 698 OE2 GLU A 47 -8.410 -17.233 5.209 1.00 0.00 O ATOM 0 H GLU A 47 -3.846 -15.184 3.270 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.945 -14.304 5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.684 -16.958 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.354 -16.869 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.575 -14.897 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.726 -16.524 3.517 1.00 0.00 H new ATOM 705 N ILE A 48 -2.139 -15.990 5.761 1.00 0.00 N ATOM 706 CA ILE A 48 -1.032 -16.416 6.603 1.00 0.00 C ATOM 707 C ILE A 48 -0.515 -15.258 7.458 1.00 0.00 C ATOM 708 O ILE A 48 -0.237 -15.444 8.642 1.00 0.00 O ATOM 709 CB ILE A 48 0.109 -17.016 5.750 1.00 0.00 C ATOM 710 CG1 ILE A 48 -0.342 -18.346 5.141 1.00 0.00 C ATOM 711 CG2 ILE A 48 1.368 -17.219 6.581 1.00 0.00 C ATOM 712 CD1 ILE A 48 0.101 -18.536 3.709 1.00 0.00 C ATOM 0 H ILE A 48 -1.990 -16.124 4.761 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.402 -17.192 7.273 1.00 0.00 H new ATOM 0 HB ILE A 48 0.344 -16.314 4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.050 -19.164 5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.429 -18.407 5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.153 -17.642 5.954 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.699 -16.260 6.980 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.154 -17.900 7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.254 -19.499 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.312 -17.739 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.189 -18.507 3.658 1.00 0.00 H new ATOM 724 N LEU A 49 -0.417 -14.059 6.882 1.00 0.00 N ATOM 725 CA LEU A 49 0.041 -12.907 7.655 1.00 0.00 C ATOM 726 C LEU A 49 -1.005 -12.530 8.686 1.00 0.00 C ATOM 727 O LEU A 49 -0.691 -12.194 9.828 1.00 0.00 O ATOM 728 CB LEU A 49 0.341 -11.683 6.775 1.00 0.00 C ATOM 729 CG LEU A 49 0.967 -11.948 5.399 1.00 0.00 C ATOM 730 CD1 LEU A 49 1.792 -13.227 5.389 1.00 0.00 C ATOM 731 CD2 LEU A 49 -0.113 -11.997 4.335 1.00 0.00 C ATOM 0 H LEU A 49 -0.643 -13.863 5.907 1.00 0.00 H new ATOM 0 HA LEU A 49 0.971 -13.202 8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.591 -11.139 6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.009 -11.023 7.329 1.00 0.00 H new ATOM 0 HG LEU A 49 1.646 -11.125 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.217 -13.378 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.596 -13.147 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.154 -14.074 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.342 -12.186 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.817 -12.796 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.642 -11.044 4.309 1.00 0.00 H new ATOM 743 N SER A 50 -2.250 -12.572 8.249 1.00 0.00 N ATOM 744 CA SER A 50 -3.391 -12.227 9.089 1.00 0.00 C ATOM 745 C SER A 50 -3.627 -13.254 10.190 1.00 0.00 C ATOM 746 O SER A 50 -4.324 -12.980 11.167 1.00 0.00 O ATOM 747 CB SER A 50 -4.647 -12.089 8.230 1.00 0.00 C ATOM 748 OG SER A 50 -4.379 -11.356 7.047 1.00 0.00 O ATOM 0 H SER A 50 -2.503 -12.846 7.300 1.00 0.00 H new ATOM 0 HA SER A 50 -3.165 -11.276 9.571 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.024 -13.078 7.971 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.429 -11.589 8.802 1.00 0.00 H new ATOM 0 HG SER A 50 -3.976 -11.949 6.379 1.00 0.00 H new ATOM 754 N ASN A 51 -3.039 -14.437 10.032 1.00 0.00 N ATOM 755 CA ASN A 51 -3.179 -15.499 11.017 1.00 0.00 C ATOM 756 C ASN A 51 -1.975 -15.515 11.951 1.00 0.00 C ATOM 757 O ASN A 51 -2.059 -15.981 13.086 1.00 0.00 O ATOM 758 CB ASN A 51 -3.324 -16.851 10.319 1.00 0.00 C ATOM 759 CG ASN A 51 -4.746 -17.113 9.858 1.00 0.00 C ATOM 760 OD1 ASN A 51 -5.672 -17.167 10.666 1.00 0.00 O ATOM 761 ND2 ASN A 51 -4.925 -17.277 8.551 1.00 0.00 N ATOM 0 H ASN A 51 -2.460 -14.682 9.228 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.076 -15.312 11.607 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.654 -16.887 9.460 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.013 -17.644 11.000 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.859 -17.456 8.183 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.128 -17.224 7.917 1.00 0.00 H new ATOM 768 N LEU A 52 -0.861 -14.978 11.467 1.00 0.00 N ATOM 769 CA LEU A 52 0.356 -14.901 12.245 1.00 0.00 C ATOM 770 C LEU A 52 0.166 -13.981 13.433 1.00 0.00 C ATOM 771 O LEU A 52 -0.773 -13.187 13.487 1.00 0.00 O ATOM 772 CB LEU A 52 1.511 -14.413 11.373 1.00 0.00 C ATOM 773 CG LEU A 52 2.260 -15.516 10.624 1.00 0.00 C ATOM 774 CD1 LEU A 52 2.559 -15.080 9.201 1.00 0.00 C ATOM 775 CD2 LEU A 52 3.543 -15.882 11.355 1.00 0.00 C ATOM 0 H LEU A 52 -0.782 -14.587 10.528 1.00 0.00 H new ATOM 0 HA LEU A 52 0.596 -15.898 12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.123 -13.699 10.647 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.220 -13.874 12.002 1.00 0.00 H new ATOM 0 HG LEU A 52 1.625 -16.401 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.092 -15.876 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.624 -14.870 8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.175 -14.181 9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.062 -16.668 10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.185 -15.004 11.425 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.302 -16.236 12.357 1.00 0.00 H new ATOM 787 N PRO A 53 1.066 -14.094 14.403 1.00 0.00 N ATOM 788 CA PRO A 53 1.036 -13.296 15.623 1.00 0.00 C ATOM 789 C PRO A 53 1.680 -11.922 15.444 1.00 0.00 C ATOM 790 O PRO A 53 2.037 -11.267 16.422 1.00 0.00 O ATOM 791 CB PRO A 53 1.854 -14.161 16.570 1.00 0.00 C ATOM 792 CG PRO A 53 2.899 -14.752 15.691 1.00 0.00 C ATOM 793 CD PRO A 53 2.208 -15.025 14.381 1.00 0.00 C ATOM 0 HA PRO A 53 0.025 -13.073 15.965 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.294 -13.570 17.374 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.242 -14.932 17.039 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.736 -14.066 15.559 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.303 -15.668 16.121 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.865 -14.836 13.532 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.881 -16.062 14.307 1.00 0.00 H new ATOM 801 N GLU A 54 1.827 -11.503 14.183 1.00 0.00 N ATOM 802 CA GLU A 54 2.425 -10.212 13.837 1.00 0.00 C ATOM 803 C GLU A 54 3.948 -10.293 13.825 1.00 0.00 C ATOM 804 O GLU A 54 4.632 -9.270 13.787 1.00 0.00 O ATOM 805 CB GLU A 54 1.951 -9.088 14.769 1.00 0.00 C ATOM 806 CG GLU A 54 0.677 -8.409 14.292 1.00 0.00 C ATOM 807 CD GLU A 54 0.951 -7.149 13.494 1.00 0.00 C ATOM 808 OE1 GLU A 54 2.011 -7.083 12.837 1.00 0.00 O ATOM 809 OE2 GLU A 54 0.105 -6.229 13.526 1.00 0.00 O ATOM 0 H GLU A 54 1.534 -12.051 13.374 1.00 0.00 H new ATOM 0 HA GLU A 54 2.086 -9.968 12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.785 -9.497 15.766 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.741 -8.342 14.858 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.106 -9.106 13.679 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.057 -8.161 15.154 1.00 0.00 H new ATOM 816 N SER A 55 4.478 -11.513 13.845 1.00 0.00 N ATOM 817 CA SER A 55 5.920 -11.716 13.827 1.00 0.00 C ATOM 818 C SER A 55 6.507 -11.246 12.498 1.00 0.00 C ATOM 819 O SER A 55 7.637 -10.761 12.444 1.00 