USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 283 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ -171:sc= 1.4 (180deg=0.396) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0.76 USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 2.21 (180deg=2.19) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.436 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 1.02 K(o=1,f=-6.8!) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 2.47 (180deg=2.26) USER MOD Single : A 20 GLN : amide:sc=-0.00462 K(o=-0.0046,f=0.65) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.07 (180deg=0.972) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 0.674 (180deg=0.224) USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 2.981 2.201 -2.346 1.00 1.00 N ATOM 18 CA VAL A 2 3.179 3.496 -2.916 1.00 1.00 C ATOM 19 C VAL A 2 3.215 3.099 -4.365 1.00 1.00 C ATOM 20 O VAL A 2 3.754 2.051 -4.712 1.00 1.00 O ATOM 21 CB VAL A 2 4.500 4.160 -2.533 1.00 1.00 C ATOM 22 CG1 VAL A 2 4.625 5.535 -3.225 1.00 1.00 C ATOM 23 CG2 VAL A 2 4.581 4.299 -1.000 1.00 1.00 C ATOM 0 HA VAL A 2 2.433 4.227 -2.604 1.00 1.00 H new ATOM 0 HB VAL A 2 5.331 3.540 -2.869 1.00 1.00 H new ATOM 0 HG11 VAL A 2 5.571 5.999 -2.944 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.593 5.402 -4.306 1.00 1.00 H new ATOM 0 HG13 VAL A 2 3.800 6.176 -2.913 1.00 1.00 H new ATOM 0 HG21 VAL A 2 5.524 4.773 -0.727 1.00 1.00 H new ATOM 0 HG22 VAL A 2 3.751 4.911 -0.646 1.00 1.00 H new ATOM 0 HG23 VAL A 2 4.525 3.312 -0.542 1.00 1.00 H new ATOM 33 N ILE A 3 2.568 3.882 -5.206 1.00 1.00 N ATOM 34 CA ILE A 3 2.426 3.773 -6.603 1.00 1.00 C ATOM 35 C ILE A 3 2.662 5.196 -7.046 1.00 1.00 C ATOM 36 O ILE A 3 2.478 6.149 -6.286 1.00 1.00 O ATOM 37 CB ILE A 3 0.997 3.391 -6.979 1.00 1.00 C ATOM 38 CG1 ILE A 3 -0.009 3.532 -5.810 1.00 1.00 C ATOM 39 CG2 ILE A 3 1.032 1.973 -7.573 1.00 1.00 C ATOM 40 CD1 ILE A 3 -1.470 3.409 -6.263 1.00 1.00 C ATOM 0 H ILE A 3 2.077 4.705 -4.858 1.00 1.00 H new ATOM 0 HA ILE A 3 3.086 3.025 -7.042 1.00 1.00 H new ATOM 0 HB ILE A 3 0.622 4.094 -7.723 1.00 1.00 H new ATOM 0 HG12 ILE A 3 0.200 2.767 -5.063 1.00 1.00 H new ATOM 0 HG13 ILE A 3 0.136 4.498 -5.326 1.00 1.00 H new ATOM 0 HG21 ILE A 3 0.023 1.671 -7.852 1.00 1.00 H new ATOM 0 HG22 ILE A 3 1.671 1.964 -8.456 1.00 1.00 H new ATOM 0 HG23 ILE A 3 1.427 1.278 -6.832 1.00 1.00 H new ATOM 0 HD11 ILE A 3 -2.128 3.516 -5.401 1.00 1.00 H new ATOM 0 HD12 ILE A 3 -1.693 4.191 -6.989 1.00 1.00 H new ATOM 0 HD13 ILE A 3 -1.628 2.433 -6.721 1.00 1.00 H new ATOM 52 N ASP A 4 3.022 5.370 -8.314 1.00 1.00 N ATOM 53 CA ASP A 4 3.169 6.635 -8.989 1.00 1.00 C ATOM 54 C ASP A 4 1.894 7.053 -9.707 1.00 1.00 C ATOM 55 O ASP A 4 1.871 7.610 -10.808 1.00 1.00 O ATOM 56 CB ASP A 4 4.430 6.648 -9.894 1.00 1.00 C ATOM 57 CG ASP A 4 5.174 7.947 -9.713 1.00 1.00 C ATOM 58 OD1 ASP A 4 4.559 9.042 -9.825 1.00 1.00 O ATOM 59 OD2 ASP A 4 6.373 7.906 -9.355 1.00 1.00 O ATOM 0 H ASP A 4 3.229 4.580 -8.925 1.00 1.00 H new ATOM 0 HA ASP A 4 3.333 7.402 -8.232 1.00 1.00 H new ATOM 0 HB2 ASP A 4 5.078 5.809 -9.642 1.00 1.00 H new ATOM 0 HB3 ASP A 4 4.141 6.526 -10.938 1.00 1.00 H new ATOM 64 N VAL A 5 0.782 6.832 -9.002 1.00 1.00 N ATOM 65 CA VAL A 5 -0.530 7.307 -9.342 1.00 1.00 C ATOM 66 C VAL A 5 -0.708 8.573 -8.540 1.00 1.00 C ATOM 67 O VAL A 5 -0.436 8.616 -7.337 1.00 1.00 O ATOM 68 CB VAL A 5 -1.648 6.314 -9.075 1.00 1.00 C ATOM 69 CG1 VAL A 5 -3.002 6.919 -9.499 1.00 1.00 C ATOM 70 CG2 VAL A 5 -1.382 5.030 -9.885 1.00 1.00 C ATOM 0 H VAL A 5 0.790 6.289 -8.139 1.00 1.00 H new ATOM 0 HA VAL A 5 -0.598 7.473 -10.417 1.00 1.00 H new ATOM 0 HB VAL A 5 -1.682 6.082 -8.011 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -3.798 6.201 -9.304 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -3.188 7.830 -8.930 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -2.978 7.155 -10.563 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -2.180 4.311 -9.700 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -1.350 5.270 -10.948 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -0.428 4.599 -9.581 1.00 1.00 H new ATOM 80 N LYS