USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 281 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 29 MET CE :methyl 151:sc= 0 (180deg=-0.188) USER MOD Set 1.2: A 34 LYS NZ :NH3+ 139:sc= -0.662 (180deg=-0.884) USER MOD Set 1.3: A 36 TYR OH : rot 41:sc= 0.228 USER MOD Single : A 1 VAL N :NH3+ -157:sc= -0.644 (180deg=-1.92!) USER MOD Single : A 4 ASN : amide:sc= -0.66 K(o=-0.66,f=-5.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -1.22! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 142:sc= -0.138 (180deg=-1.35!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.639 10.014 2.581 1.00 0.00 N ATOM 2 CA VAL A 1 -1.947 8.806 3.401 1.00 0.00 C ATOM 3 C VAL A 1 -1.049 7.637 2.985 1.00 0.00 C ATOM 4 O VAL A 1 -1.507 6.529 2.795 1.00 0.00 O ATOM 5 CB VAL A 1 -3.411 8.489 3.102 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.932 7.467 4.115 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.241 9.771 3.200 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.939 10.867 3.094 1.00 0.00 H new ATOM 0 H2 VAL A 1 -0.616 10.060 2.402 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.147 9.958 1.675 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.774 8.974 4.464 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.494 8.077 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.977 7.242 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.342 6.553 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.849 7.877 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.286 9.545 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.157 10.183 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.872 10.499 2.478 1.00 0.00 H new ATOM 19 N PHE A 2 0.226 7.875 2.844 1.00 0.00 N ATOM 20 CA PHE A 2 1.150 6.772 2.442 1.00 0.00 C ATOM 21 C PHE A 2 1.966 6.300 3.646 1.00 0.00 C ATOM 22 O PHE A 2 1.967 6.918 4.692 1.00 0.00 O ATOM 23 CB PHE A 2 2.083 7.382 1.393 1.00 0.00 C ATOM 24 CG PHE A 2 1.367 7.563 0.070 1.00 0.00 C ATOM 25 CD1 PHE A 2 0.310 6.716 -0.298 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.776 8.584 -0.796 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.333 6.895 -1.528 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.131 8.761 -2.026 1.00 0.00 C ATOM 29 CZ PHE A 2 0.078 7.918 -2.392 1.00 0.00 C ATOM 0 H PHE A 2 0.669 8.782 2.989 1.00 0.00 H new ATOM 0 HA PHE A 2 0.604 5.911 2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.452 8.345 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.952 6.738 1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.007 5.927 0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.590 9.236 -0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.147 6.244 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.447 9.550 -2.693 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.419 8.055 -3.341 1.00 0.00 H new ATOM 39 N ILE A 3 2.672 5.214 3.499 1.00 0.00 N ATOM 40 CA ILE A 3 3.502 4.707 4.629 1.00 0.00 C ATOM 41 C ILE A 3 4.900 4.346 4.125 1.00 0.00 C ATOM 42 O ILE A 3 5.056 3.707 3.103 1.00 0.00 O ATOM 43 CB ILE A 3 2.775 3.465 5.140 1.00 0.00 C ATOM 44 CG1 ILE A 3 2.660 2.440 4.012 1.00 0.00 C ATOM 45 CG2 ILE A 3 1.376 3.855 5.616 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.996 1.168 4.545 1.00 0.00 C ATOM 0 H ILE A 3 2.711 4.655 2.646 1.00 0.00 H new ATOM 0 HA ILE A 3 3.626 5.450 5.417 1.00 0.00 H new ATOM 0 HB ILE A 3 3.335 3.032 5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.074 2.852 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.648 2.208 3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.856 2.969 5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.456 4.586 6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.817 4.288 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.914 0.436 3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.600 