0.00 O ATOM 820 CB SER A 55 6.251 -13.192 14.062 1.00 0.00 C ATOM 821 OG SER A 55 7.146 -13.348 15.150 1.00 0.00 O ATOM 0 H SER A 55 3.930 -12.373 13.874 1.00 0.00 H new ATOM 0 HA SER A 55 6.364 -11.127 14.630 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.334 -13.746 14.260 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.692 -13.617 13.160 1.00 0.00 H new ATOM 0 HG SER A 55 7.340 -14.300 15.280 1.00 0.00 H new ATOM 827 N VAL A 56 5.723 -11.381 11.433 1.00 0.00 N ATOM 828 CA VAL A 56 6.139 -10.964 10.119 1.00 0.00 C ATOM 829 C VAL A 56 5.909 -9.480 9.946 1.00 0.00 C ATOM 830 O VAL A 56 5.447 -8.785 10.850 1.00 0.00 O ATOM 831 CB VAL A 56 5.370 -11.713 9.005 1.00 0.00 C ATOM 832 CG1 VAL A 56 6.224 -11.860 7.753 1.00 0.00 C ATOM 833 CG2 VAL A 56 4.904 -13.074 9.487 1.00 0.00 C ATOM 0 H VAL A 56 4.786 -11.783 11.467 1.00 0.00 H new ATOM 0 HA VAL A 56 7.200 -11.199 10.031 1.00 0.00 H new ATOM 0 HB VAL A 56 4.492 -11.118 8.753 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.658 -12.390 6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.500 -10.873 7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.126 -12.423 7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.366 -13.580 8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.767 -13.672 9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.243 -12.950 10.345 1.00 0.00 H new ATOM 843 N ALA A 57 6.218 -9.027 8.763 1.00 0.00 N ATOM 844 CA ALA A 57 6.049 -7.639 8.384 1.00 0.00 C ATOM 845 C ALA A 57 5.685 -7.543 6.910 1.00 0.00 C ATOM 846 O ALA A 57 6.356 -8.132 6.062 1.00 0.00 O ATOM 847 CB ALA A 57 7.318 -6.849 8.672 1.00 0.00 C ATOM 0 H ALA A 57 6.600 -9.613 8.021 1.00 0.00 H new ATOM 0 HA ALA A 57 5.239 -7.211 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.173 -5.809 8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.544 -6.900 9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.147 -7.272 8.104 1.00 0.00 H new ATOM 853 N TYR A 58 4.637 -6.795 6.598 1.00 0.00 N ATOM 854 CA TYR A 58 4.232 -6.634 5.216 1.00 0.00 C ATOM 855 C TYR A 58 4.851 -5.378 4.655 1.00 0.00 C ATOM 856 O TYR A 58 4.581 -4.277 5.121 1.00 0.00 O ATOM 857 CB TYR A 58 2.711 -6.587 5.080 1.00 0.00 C ATOM 858 CG TYR A 58 2.236 -6.357 3.662 1.00 0.00 C ATOM 859 CD1 TYR A 58 2.257 -5.087 3.106 1.00 0.00 C ATOM 860 CD2 TYR A 58 1.751 -7.404 2.888 1.00 0.00 C ATOM 861 CE1 TYR A 58 1.809 -4.861 1.822 1.00 0.00 C ATOM 862 CE2 TYR A 58 1.304 -7.185 1.599 1.00 0.00 C ATOM 863 CZ TYR A 58 1.334 -5.909 1.072 1.00 0.00 C ATOM 864 OH TYR A 58 0.882 -5.677 -0.205 1.00 0.00 O ATOM 0 H TYR A 58 4.060 -6.297 7.276 1.00 0.00 H new ATOM 0 HA TYR A 58 4.583 -7.497 4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.293 -7.524 5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.322 -5.793 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.631 -4.259 3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.723 -8.402 3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.831 -3.864 1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.933 -8.008 1.006 1.00 0.00 H new ATOM 0 HH TYR A 58 1.368 -4.919 -0.591 1.00 0.00 H new ATOM 874 N THR A 59 5.697 -5.553 3.660 1.00 0.00 N ATOM 875 CA THR A 59 6.367 -4.430 3.042 1.00 0.00 C ATOM 876 C THR A 59 5.798 -4.167 1.660 1.00 0.00 C ATOM 877 O THR A 59 5.636 -5.085 0.855 1.00 0.00 O ATOM 878 CB THR A 59 7.878 -4.652 2.976 1.00 0.00 C ATOM 879 OG1 THR A 59 8.272 -5.694 3.851 1.00 0.00 O ATOM 880 CG2 THR A 59 8.667 -3.416 3.354 1.00 0.00 C ATOM 0 H THR A 59 5.936 -6.462 3.263 1.00 0.00 H new ATOM 0 HA THR A 59 6.190 -3.550 3.661 1.00 0.00 H new ATOM 0 HB THR A 59 8.094 -4.909 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.242 -5.821 3.792 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.734 -3.631 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.419 -2.603 2.671 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.417 -3.123 4.374 1.00 0.00 H new ATOM 888 N CYS A 60 5.474 -2.912 1.401 1.00 0.00 N ATOM 889 CA CYS A 60 4.897 -2.522 0.132 1.00 0.00 C ATOM 890 C CYS A 60 5.970 -2.496 -0.946 1.00 0.00 C ATOM 891 O CYS A 60 7.163 -2.461 -0.652 1.00 0.00 O ATOM 892 CB CYS A 60 4.209 -1.159 0.268 1.00 0.00 C ATOM 893 SG CYS A 60 5.339 0.229 0.519 1.00 0.00 S ATOM 0 H CYS A 60 5.603 -2.143 2.059 1.00 0.00 H new ATOM 0 HA CYS A 60 4.145 -3.253 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.619 -0.973 -0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.512 -1.200 1.105 1.00 0.00 H new ATOM 898 N VAL A 61 5.534 -2.555 -2.192 1.00 0.00 N ATOM 899 CA VAL A 61 6.448 -2.589 -3.323 1.00 0.00 C ATOM 900 C VAL A 61 7.472 -1.455 -3.284 1.00 0.00 C ATOM 901 O VAL A 61 8.647 -1.666 -3.589 1.00 0.00 O ATOM 902 CB VAL A 61 5.673 -2.519 -4.651 1.00 0.00 C ATOM 903 CG1 VAL A 61 4.727 -1.330 -4.652 1.00 0.00 C ATOM 904 CG2 VAL A 61 6.628 -2.450 -5.831 1.00 0.00 C ATOM 0 H VAL A 61 4.547 -2.581 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 61 6.986 -3.534 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 61 5.081 -3.429 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.187 -1.295 -5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.016 -1.430 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.298 -0.410 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.057 -2.401 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.253 -1.561 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.260 -3.338 -5.840 1.00 0.00 H new ATOM 914 N ASN A 62 7.032 -0.259 -2.930 1.00 0.00 N ATOM 915 CA ASN A 62 7.933 0.887 -2.884 1.00 0.00 C ATOM 916 C ASN A 62 9.017 0.701 -1.836 1.00 0.00 C ATOM 917 O ASN A 62 10.193 0.972 -2.086 1.00 0.00 O ATOM 918 CB ASN A 62 7.152 2.174 -2.618 1.00 0.00 C ATOM 919 CG ASN A 62 7.873 3.404 -3.132 1.00 0.00 C ATOM 920 OD1 ASN A 62 8.021 4.395 -2.416 1.00 0.00 O ATOM 921 ND2 ASN A 62 8.322 3.349 -4.379 1.00 0.00 N ATOM 0 H ASN A 62 6.067 -0.054 -2.672 1.00 0.00 H new ATOM 0 HA ASN A 62 8.418 0.965 -3.857 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.173 2.106 -3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.981 2.277 -1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.812 4.148 -4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.177 2.507 -4.937 1.00 0.00 H new ATOM 928 N CYS A 63 8.621 0.225 -0.674 1.00 0.00 N ATOM 929 CA CYS A 63 9.556 -0.021 0.406 1.00 0.00 C ATOM 930 C CYS A 63 10.459 -1.182 0.039 1.00 0.00 C ATOM 931 O CYS A 63 11.661 -1.172 0.308 1.00 0.00 O ATOM 932 CB CYS A 63 8.804 -0.324 1.695 1.00 0.00 C ATOM 933 SG CYS A 63 8.209 1.151 2.547 1.00 0.00 S ATOM 0 H CYS A 63 7.651 -0.001 -0.452 1.00 0.00 H new ATOM 0 HA CYS A 63 10.164 0.870 0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.956 -0.969 1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.458 -0.882 2.365 1.00 0.00 H new ATOM 938 N THR A 64 9.852 -2.185 -0.581 1.00 0.00 N ATOM 939 CA THR A 64 10.562 -3.376 -1.006 1.00 0.00 C ATOM 940 C THR A 64 11.403 -3.100 -2.261 1.00 0.00 C ATOM 941 O THR A 64 12.143 -3.965 -2.727 1.00 0.00 O ATOM 942 CB THR A 64 9.547 -4.509 -1.222 1.00 0.00 C ATOM 943 OG1 THR A 64 9.592 -5.435 -0.149 1.00 0.00 O ATOM 944 CG2 THR A 64 9.737 -5.289 -2.497 1.00 0.00 C ATOM 0 H THR A 64 8.856 -2.193 -0.801 1.00 0.00 H new ATOM 0 HA THR A 64 11.264 -3.683 -0.231 1.00 0.00 H new ATOM 0 HB THR A 64 8.585 -4.000 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.937 -6.148 -0.304 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.976 -6.067 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.646 -4.618 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.726 -5.747 -2.499 1.00 0.00 H new ATOM 952 N GLU A 65 11.295 -1.882 -2.797 1.00 0.00 N ATOM 953 CA GLU A 65 12.053 -1.498 -3.988 1.00 0.00 C ATOM 954 C GLU A 65 13.552 -1.478 -3.696 1.00 0.00 C ATOM 955 O GLU A 65 14.081 -0.487 -3.190 1.00 0.00 O ATOM 956 CB GLU A 65 11.609 -0.118 -4.484 1.00 0.00 C ATOM 957 CG GLU A 65 11.670 0.036 -5.995 1.00 0.00 C ATOM 958 CD GLU A 65 12.771 0.980 -6.436 1.00 0.00 C ATOM 959 OE1 GLU A 65 13.911 0.512 -6.635 1.00 0.00 O ATOM 960 OE2 GLU A 65 12.494 2.190 -6.578 1.00 0.00 O ATOM 0 H GLU A 65 10.692 -1.148 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 65 11.856 -2.239 -4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.588 0.068 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.239 0.644 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.829 -0.941 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.711 0.405 -6.359 1.00 0.00 H new ATOM 967 N ARG A 66 14.231 -2.573 -4.021 1.00 0.00 N ATOM 968 CA ARG A 66 15.671 -2.677 -3.793 1.00 0.00 C ATOM 969 C ARG A 66 16.248 -3.894 -4.506 1.00 0.00 C ATOM 970 O ARG A 66 17.175 -3.778 -5.308 1.00 0.00 O ATOM 971 CB ARG A 66 15.958 -2.768 -2.298 1.00 0.00 C ATOM 972 CG ARG A 66 17.430 -2.621 -1.937 1.00 0.00 C ATOM 973 CD ARG A 66 17.672 -1.377 -1.090 1.00 0.00 C ATOM 974 NE ARG A 66 18.092 -1.694 0.280 1.00 0.00 N ATOM 975 CZ ARG A 66 17.429 -2.502 1.115 1.00 0.00 C ATOM 976 NH1 ARG A 66 16.281 -3.063 0.760 1.00 0.00 N ATOM 977 NH2 ARG A 66 17.902 -2.728 2.330 1.00 0.00 N ATOM 0 H ARG A 66 13.810 -3.401 -4.443 1.00 0.00 H new ATOM 0 HA ARG A 66 16.146 -1.783 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.390 -1.994 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.598 -3.728 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.763 -3.505 -1.392 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.026 -2.565 -2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.436 -0.762 -1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.759 -0.783 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 66 18.953 -1.267 0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.889 -2.881 -0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.790 -3.676 1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.771 -2.286 2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.397 -3.344 2.967 1.00 0.00 H new ATOM 991 N HIS A 67 15.696 -5.065 -4.201 1.00 0.00 N ATOM 992 CA HIS A 67 16.158 -6.306 -4.810 1.00 0.00 C ATOM 993 C HIS A 67 15.563 -6.476 -6.204 1.00 0.00 C ATOM 994 O HIS A 67 15.276 -7.591 -6.637 1.00 0.00 O ATOM 995 CB HIS A 67 15.786 -7.503 -3.932 1.00 0.00 C ATOM 996 CG HIS A 67 14.311 -7.673 -3.744 1.00 0.00 C ATOM 997 ND1 HIS A 67 13.555 -8.555 -4.488 1.00 0.00 N ATOM 998 CD2 HIS A 67 13.450 -7.071 -2.890 1.00 0.00 C ATOM 999 CE1 HIS A 67 12.293 -8.487 -4.101 1.00 0.00 C ATOM 1000 NE2 HIS A 67 12.203 -7.595 -3.134 1.00 0.00 N ATOM 0 H HIS A 67 14.930 -5.179 -3.537 1.00 0.00 H new ATOM 0 HA HIS A 67 17.243 -6.258 -4.899 1.00 0.00 H new ATOM 0 HB2 HIS A 67 16.194 -8.410 -4.377 1.00 0.00 H new ATOM 0 HB3 HIS A 67 16.257 -7.387 -2.956 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.914 -9.165 -5.223 1.00 0.00 H new ATOM 0 HD2 HIS A 67 13.697 -6.320 -2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.475 -9.064 -4.507 1.00 0.00 H new TER 1009 HIS A 67 HETATM 1010 ZN ZN A 81 -4.556 -1.327 -7.315 1.00 0.00 ZN HETATM 1011 ZN ZN A 82 6.020 0.571 2.704 1.00 0.00 ZN