A 6 -1.060 9.664 -9.231 1.00 1.00 N ATOM 81 CA LYS A 6 -0.817 10.997 -8.737 1.00 1.00 C ATOM 82 C LYS A 6 -2.109 11.661 -8.313 1.00 1.00 C ATOM 83 O LYS A 6 -3.162 11.483 -8.923 1.00 1.00 O ATOM 84 CB LYS A 6 -0.018 11.830 -9.770 1.00 1.00 C ATOM 85 CG LYS A 6 1.020 10.969 -10.510 1.00 1.00 C ATOM 86 CD LYS A 6 2.089 11.772 -11.267 1.00 1.00 C ATOM 87 CE LYS A 6 2.781 10.999 -12.406 1.00 1.00 C ATOM 88 NZ LYS A 6 3.253 9.671 -11.974 1.00 1.00 N ATOM 0 H LYS A 6 -1.518 9.633 -10.142 1.00 1.00 H new ATOM 0 HA LYS A 6 -0.196 10.933 -7.843 1.00 1.00 H new ATOM 0 HB2 LYS A 6 -0.705 12.273 -10.491 1.00 1.00 H new ATOM 0 HB3 LYS A 6 0.486 12.653 -9.263 1.00 1.00 H new ATOM 0 HG2 LYS A 6 1.515 10.319 -9.789 1.00 1.00 H new ATOM 0 HG3 LYS A 6 0.500 10.323 -11.217 1.00 1.00 H new ATOM 0 HD2 LYS A 6 1.627 12.668 -11.681 1.00 1.00 H new ATOM 0 HD3 LYS A 6 2.847 12.104 -10.557 1.00 1.00 H new ATOM 0 HE2 LYS A 6 2.086 10.882 -13.238 1.00 1.00 H new ATOM 0 HE3 LYS A 6 3.626 11.580 -12.776 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 3.785 9.223 -12.747 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 3.870 9.775 -11.144 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 2.437 9.076 -11.726 1.00 1.00 H new ATOM 102 N CYS A 7 -2.063 12.398 -7.199 1.00 1.00 N ATOM 103 CA CYS A 7 -3.246 12.890 -6.546 1.00 1.00 C ATOM 104 C CYS A 7 -3.160 14.305 -6.045 1.00 1.00 C ATOM 105 O CYS A 7 -2.104 14.841 -5.725 1.00 1.00 O ATOM 106 CB CYS A 7 -3.624 12.003 -5.335 1.00 1.00 C ATOM 107 SG CYS A 7 -2.199 11.406 -4.374 1.00 1.00 S ATOM 0 H CYS A 7 -1.194 12.663 -6.735 1.00 1.00 H new ATOM 0 HA CYS A 7 -4.001 12.859 -7.332 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -4.281 12.569 -4.675 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -4.193 11.144 -5.691 1.00 1.00 H new ATOM 112 N THR A 8 -4.357 14.899 -5.913 1.00 1.00 N ATOM 113 CA THR A 8 -4.617 16.096 -5.122 1.00 1.00 C ATOM 114 C THR A 8 -5.412 15.728 -3.890 1.00 1.00 C ATOM 115 O THR A 8 -5.373 16.361 -2.841 1.00 1.00 O ATOM 116 CB THR A 8 -5.377 17.138 -5.931 1.00 1.00 C ATOM 117 OG1 THR A 8 -4.578 17.564 -7.021 1.00 1.00 O ATOM 118 CG2 THR A 8 -5.696 18.401 -5.123 1.00 1.00 C ATOM 0 H THR A 8 -5.194 14.541 -6.373 1.00 1.00 H new ATOM 0 HA THR A 8 -3.659 16.526 -4.829 1.00 1.00 H new ATOM 0 HB THR A 8 -6.305 16.660 -6.245 1.00 1.00 H new ATOM 0 HG1 THR A 8 -5.067 18.234 -7.543 1.00 1.00 H new ATOM 0 HG21 THR A 8 -6.238 19.108 -5.751 1.00 1.00 H new ATOM 0 HG22 THR A 8 -6.309 18.137 -4.262 1.00 1.00 H new ATOM 0 HG23 THR A 8 -4.768 18.858 -4.781 1.00 1.00 H new ATOM 126 N SER A 9 -6.171 14.637 -3.996 1.00 1.00 N ATOM 127 CA SER A 9 -7.187 14.252 -3.028 1.00 1.00 C ATOM 128 C SER A 9 -6.914 12.860 -2.495 1.00 1.00 C ATOM 129 O SER A 9 -6.341 12.044 -3.218 1.00 1.00 O ATOM 130 CB SER A 9 -8.595 14.231 -3.697 1.00 1.00 C ATOM 131 OG SER A 9 -9.673 14.009 -2.780 1.00 1.00 O ATOM 0 H SER A 9 -6.091 13.985 -4.776 1.00 1.00 H new ATOM 0 HA SER A 9 -7.160 14.980 -2.218 1.00 1.00 H new ATOM 0 HB2 SER A 9 -8.757 15.180 -4.209 1.00 1.00 H new ATOM 0 HB3 SER A 9 -8.613 13.451 -4.458 1.00 1.00 H new ATOM 0 HG SER A 9 -10.523 14.010 -3.268 1.00 1.00 H new ATOM 137 N PRO A 10 -7.345 12.477 -1.296 1.00 1.00 N ATOM 138 CA PRO A 10 -7.469 11.068 -0.937 1.00 1.00 C ATOM 139 C PRO A 10 -8.524 10.354 -1.753 1.00 1.00 C ATOM 140 O PRO A 10 -8.420 9.152 -1.966 1.00 1.00 O ATOM 141 CB PRO A 10 -7.862 11.111 0.536 1.00 1.00 C ATOM 142 CG PRO A 10 -8.547 12.466 0.728 1.00 1.00 C ATOM 143 CD PRO A 10 -7.748 13.368 -0.200 1.00 1.00 C ATOM 0 HA PRO A 10 -6.549 10.516 -1.128 1.00 1.00 H new ATOM 0 HB2 PRO A 10 -8.534 10.291 0.789 1.00 1.00 H new ATOM 0 HB3 PRO A 10 -6.988 11.017 1.180 1.00 1.00 H new ATOM 0 HG2 PRO A 10 -9.601 12.431 0.453 1.00 1.00 H new ATOM 0 HG3 PRO A 10 -8.499 12.803 1.763 1.00 1.00 H new ATOM 0 HD2 PRO A 10 -8.350 14.201 -0.563 1.00 1.00 H new ATOM 0 HD3 PRO A 10 -6.883 13.796 0.306 1.00 1.00 H new ATOM 151 N LYS A 11 -9.559 11.052 -2.255 1.00 1.00 N ATOM 152 CA LYS A 11 -10.667 10.377 -2.919 1.00 1.00 C ATOM 153 C LYS A 11 -10.235 9.640 -4.174 1.00 1.00 C ATOM 154 O LYS A 11 -10.440 8.440 -4.341 1.00 1.00 O ATOM 155 CB LYS A 11 -11.871 11.320 -3.188 1.00 1.00 C ATOM 156 CG LYS A 11 -13.132 10.548 -3.631 1.00 1.00 C ATOM 157 CD LYS A 11 -14.441 11.365 -3.608 1.00 1.00 C ATOM 158 CE LYS A 11 -14.559 12.414 -4.718 1.00 1.00 C ATOM 159 NZ LYS A 11 -15.907 13.032 -4.697 1.00 1.00 N ATOM 0 H LYS A 11 -9.643 12.068 -2.210 1.00 1.00 H new ATOM 0 HA LYS A 11 -11.015 9.621 -2.215 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -12.094 11.888 -2.285 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -11.600 12.041 -3.959 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -12.973 10.173 -4.642 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -13.253 9.679 -2.984 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -15.284 10.678 -3.685 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -14.524 11.865 -2.643 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -13.797 13.182 -4.585 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -14.379 11.950 -5.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -15.975 13.742 -5.454 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -16.628 12.297 -4.845 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -16.064 13.491 -3.777 1.00 1.00 H new ATOM 173 N GLN A 12 -9.493 10.353 -5.035 1.00 1.00 N ATOM 174 CA GLN A 12 -8.896 9.832 -6.256 1.00 1.00 C ATOM 175 C GLN A 12 -7.778 8.821 -6.008 1.00 1.00 C ATOM 176 O GLN A 12 -7.260 8.202 -6.929 1.00 1.00 O ATOM 177 CB GLN A 12 -8.358 10.995 -7.129 1.00 1.00 C ATOM 178 CG GLN A 12 -7.057 11.649 -6.620 1.00 1.00 C ATOM 179 CD GLN A 12 -6.748 12.915 -7.405 1.00 1.00 C ATOM 180 OE1 GLN A 12 -6.801 14.002 -6.828 1.00 1.00 O ATOM 181 NE2 GLN A 12 -6.384 12.794 -8.695 1.00 1.00 N ATOM 0 H GLN A 12 -9.290 11.342 -4.887 1.00 1.00 H new ATOM 0 HA GLN A 12 -9.692 9.301 -6.778 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -8.187 10.622 -8.139 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -9.129 11.763 -7.199 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -7.154 11.887 -5.561 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -6.230 10.946 -6.714 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -6.354 11.873 -9.132 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -6.138 13.623 -9.235 1.00 1.00 H new ATOM 190 N CYS A 13 -7.404 8.619 -4.732 1.00 1.00 N ATOM 191 CA CYS A 13 -6.403 7.670 -4.303 1.00 1.00 C ATOM 192 C CYS A 13 -7.062 6.311 -4.047 1.00 1.00 C ATOM 193 O CYS A 13 -6.468 5.233 -4.190 1.00 1.00 O ATOM 194 CB CYS A 13 -5.772 8.264 -3.027 1.00 1.00 C ATOM 195 SG CYS A 13 -3.983 8.468 -2.979 1.00 1.00 S ATOM 0 H CYS A 13 -7.815 9.139 -3.956 1.00 1.00 H new ATOM 0 HA CYS A 13 -5.632 7.503 -5.056 1.00 1.00 H new ATOM 0 HB2 CYS A 13 -6.223 9.241 -2.856 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -6.058 7.630 -2.188 1.00 1.00 H new ATOM 200 N LEU A 14 -8.367 6.330 -3.682 1.00 1.00 N ATOM 201 CA LEU A 14 -9.066 5.140 -3.261 1.00 1.00 C ATOM 202 C LEU A 14 -9.331 4.131 -4.372 1.00 1.00 C ATOM 203 O LEU A 14 -9.030 2.961 -4.130 1.00 1.00 O ATOM 204 CB LEU A 14 -10.341 5.494 -2.458 1.00 1.00 C ATOM 205 CG LEU A 14 -10.970 4.319 -1.676 1.00 1.00 C ATOM 206 CD1 LEU A 14 -10.025 3.772 -0.594 1.00 1.00 C ATOM 207 CD2 LEU A 14 -12.293 4.763 -1.037 1.00 1.00 C ATOM 0 H LEU A 14 -8.940 7.174 -3.679 1.00 1.00 H new ATOM 0 HA LEU A 14 -8.382 4.618 -2.592 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -10.099 6.290 -1.754 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -11.086 5.892 -3.146 1.00 1.00 H new ATOM 0 HG LEU A 14 -11.155 3.515 -2.388 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -10.510 2.948 -0.071 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -9.106 3.416 -1.060 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.788 4.564 0.117 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -12.730 3.929 -0.488 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -12.107 5.590 -0.352 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -12.983 5.085 -1.816 1.00 1.00 H new ATOM 219 N PRO A 15 -9.831 4.428 -5.575 1.00 1.00 N ATOM 220 CA PRO A 15 -9.915 3.433 -6.637 1.00 1.00 C ATOM 221 C PRO A 