0.753 5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.001 1.407 4.921 1.00 0.00 H new ATOM 58 N ASN A 4 5.916 4.752 4.834 1.00 0.00 N ATOM 59 CA ASN A 4 7.305 4.436 4.391 1.00 0.00 C ATOM 60 C ASN A 4 7.670 2.996 4.760 1.00 0.00 C ATOM 61 O ASN A 4 8.724 2.733 5.304 1.00 0.00 O ATOM 62 CB ASN A 4 8.198 5.423 5.144 1.00 0.00 C ATOM 63 CG ASN A 4 8.205 5.074 6.634 1.00 0.00 C ATOM 64 OD1 ASN A 4 7.222 4.595 7.162 1.00 0.00 O ATOM 65 ND2 ASN A 4 9.282 5.296 7.337 1.00 0.00 N ATOM 0 H ASN A 4 5.846 5.288 5.699 1.00 0.00 H new ATOM 0 HA ASN A 4 7.419 4.524 3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.212 5.387 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.835 6.441 5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.298 5.067 8.331 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.107 5.698 6.893 1.00 0.00 H new ATOM 72 N ALA A 5 6.812 2.060 4.462 1.00 0.00 N ATOM 73 CA ALA A 5 7.117 0.641 4.792 1.00 0.00 C ATOM 74 C ALA A 5 7.735 -0.053 3.576 1.00 0.00 C ATOM 75 O ALA A 5 7.038 -0.601 2.745 1.00 0.00 O ATOM 76 CB ALA A 5 5.768 0.018 5.140 1.00 0.00 C ATOM 0 H ALA A 5 5.914 2.217 4.005 1.00 0.00 H new ATOM 0 HA ALA A 5 7.829 0.546 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.907 -1.032 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.333 0.544 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.099 0.097 4.283 1.00 0.00 H new ATOM 82 N LYS A 6 9.036 -0.030 3.463 1.00 0.00 N ATOM 83 CA LYS A 6 9.698 -0.685 2.298 1.00 0.00 C ATOM 84 C LYS A 6 9.102 -2.074 2.056 1.00 0.00 C ATOM 85 O LYS A 6 9.553 -3.056 2.611 1.00 0.00 O ATOM 86 CB LYS A 6 11.171 -0.800 2.695 1.00 0.00 C ATOM 87 CG LYS A 6 11.279 -1.440 4.080 1.00 0.00 C ATOM 88 CD LYS A 6 12.266 -2.608 4.028 1.00 0.00 C ATOM 89 CE LYS A 6 13.154 -2.583 5.274 1.00 0.00 C ATOM 90 NZ LYS A 6 13.679 -3.971 5.402 1.00 0.00 N ATOM 0 H LYS A 6 9.669 0.414 4.128 1.00 0.00 H new ATOM 0 HA LYS A 6 9.563 -0.118 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.710 -1.401 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.635 0.186 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.612 -0.701 4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.300 -1.791 4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.725 -3.553 3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.880 -2.539 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.965 -1.863 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.586 -2.293 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.298 -4.033 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.885 -4.634 5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.222 -4.217 4.549 1.00 0.00 H new ATOM 104 N CYS A 7 8.091 -2.167 1.236 1.00 0.00 N ATOM 105 CA CYS A 7 7.474 -3.501 0.972 1.00 0.00 C ATOM 106 C CYS A 7 8.396 -4.350 0.089 1.00 0.00 C ATOM 107 O CYS A 7 9.546 -4.022 -0.126 1.00 0.00 O ATOM 108 CB CYS A 7 6.150 -3.203 0.256 1.00 0.00 C ATOM 109 SG CYS A 7 6.451 -2.832 -1.492 1.00 0.00 S ATOM 0 H CYS A 7 7.667 -1.383 0.740 1.00 0.00 H new ATOM 0 HA CYS A 7 7.313 -4.067 1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.481 -4.059 0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.652 -2.359 0.734 1.00 0.00 H new ATOM 114 N ARG A 8 7.893 -5.437 -0.429 1.00 0.00 N ATOM 115 CA ARG A 8 8.731 -6.306 -1.304 1.00 0.00 C ATOM 116 C ARG A 8 8.050 -6.504 -2.661 1.00 0.00 C ATOM 117 O ARG A 8 8.672 -6.905 -3.626 1.00 0.00 O ATOM 118 CB ARG A 8 8.837 -7.637 -0.559 1.00 0.00 C ATOM 119 CG ARG A 8 10.180 -7.709 0.170 1.00 0.00 C ATOM 120 CD ARG A 8 10.066 -7.003 1.522 1.00 0.00 C ATOM 121 NE ARG A 8 11.158 -7.586 2.350 1.00 0.00 N ATOM 122 CZ ARG A 8 12.398 -7.470 1.963 1.00 0.00 C ATOM 123 NH1 ARG A 8 12.783 -6.400 1.322 1.00 0.00 N ATOM 124 NH2 ARG A 8 13.254 -8.421 2.217 1.00 0.00 N ATOM 0 H ARG A 8 6.937 -5.761 -0.284 1.00 0.00 H new ATOM 0 HA ARG