15 -8.571 2.879 -7.123 1.00 1.00 C ATOM 222 O PRO A 15 -8.610 1.680 -7.394 1.00 1.00 O ATOM 223 CB PRO A 15 -10.778 4.087 -7.731 1.00 1.00 C ATOM 224 CG PRO A 15 -10.732 5.599 -7.468 1.00 1.00 C ATOM 225 CD PRO A 15 -10.337 5.740 -5.995 1.00 1.00 C ATOM 0 HA PRO A 15 -10.375 2.516 -6.269 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -10.392 3.853 -8.723 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -11.802 3.716 -7.692 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -10.008 6.090 -8.118 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -11.700 6.062 -7.662 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -9.575 6.509 -5.869 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -11.193 6.038 -5.390 1.00 1.00 H new ATOM 233 N PRO A 16 -7.393 3.513 -7.255 1.00 1.00 N ATOM 234 CA PRO A 16 -6.161 2.784 -7.530 1.00 1.00 C ATOM 235 C PRO A 16 -5.743 1.916 -6.378 1.00 1.00 C ATOM 236 O PRO A 16 -5.314 0.783 -6.578 1.00 1.00 O ATOM 237 CB PRO A 16 -5.107 3.857 -7.852 1.00 1.00 C ATOM 238 CG PRO A 16 -5.705 5.181 -7.381 1.00 1.00 C ATOM 239 CD PRO A 16 -7.216 4.949 -7.446 1.00 1.00 C ATOM 0 HA PRO A 16 -6.293 2.093 -8.362 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -4.167 3.648 -7.341 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -4.890 3.884 -8.920 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -5.382 5.427 -6.369 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.400 6.007 -8.023 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -7.735 5.516 -6.673 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.623 5.272 -8.404 1.00 1.00 H new ATOM 247 N CYS A 17 -5.881 2.385 -5.133 1.00 1.00 N ATOM 248 CA CYS A 17 -5.592 1.532 -4.002 1.00 1.00 C ATOM 249 C CYS A 17 -6.478 0.295 -3.936 1.00 1.00 C ATOM 250 O CYS A 17 -6.061 -0.787 -3.557 1.00 1.00 O ATOM 251 CB CYS A 17 -5.624 2.279 -2.661 1.00 1.00 C ATOM 252 SG CYS A 17 -4.307 3.523 -2.556 1.00 1.00 S ATOM 0 H CYS A 17 -6.184 3.330 -4.898 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.570 1.195 -4.173 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -6.593 2.763 -2.537 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -5.517 1.565 -1.844 1.00 1.00 H new ATOM 257 N LYS A 18 -7.733 0.435 -4.379 1.00 1.00 N ATOM 258 CA LYS A 18 -8.676 -0.651 -4.523 1.00 1.00 C ATOM 259 C LYS A 18 -8.401 -1.641 -5.642 1.00 1.00 C ATOM 260 O LYS A 18 -8.997 -2.712 -5.704 1.00 1.00 O ATOM 261 CB LYS A 18 -10.123 -0.103 -4.670 1.00 1.00 C ATOM 262 CG LYS A 18 -11.203 -0.978 -4.010 1.00 1.00 C ATOM 263 CD LYS A 18 -11.700 -0.453 -2.645 1.00 1.00 C ATOM 264 CE LYS A 18 -10.588 -0.016 -1.681 1.00 1.00 C ATOM 265 NZ LYS A 18 -11.082 0.000 -0.293 1.00 1.00 N ATOM 0 H LYS A 18 -8.120 1.338 -4.652 1.00 1.00 H new ATOM 0 HA LYS A 18 -8.553 -1.220 -3.602 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -10.166 0.896 -4.236 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -10.354 0.000 -5.730 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -12.054 -1.057 -4.687 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -10.807 -1.985 -3.877 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -12.366 0.393 -2.817 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -12.292 -1.232 -2.165 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -9.740 -0.696 -1.763 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -10.229 0.976 -1.957 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -10.284 0.148 0.358 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -11.770 0.771 -0.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -11.541 -0.908 -0.077 1.00 1.00 H new ATOM 279 N ALA A 19 -7.476 -1.297 -6.543 1.00 1.00 N ATOM 280 CA ALA A 19 -7.260 -1.969 -7.817 1.00 1.00 C ATOM 281 C ALA A 19 -6.662 -3.347 -7.677 1.00 1.00 C ATOM 282 O ALA A 19 -6.887 -4.262 -8.464 1.00 1.00 O ATOM 283 CB ALA A 19 -6.273 -1.143 -8.655 1.00 1.00 C ATOM 0 H ALA A 19 -6.838 -0.515 -6.395 1.00 1.00 H new ATOM 0 HA ALA A 19 -8.241 -2.064 -8.282 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -6.105 -1.638 -9.611 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -6.686 -0.149 -8.829 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -5.327 -1.055 -8.121 1.00 1.00 H new ATOM 289 N GLN A 20 -5.825 -3.467 -6.649 1.00 1.00 N ATOM 290 CA GLN A 20 -5.035 -4.630 -6.385 1.00 1.00 C ATOM 291 C GLN A 20 -4.518 -4.632 -4.968 1.00 1.00 C ATOM 292 O GLN A 20 -4.337 -5.682 -4.361 1.00 1.00 O ATOM 293 CB GLN A 20 -3.867 -4.800 -7.399 1.00 1.00 C ATOM 294 CG GLN A 20 -2.918 -3.580 -7.502 1.00 1.00 C ATOM 295 CD GLN A 20 -1.805 -3.774 -8.536 1.00 1.00 C ATOM 296 OE1 GLN A 20 -0.617 -3.659 -8.244 1.00 1.00 O ATOM 297 NE2 GLN A 20 -2.195 -4.056 -9.797 1.00 1.00 N ATOM 0 H GLN A 20 -5.686 -2.724 -5.964 1.00 1.00 H new ATOM 0 HA GLN A 20 -5.696 -5.488 -6.511 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -3.282 -5.675 -7.116 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -4.286 -5.002 -8.385 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -3.499 -2.696 -7.763 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -2.471 -3.391 -6.526 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -3.187 -4.147 -10.016 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -1.498 -4.178 -10.531 1.00 1.00 H new ATOM 306 N PHE A 21 -4.281 -3.450 -4.365 1.00 1.00 N ATOM 307 CA PHE A 21 -3.691 -3.364 -3.056 1.00 1.00 C ATOM 308 C PHE A 21 -4.678 -3.659 -1.938 1.00 1.00 C ATOM 309 O PHE A 21 -4.293 -3.958 -0.809 1.00 1.00 O ATOM 310 CB PHE A 21 -3.056 -1.967 -2.920 1.00 1.00 C ATOM 311 CG PHE A 21 -1.997 -1.766 -3.970 1.00 1.00 C ATOM 312 CD1 PHE A 21 -0.921 -2.664 -4.090 1.00 1.00 C ATOM 313 CD2 PHE A 21 -2.086 -0.691 -4.872 1.00 1.00 C ATOM 314 CE1 PHE A 21 0.032 -2.496 -5.093 1.00 1.00 C ATOM 315 CE2 PHE A 21 -1.126 -0.523 -5.875 1.00 1.00 C ATOM 316 CZ PHE A 21 -0.059 -1.420 -5.982 1.00 1.00 C ATOM 0 H PHE A 21 -4.499 -2.547 -4.785 1.00 1.00 H new ATOM 0 HA PHE A 21 -2.927 -4.135 -2.954 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -3.825 -1.200 -3.019 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -2.619 -1.855 -1.928 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -0.833 -3.490 -3.400 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -2.903 0.011 -4.790 1.00 1.00 H new ATOM 0 HE1 PHE A 21 0.845 -3.201 -5.184 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -1.209 0.301 -6.568 1.00 1.00 H new ATOM 0 HZ PHE A 21 0.691 -1.283 -6.747 1.00 1.00 H new ATOM 326 N GLY A 22 -5.989 -3.640 -2.248 1.00 1.00 N ATOM 327 CA GLY A 22 -6.950 -4.459 -1.546 1.00 1.00 C ATOM 328 C GLY A 22 -8.333 -3.900 -1.544 1.00 1.00 C ATOM 329 O GLY A 22 -8.552 -2.698 -1.561 1.00 1.00 O ATOM 0 H GLY A 22 -6.390 -3.059 -2.984 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -6.970 -5.449 -2.001 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -6.619 -4.588 -0.515 1.00 1.00 H new ATOM 333 N ILE A 23 -9.355 -4.765 -1.432 1.00 1.00 N ATOM 334 CA ILE A 23 -10.743 -4.361 -1.360 1.00 1.00 C ATOM 335 C ILE A 23 -11.061 -3.655 -0.044 1.00 1.00 C ATOM 336 O ILE A 23 -11.777 -2.655 0.012 1.00 1.00 O ATOM 337 CB ILE A 23 -11.637 -5.569 -1.622 1.00 1.00 C ATOM 338 CG1 ILE A 23 -13.112 -5.135 -1.670 1.00 1.00 C ATOM 339 CG2 ILE A 23 -11.394 -6.711 -0.604 1.00 1.00 C ATOM 340 CD1 ILE A 23 -14.059 -6.209 -2.215 1.00 1.00 C ATOM 0 H ILE A 23 -9.224 -5.776 -1.389 1.00 1.00 H new ATOM 0 HA ILE A 23 -10.943 -3.623 -2.137 1.00 1.00 H new ATOM 0 HB ILE A 23 -11.373 -5.980 -2.596 1.00 1.00 H new ATOM 0 HG12 ILE A 23 -13.432 -4.859 -0.665 1.00 1.00 H new ATOM 0 HG13 ILE A 23 -13.197 -4.242 -2.289 1.00 1.00 H new ATOM 0 HG21 ILE A 23 -12.054 -7.548 -0.832 1.00 1.00 H new ATOM 0 HG22 ILE A 23 -10.356 -7.039 -0.666 1.00 1.00 H new ATOM 0 HG23 ILE A 23 -11.601 -6.350 0.404 1.00 1.00 H new ATOM 0 HD11 ILE A 23 -15.080 -5.827 -2.217 1.00 1.00 H new ATOM 0 HD12 ILE A 23 -13.767 -6.469 -3.232 1.00 1.00 H new ATOM 0 HD13 ILE A 23 -14.005 -7.096 -1.584 1.00 1.00 H new ATOM 352 N ARG A 24 -10.420 -4.107 1.036 1.00 1.00 N ATOM 353 CA ARG A 24 -10.457 -3.520 2.348 1.00 1.00 C ATOM 354 C ARG A 24 -9.703 -2.198 2.342 1.00 1.00 C ATOM 355 O ARG A 24 -10.164 -1.235 2.945 1.00 1.00 O ATOM 356 CB ARG A 24 -9.838 -4.559 3.325 1.00 1.00 C ATOM 357 CG ARG A 24 -9.625 -4.174 4.811 