A 8 9.711 -5.870 -1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.018 -7.733 0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.747 -8.467 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.472 -8.749 0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.958 -7.240 -0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.183 -5.924 1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.090 -7.175 1.977 1.00 0.00 H new ATOM 0 HE ARG A 8 10.937 -8.075 3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.114 -5.656 1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.753 -6.308 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.954 -9.257 2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.223 -8.329 1.914 1.00 0.00 H new ATOM 138 N GLY A 9 6.776 -6.228 -2.743 1.00 0.00 N ATOM 139 CA GLY A 9 6.057 -6.404 -4.036 1.00 0.00 C ATOM 140 C GLY A 9 4.914 -5.392 -4.134 1.00 0.00 C ATOM 141 O GLY A 9 4.344 -4.984 -3.141 1.00 0.00 O ATOM 0 H GLY A 9 6.203 -5.888 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.748 -6.268 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.665 -7.418 -4.110 1.00 0.00 H new ATOM 145 N SER A 10 4.576 -4.985 -5.325 1.00 0.00 N ATOM 146 CA SER A 10 3.471 -4.000 -5.499 1.00 0.00 C ATOM 147 C SER A 10 2.153 -4.535 -4.914 1.00 0.00 C ATOM 148 O SER A 10 1.503 -3.850 -4.150 1.00 0.00 O ATOM 149 CB SER A 10 3.352 -3.807 -7.012 1.00 0.00 C ATOM 150 OG SER A 10 2.014 -4.063 -7.421 1.00 0.00 O ATOM 0 H SER A 10 5.019 -5.293 -6.190 1.00 0.00 H new ATOM 0 HA SER A 10 3.676 -3.065 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.638 -2.791 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.036 -4.479 -7.530 1.00 0.00 H new ATOM 0 HG SER A 10 1.938 -3.937 -8.390 1.00 0.00 H new ATOM 156 N PRO A 11 1.787 -5.737 -5.297 1.00 0.00 N ATOM 157 CA PRO A 11 0.524 -6.338 -4.800 1.00 0.00 C ATOM 158 C PRO A 11 0.548 -6.498 -3.276 1.00 0.00 C ATOM 159 O PRO A 11 -0.482 -6.537 -2.634 1.00 0.00 O ATOM 160 CB PRO A 11 0.495 -7.699 -5.502 1.00 0.00 C ATOM 161 CG PRO A 11 1.750 -7.825 -6.387 1.00 0.00 C ATOM 162 CD PRO A 11 2.599 -6.556 -6.229 1.00 0.00 C ATOM 0 HA PRO A 11 -0.355 -5.728 -5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.469 -8.503 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.406 -7.792 -6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.328 -8.703 -6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.464 -7.960 -7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.585 -6.776 -5.821 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.754 -6.051 -7.182 1.00 0.00 H new ATOM 170 N GLU A 12 1.709 -6.590 -2.689 1.00 0.00 N ATOM 171 CA GLU A 12 1.774 -6.744 -1.206 1.00 0.00 C ATOM 172 C GLU A 12 1.087 -5.555 -0.527 1.00 0.00 C ATOM 173 O GLU A 12 0.592 -5.656 0.581 1.00 0.00 O ATOM 174 CB GLU A 12 3.265 -6.764 -0.868 1.00 0.00 C ATOM 175 CG GLU A 12 3.445 -6.892 0.646 1.00 0.00 C ATOM 176 CD GLU A 12 3.065 -8.305 1.089 1.00 0.00 C ATOM 177 OE1 GLU A 12 2.710 -9.098 0.233 1.00 0.00 O ATOM 178 OE2 GLU A 12 3.135 -8.572 2.279 1.00 0.00 O ATOM 0 H GLU A 12 2.610 -6.566 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 12 1.270 -7.647 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.752 -7.597 -1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.742 -5.851 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.479 -6.680 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.823 -6.159 1.160 1.00 0.00 H new ATOM 185 N CYS A 13 1.051 -4.428 -1.184 1.00 0.00 N ATOM 186 CA CYS A 13 0.397 -3.234 -0.576 1.00 0.00 C ATOM 187 C CYS A 13 -1.123 -3.419 -0.534 1.00 0.00 C ATOM 188 O CYS A 13 -1.805 -2.810 0.266 1.00 0.00 O ATOM 189 CB CYS A 13 0.780 -2.062 -1.486 1.00 0.00 C ATOM 190 SG CYS A 13 0.678 -0.500 -0.566 1.00 0.00 S ATOM 0 H CYS A 13 1.445 -4.282 -2.113 1.00 0.00 H new ATOM 0 HA CYS A 13 0.718 -3.068 0.453 