1.00 1.00 C ATOM 358 CD ARG A 24 -10.862 -3.783 5.636 1.00 1.00 C ATOM 359 NE ARG A 24 -11.075 -2.327 5.380 1.00 1.00 N ATOM 360 CZ ARG A 24 -10.505 -1.379 6.128 1.00 1.00 C ATOM 361 NH1 ARG A 24 -10.063 -1.571 7.359 1.00 1.00 N ATOM 362 NH2 ARG A 24 -10.139 -0.245 5.540 1.00 1.00 N ATOM 0 H ARG A 24 -9.832 -4.940 1.001 1.00 1.00 H new ATOM 0 HA ARG A 24 -11.474 -3.290 2.667 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -10.472 -5.445 3.305 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -8.869 -4.851 2.921 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -9.143 -5.015 5.309 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -8.924 -3.340 4.843 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -11.733 -4.365 5.335 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -10.702 -3.975 6.697 1.00 1.00 H new ATOM 0 HE ARG A 24 -11.677 -2.047 4.606 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -10.148 -2.490 7.794 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -9.637 -0.800 7.874 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -10.296 -0.115 4.541 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -9.701 0.496 6.088 1.00 1.00 H new ATOM 376 N ALA A 25 -8.587 -2.129 1.589 1.00 1.00 N ATOM 377 CA ALA A 25 -7.528 -1.133 1.693 1.00 1.00 C ATOM 378 C ALA A 25 -7.920 0.339 1.665 1.00 1.00 C ATOM 379 O ALA A 25 -8.956 0.739 1.124 1.00 1.00 O ATOM 380 CB ALA A 25 -6.463 -1.394 0.608 1.00 1.00 C ATOM 0 H ALA A 25 -8.400 -2.810 0.853 1.00 1.00 H new ATOM 0 HA ALA A 25 -7.153 -1.278 2.706 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -5.672 -0.648 0.688 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -6.039 -2.389 0.746 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -6.924 -1.330 -0.377 1.00 1.00 H new ATOM 386 N GLY A 26 -7.062 1.193 2.248 1.00 1.00 N ATOM 387 CA GLY A 26 -7.272 2.611 2.423 1.00 1.00 C ATOM 388 C GLY A 26 -6.242 3.337 1.637 1.00 1.00 C ATOM 389 O GLY A 26 -5.337 2.741 1.055 1.00 1.00 O ATOM 0 H GLY A 26 -6.165 0.883 2.622 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -8.271 2.891 2.089 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -7.202 2.878 3.478 1.00 1.00 H new ATOM 393 N ALA A 27 -6.339 4.661 1.572 1.00 1.00 N ATOM 394 CA ALA A 27 -5.601 5.398 0.600 1.00 1.00 C ATOM 395 C ALA A 27 -5.504 6.834 1.031 1.00 1.00 C ATOM 396 O ALA A 27 -6.484 7.418 1.489 1.00 1.00 O ATOM 397 CB ALA A 27 -6.373 5.359 -0.717 1.00 1.00 C ATOM 0 H ALA A 27 -6.924 5.227 2.186 1.00 1.00 H new ATOM 0 HA ALA A 27 -4.605 4.969 0.490 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -5.826 5.918 -1.476 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -6.489 4.325 -1.040 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -7.357 5.807 -0.576 1.00 1.00 H new ATOM 403 N LYS A 28 -4.329 7.458 0.883 1.00 1.00 N ATOM 404 CA LYS A 28 -4.274 8.902 0.993 1.00 1.00 C ATOM 405 C LYS A 28 -3.089 9.436 0.241 1.00 1.00 C ATOM 406 O LYS A 28 -2.220 8.695 -0.197 1.00 1.00 O ATOM 407 CB LYS A 28 -4.426 9.479 2.437 1.00 1.00 C ATOM 408 CG LYS A 28 -3.619 8.825 3.575 1.00 1.00 C ATOM 409 CD LYS A 28 -2.148 9.268 3.645 1.00 1.00 C ATOM 410 CE LYS A 28 -1.662 9.603 5.062 1.00 1.00 C ATOM 411 NZ LYS A 28 -1.829 8.437 5.956 1.00 1.00 N ATOM 0 H LYS A 28 -3.439 6.997 0.694 1.00 1.00 H new ATOM 0 HA LYS A 28 -5.178 9.277 0.513 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -4.157 10.535 2.403 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -5.481 9.428 2.706 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -4.101 9.055 4.525 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -3.655 7.742 3.454 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.521 8.476 3.235 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -2.012 10.143 3.009 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -0.613 9.899 5.033 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -2.222 10.452 5.454 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -1.641 8.723 6.938 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -2.802 8.078 5.880 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -1.162 7.689 5.679 1.00 1.00 H new ATOM 425 N CYS A 29 -3.069 10.755 0.017 1.00 1.00 N ATOM 426 CA CYS A 29 -2.091 11.389 -0.833 1.00 1.00 C ATOM 427 C CYS A 29 -0.922 11.959 -0.044 1.00 1.00 C ATOM 428 O CYS A 29 -1.090 12.496 1.039 1.00 1.00 O ATOM 429 CB CYS A 29 -2.749 12.520 -1.661 1.00 1.00 C ATOM 430 SG CYS A 29 -1.772 12.944 -3.127 1.00 1.00 S ATOM 0 H CYS A 29 -3.740 11.404 0.429 1.00 1.00 H new ATOM 0 HA CYS A 29 -1.703 10.617 -1.498 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -3.748 12.210 -1.968 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.868 13.405 -1.036 1.00 1.00 H new ATOM 435 N MET A 30 0.298 11.848 -0.580 1.00 1.00 N ATOM 436 CA MET A 30 1.453 12.539 -0.061 1.00 1.00 C ATOM 437 C MET A 30 2.483 12.708 -1.152 1.00 1.00 C ATOM 438 O MET A 30 2.743 11.795 -1.937 1.00 1.00 O ATOM 439 CB MET A 30 2.046 11.744 1.102 1.00 1.00 C ATOM 440 CG MET A 30 3.372 12.234 1.711 1.00 1.00 C ATOM 441 SD MET A 30 4.832 11.415 0.989 1.00 1.00 S ATOM 442 CE MET A 30 6.042 12.415 1.901 1.00 1.00 C ATOM 0 H MET A 30 0.499 11.267 -1.394 1.00 1.00 H new ATOM 0 HA MET A 30 1.154 13.524 0.296 1.00 1.00 H new ATOM 0 HB2 MET A 30 1.303 11.714 1.899 1.00 1.00 H new ATOM 0 HB3 MET A 30 2.193 10.718 0.765 1.00 1.00 H new ATOM 0 HG2 MET A 30 3.457 13.311 1.565 1.00 1.00 H new ATOM 0 HG3 MET A 30 3.358 12.058 2.787 1.00 1.00 H new ATOM 0 HE1 MET A 30 7.050 12.102 1.630 1.00 1.00 H new ATOM 0 HE2 MET A 30 5.908 13.467 1.649 1.00 1.00 H new ATOM 0 HE3 MET A 30 5.895 12.277 2.972 1.00 1.00 H new ATOM 452 N ASN A 31 3.066 13.914 -1.233 1.00 1.00 N ATOM 453 CA ASN A 31 4.045 14.347 -2.227 1.00 1.00 C ATOM 454 C ASN A 31 3.455 14.255 -3.630 1.00 1.00 C ATOM 455 O ASN A 31 4.109 13.904 -4.608 1.00 1.00 O ATOM 456 CB ASN A 31 5.383 13.573 -2.063 1.00 1.00 C ATOM 457 CG ASN A 31 6.612 14.363 -2.508 1.00 1.00 C ATOM 458 OD1 ASN A 31 7.492 14.626 -1.695 1.00 1.00 O ATOM 459 ND2 ASN A 31 6.695 14.748 -3.795 1.00 1.00 N ATOM 0 H ASN A 31 2.850 14.653 -0.564 1.00 1.00 H new ATOM 0 HA ASN A 31 4.286 15.397 -2.062 1.00 1.00 H new ATOM 0 HB2 ASN A 31 5.503 13.292 -1.017 1.00 1.00 H new ATOM 0 HB3 ASN A 31 5.330 12.648 -2.638 1.00 1.00 H new ATOM 0 HD21 ASN A 31 7.507 15.274 -4.119 1.00 1.00 H new ATOM 0 HD22 ASN A 31 5.946 14.514 -4.447 1.00 1.00 H new ATOM 466 N GLY A 32 2.138 14.520 -3.706 1.00 1.00 N ATOM 467 CA GLY A 32 1.338 14.403 -4.920 1.00 1.00 C ATOM 468 C GLY A 32 1.125 12.998 -5.430 1.00 1.00 C ATOM 469 O GLY A 32 0.720 12.812 -6.570 1.00 1.00 O ATOM 0 H GLY A 32 1.595 14.829 -2.900 1.00 1.00 H new ATOM 0 HA2 GLY A 32 0.363 14.855 -4.736 1.00 1.00 H new ATOM 0 HA3 GLY A 32 1.817 14.987 -5.706 1.00 1.00 H new ATOM 473 N LYS A 33 1.384 11.943 -4.630 1.00 1.00 N ATOM 474 CA LYS A 33 1.264 10.592 -5.116 1.00 1.00 C ATOM 475 C LYS A 33 0.780 9.684 -4.009 1.00 1.00 C ATOM 476 O LYS A 33 0.965 9.917 -2.811 1.00 1.00 O ATOM 477 CB LYS A 33 2.590 10.109 -5.765 1.00 1.00 C ATOM 478 CG LYS A 33 3.841 10.190 -4.867 1.00 1.00 C ATOM 479 CD LYS A 33 5.135 10.460 -5.667 1.00 1.00 C ATOM 480 CE LYS A 33 5.513 9.326 -6.623 1.00 1.00 C ATOM 481 NZ LYS A 33 6.597 9.733 -7.544 1.00 1.00 N ATOM 0 H LYS A 33 1.674 12.020 -3.655 1.00 1.00 H new ATOM 0 HA LYS A 33 0.515 10.560 -5.908 1.00 1.00 H new ATOM 0 HB2 LYS A 33 2.461 9.075 -6.085 1.00 1.00 H new ATOM 0 HB3 LYS A 33 2.770 10.700 -6.663 1.00 1.00 H new ATOM 0 HG2 LYS A 33 3.703 10.981 -4.130 1.00 1.00 H new ATOM 0 HG3 LYS A 33 3.948 9.256 -4.316 1.00 1.00 H new ATOM 0 HD2 LYS A 33 5.013 11.380 -6.238 1.00 1.00 H new ATOM 0 HD3 LYS A 33 5.956 10.624 -4.969 1.00 1.00 H new ATOM 0 HE2 LYS A 33 5.829 8.455 -6.049 1.00 1.00 H new ATOM 0 HE3 LYS A 33 4.637 9.027 -7.199 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 6.794 8.960 -8.211 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 6.304 10.580 -8.072 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 7.456 9.946 -6.997 1.00 1.00 H new ATOM 495 N CYS A 34 0.068 8.622 -4.381 1.00 1.00 N ATOM 496 CA CYS A 34 -0.731 7.867 -3.443 1.00 1.00 C ATOM 497 C CYS A 34 0.026 7.043 -2.418 1.00 1.00 C ATOM 498 O CYS A 34 1.194 6.705 -2.577 1.00 1.00 O ATOM 499 CB CYS A 34 -1.757 6.975 -4.176 1.00 1.00 C ATOM 500 SG CYS A 34 -3.237 6.618 -3.192 1.00 1.00 S ATOM 0 H CYS A 34 0.035 8.269 -5.338 1.00 1.00 H new ATOM 0 HA CYS A 34 -1.233 8.641 -2.863 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -2.056 7.465 -5.103 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -1.278 6.035 -4.452 1.00 1.00 H new ATOM 505 N LYS A 35 -0.639 6.746 -1.299 1.00 1.00 N ATOM 506 CA LYS A 35 -0.140 6.059 -0.150 1.00 1.00 C ATOM 507 C LYS A 35 -1.276 5.148 0.244 1.00 1.00 C ATOM 508 O LYS A 35 -2.147 5.504 1.035 1.00 1.00 O ATOM 509 CB LYS A 35 0.172 6.993 1.043 1.00 1.00 C ATOM 510 CG LYS A 35 1.107 8.187 0.787 1.00 1.00 C ATOM 511 CD LYS A 35 2.615 7.869 0.819 1.00 1.00 C ATOM 512 CE LYS A 35 3.334 7.739 -0.521 1.00 1.00 C ATOM 513 NZ LYS A 35 3.108 8.909 -1.396 1.00 1.00 N ATOM 0 H LYS A 35 -1.618 7.010 -1.184 1.00 1.00 H new ATOM 0 HA LYS A 35 0.798 5.558 -0.388 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -0.773 7.382 1.421 1.00 1.00 H new ATOM 0 HB3 LYS A 35 0.609 6.388 1.838 1.00 1.00 H new ATOM 0 HG2 LYS A 35 0.864 8.614 -0.186 1.00 1.00 H new ATOM 0 HG3 LYS A 35 0.900 8.955 1.533 1.00 1.00 H new ATOM 0 HD2 LYS A 35 3.112 8.651 1.393 1.00 1.00 H new ATOM 0 HD3 LYS A 35 2.751 6.936 1.366 1.00 1.00 H new ATOM 0 HE2 LYS A 35 4.403 7.620 -0.347 1.00 1.00 H new ATOM 0 HE3 LYS A 35 2.991 6.837 -1.028 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 3.812 8.911 -2.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 2.153 8.858 -1.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 3.200 9.782 -0.839 1.00 1.00 H new ATOM 527 N CYS A 36 -1.319 3.963 -0.351 1.00 1.00 N ATOM 528 CA CYS A 36 -2.227 2.900 -0.043 1.00 1.00 C ATOM 529 C CYS A 36 -1.887 2.165 1.239 1.00 1.00 C ATOM 530 O CYS A 36 -0.744 1.743 1.447 1.00 1.00 O ATOM 531 CB CYS A 36 -2.186 1.885 -1.186 1.00 1.00 C ATOM 532 SG CYS A 36 -2.559 2.549 -2.828 1.00 1.00 S ATOM 0 H CYS A 36 -0.677 3.718 -1.105 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.211 3.351 0.087 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -1.195 1.433 -1.212 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.895 1.087 -0.966 1.00 1.00 H new ATOM 537 N TYR A 37 -2.874 1.966 2.127 1.00 1.00 N ATOM 538 CA TYR A 37 -2.703 1.328 3.410 1.00 1.00 C ATOM 539 C TYR A 37 -3.442 0.008 3.324 1.00 1.00 C ATOM 540 O TYR A 37 -4.606 0.053 2.937 1.00 1.00 O ATOM 541 CB TYR A 37 -3.350 2.211 4.506 1.00 1.00 C ATOM 542 CG TYR A 37 -2.448 3.377 4.814 1.00 1.00 C ATOM 543 CD1 TYR A 37 -2.470 4.530 4.021 1.00 1.00 C ATOM 544 CD2 TYR A 37 -1.523 3.288 5.868 1.00 1.00 C ATOM 545 CE1 TYR A 37 -1.556 5.565 4.250 1.00 1.00 C ATOM 546 CE2 TYR A 37 -0.621 4.334 6.115 1.00 1.00 C ATOM 547 CZ TYR A 37 -0.638 5.471 5.300 1.00 1.00 C ATOM 548 OH TYR A 37 0.244 6.533 5.548 1.00 1.00 O ATOM 0 H TYR A 37 -3.835 2.259 1.952 1.00 1.00 H new ATOM 0 HA TYR A 37 -1.651 1.183 3.655 1.00 1.00 H new ATOM 0 HB2 TYR A 37 -4.323 2.570 4.171 1.00 1.00 H new ATOM 0 HB3 TYR A 37 -3.521 1.622 5.407 1.00 1.00 H new ATOM 0 HD1 TYR A 37 -3.197 4.622 3.227 1.00 1.00 H new ATOM 0 HD2 TYR A 37 -1.506 2.407 6.493 1.00 1.00 H new ATOM 0 HE1 TYR A 37 -1.560 6.438 3.614 1.00 1.00 H new ATOM 0 HE2 TYR A 37 0.083 4.262 6.931 1.00 1.00 H new ATOM 0 HH TYR A 37 0.816 6.311 6.312 1.00 1.00 H new ATOM 558 N PRO A 38 -2.907 -1.175 3.597 1.00 1.00 N ATOM 559 CA PRO A 38 -3.590 -2.429 3.271 1.00 1.00 C ATOM 560 C PRO A 38 -4.530 -2.900 4.353 1.00 1.00 C ATOM 561 O PRO A 38 -4.695 -4.095 4.585 1.00 1.00 O ATOM 562 CB PRO A 38 -2.416 -3.390 3.039 1.00 1.00 C ATOM 563 CG PRO A 38 -1.366 -2.920 4.053 1.00 1.00 C ATOM 564 CD PRO A 38 -1.527 -1.397 4.038 1.00 1.00 C ATOM 0 HA PRO A 38 -4.253 -2.339 2.411 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -2.705 -4.427 3.211 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -2.043 -3.329 2.017 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -1.549 -3.335 5.044 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -0.360 -3.222 3.761 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -1.353 -0.970 5.026 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -0.814 -0.930 3.359 1.00 1.00 H new