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.791 -2.203 -1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.115 -2.029 -2.349 1.00 0.00 H new ATOM 195 N LEU A 14 -1.662 -4.259 -1.377 1.00 0.00 N ATOM 196 CA LEU A 14 -3.138 -4.474 -1.358 1.00 0.00 C ATOM 197 C LEU A 14 -3.572 -4.953 0.034 1.00 0.00 C ATOM 198 O LEU A 14 -4.389 -4.318 0.671 1.00 0.00 O ATOM 199 CB LEU A 14 -3.415 -5.540 -2.419 1.00 0.00 C ATOM 200 CG LEU A 14 -4.204 -4.925 -3.573 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.233 -4.437 -4.650 1.00 0.00 C ATOM 202 CD2 LEU A 14 -5.139 -5.980 -4.170 1.00 0.00 C ATOM 0 H LEU A 14 -1.149 -4.801 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.693 -3.560 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.476 -5.953 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.976 -6.365 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.792 -4.084 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.795 -3.998 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.566 -3.687 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.646 -5.278 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.703 -5.542 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.551 -6.820 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.830 -6.330 -3.403 1.00 0.00 H new ATOM 214 N PRO A 15 -3.001 -6.051 0.479 1.00 0.00 N ATOM 215 CA PRO A 15 -3.333 -6.582 1.821 1.00 0.00 C ATOM 216 C PRO A 15 -2.956 -5.558 2.893 1.00 0.00 C ATOM 217 O PRO A 15 -3.712 -5.290 3.807 1.00 0.00 O ATOM 218 CB PRO A 15 -2.446 -7.827 1.925 1.00 0.00 C ATOM 219 CG PRO A 15 -1.626 -7.958 0.628 1.00 0.00 C ATOM 220 CD PRO A 15 -2.009 -6.813 -0.318 1.00 0.00 C ATOM 0 HA PRO A 15 -4.392 -6.799 1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.782 -7.747 2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.058 -8.716 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.560 -7.923 0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.821 -8.920 0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.147 -6.201 -0.584 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.436 -7.183 -1.250 1.00 0.00 H new ATOM 228 N LYS A 16 -1.790 -4.979 2.781 1.00 0.00 N ATOM 229 CA LYS A 16 -1.359 -3.966 3.786 1.00 0.00 C ATOM 230 C LYS A 16 -2.352 -2.804 3.816 1.00 0.00 C ATOM 231 O LYS A 16 -2.813 -2.393 4.863 1.00 0.00 O ATOM 232 CB LYS A 16 0.011 -3.491 3.304 1.00 0.00 C ATOM 233 CG LYS A 16 1.066 -4.546 3.640 1.00 0.00 C ATOM 234 CD LYS A 16 1.180 -4.688 5.158 1.00 0.00 C ATOM 235 CE LYS A 16 0.591 -6.032 5.591 1.00 0.00 C ATOM 236 NZ LYS A 16 1.767 -6.874 5.947 1.00 0.00 N ATOM 0 H LYS A 16 -1.118 -5.164 2.037 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.315 -4.373 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.012 -3.314 2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.266 -2.543 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.794 -5.503 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.029 -4.260 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.224 -4.622 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.652 -3.872 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.080 -5.913 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.010 -6.485 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.442 -7.813 6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.385 -6.976 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.297 -6.422 6.719 1.00 0.00 H new ATOM 250 N CYS A 17 -2.690 -2.274 2.672 1.00 0.00 N ATOM 251 CA CYS A 17 -3.660 -1.143 2.632 1.00 0.00 C ATOM 252 C CYS A 17 -5.008 -1.598 3.198 1.00 0.00 C ATOM 253 O CYS A 17 -5.645 -0.893 3.957 1.00 0.00 O ATOM 254 CB CYS A 17 -3.791 -0.785 1.152 1.00 0.00 C ATOM 255 SG CYS A 17 -2.348 0.177 0.631 1.00 0.00 S ATOM 0 H CYS A 17 -2.337 -2.575 1.764 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.333 -0.290 3.226 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.871 -1.692 0.554 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.703 -0.211 0.985 1.00 0.00 H new ATOM 260 N LYS A 18 -5.442 -2.777 2.839 1.00 0.00 N ATOM 261 CA LYS A 18 -6.744 -3.286 3.358 1.00 0.00 C ATOM 262 C LYS A 18 -6.733 -3.273 4.889 1.00 0.00 C ATOM 263 O LYS A 18 -7.756 -3.113 5.526 1.00 0.00 O ATOM 264 CB LYS A 18 -6.843 -4.720 2.833 1.00 0.00 C ATOM 265 CG LYS A 18 -8.295 -5.198 2.912 1.00 0.00 C ATOM 266 CD LYS A 18 -8.380 -6.647 2.430 1.00 0.00 C ATOM 267 CE LYS A 18 -8.782 -7.553 3.598 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.128 -7.067 4.014 1.00 0.00 N ATOM 0 H LYS A 18 -4.950 -3.410 2.208 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.590 -2.677 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.490 -4.766 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.201 -5.377 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.659 -5.122 3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.933 -4.561 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.109 -6.731 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.419 -6.963 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.816 -8.599 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.066 -7.483 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.724 -7.878 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.030 -6.431 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.570 -6.553 3.226 1.00 0.00 H new ATOM 282 N GLU A 19 -5.583 -3.442 5.481 1.00 0.00 N ATOM 283 CA GLU A 19 -5.501 -3.440 6.970 1.00 0.00 C ATOM 284 C GLU A 19 -5.255 -2.019 7.486 1.00 0.00 C ATOM 285 O GLU A 19 -5.508 -1.714 8.635 1.00 0.00 O ATOM 286 CB GLU A 19 -4.311 -4.340 7.300 1.00 0.00 C ATOM 287 CG GLU A 19 -4.785 -5.789 7.429 1.00 0.00 C ATOM 288 CD GLU A 19 -4.259 -6.381 8.738 1.00 0.00 C ATOM 289 OE1 GLU A 19 -3.364 -5.788 9.318 1.00 0.00 O ATOM 290 OE2 GLU A 19 -4.760 -7.419 9.138 1.00 0.00 O ATOM 0 H GLU A 19 -4.695 -3.582 4.998 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.422 -3.792 7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.555 -4.262 6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.843 -4.015 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.874 -5.830 7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.429 -6.376 6.583 1.00 0.00 H new ATOM 297 N ALA A 20 -4.765 -1.149 6.647 1.00 0.00 N ATOM 298 CA ALA A 20 -4.504 0.250 7.091 1.00 0.00 C ATOM 299 C ALA A 20 -5.776 1.091 6.960 1.00 0.00 C ATOM 300 O ALA A 20 -6.258 1.659 7.919 1.00 0.00 O ATOM 301 CB ALA A 20 -3.419 0.768 6.149 1.00 0.00 C ATOM 0 H ALA A 20 -4.534 -1.346 5.673 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.195 0.302 8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.170 1.796 6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.530 0.145 6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.782 0.733 5.122 1.00 0.00 H new ATOM 307 N ILE A 21 -6.322 1.172 5.778 1.00 0.00 N ATOM 308 CA ILE A 21 -7.564 1.973 5.585 1.00 0.00 C ATOM 309 C ILE A 21 -8.783 1.049 5.535 1.00 0.00 C ATOM 310 O ILE A 21 -9.819 1.339 6.096 1.00 0.00 O ATOM 311 CB ILE A 21 -7.372 2.686 4.246 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.525 1.677 3.104 1.00 0.00 C ATOM 313 CG2 ILE A 21 -5.974 3.307 4.193 1.00 0.00 C ATOM 314 CD1 ILE A 21 -7.228 2.367 1.771 1.00 0.00 C ATOM 0 H ILE A 21 -5.962 0.719 4.938 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.734 2.678 6.399 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.122 3.470 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.844 0.839 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.536 1.269 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.838 3.815 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.864 4.025 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.224 2.523 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.337 1.649 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.927 3.191 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.209 2.753 1.780 1.00 0.00 H new ATOM 326 N GLY A 22 -8.664 -0.067 4.866 1.00 0.00 N ATOM 327 CA GLY A 22 -9.812 -1.012 4.781 1.00 0.00 C ATOM 328 C GLY A 22 -10.479 -0.892 3.409 1.00 0.00 C ATOM 329 O GLY A 22 -11.675 -1.058 3.272 1.00 0.00 O ATOM 0 H GLY A 22 -7.821 -0.364 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.467 -2.034 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.534 -0.793 5.568 1.00 0.00 H new ATOM 333 N LYS A 23 -9.715 -0.605 2.390 1.00 0.00 N ATOM 334 CA LYS A 23 -10.311 -0.475 1.028 1.00 0.00 C ATOM 335 C LYS A 23 -9.525 -1.320 0.021 1.00 0.00 C ATOM 336 O LYS A 23 -9.871 -1.397 -1.142 1.00 0.00 O ATOM 337 CB LYS A 23 -10.204 1.012 0.690 1.00 0.00 C ATOM 338 CG LYS A 23 -11.326 1.774 1.396 1.00 0.00 C ATOM 339 CD LYS A 23 -12.680 1.213 0.955 1.00 0.00 C ATOM 340 CE LYS A 23 -13.664 2.364 0.732 1.00 0.00 C ATOM 341 NZ LYS A 23 -14.985 1.707 0.529 1.00 0.00 N ATOM 0 H LYS A 23 -8.707 -0.455 2.440 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.342 -0.826 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.234 1.399 1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.273 1.157 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.217 1.683 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.265 2.836 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.565 0.637 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.067 0.532 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.685 3.037 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.383 2.961 -0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.713 2.433 0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.936 1.078 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.230 1.151 1.373 1.00 0.00 H new ATOM 355 N ALA A 24 -8.477 -1.959 0.463 1.00 0.00 N ATOM 356 CA ALA A 24 -7.664 -2.808 -0.459 1.00 0.00 C ATOM 357 C ALA A 24 -7.520 -2.138 -1.827 1.00 0.00 C ATOM 358 O ALA A 24 -7.928 -2.673 -2.838 1.00 0.00 O ATOM 359 CB ALA A 24 -8.450 -4.114 -0.585 1.00 0.00 C ATOM 0 H ALA A 24 -8.146 -1.931 1.427 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.654 -2.968 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.918 -4.796 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.554 -4.572 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.438 -3.906 -0.995 1.00 0.00 H new ATOM 365 N ALA A 25 -6.939 -0.970 -1.867 1.00 0.00 N ATOM 366 CA ALA A 25 -6.767 -0.267 -3.171 1.00 0.00 C ATOM 367 C ALA A 25 -5.515 0.613 -3.134 1.00 0.00 C ATOM 368 O ALA A 25 -5.588 1.802 -2.896 1.00 0.00 O ATOM 369 CB ALA A 25 -8.023 0.591 -3.324 1.00 0.00 C ATOM 0 H ALA A 25 -6.576 -0.472 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.643 -0.960 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.975 1.143 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.904 -0.051 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.087 1.293 -2.493 1.00 0.00 H new ATOM 375 N GLY A 26 -4.364 0.039 -3.365 1.00 0.00 N ATOM 376 CA GLY A 26 -3.112 0.848 -3.339 1.00 0.00 C ATOM 377 C GLY A 26 -1.984 0.082 -4.036 1.00 0.00 C ATOM 378 O GLY A 26 -2.190 -0.980 -4.589 1.00 0.00 O ATOM 0 H GLY A 26 -4.237 -0.952 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.276 1.804 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.832 1.068 -2.309 1.00 0.00 H new ATOM 382 N LYS A 27 -0.793 0.617 -4.013 1.00 0.00 N ATOM 383 CA LYS A 27 0.354 -0.075 -4.672 1.00 0.00 C ATOM 384 C LYS A 27 1.655 0.263 -3.944 1.00 0.00 C ATOM 385 O LYS A 27 1.655 0.956 -2.946 1.00 0.00 O ATOM 386 CB LYS A 27 0.391 0.477 -6.099 1.00 0.00 C ATOM 387 CG LYS A 27 -1.031 0.564 -6.654 1.00 0.00 C ATOM 388 CD LYS A 27 -0.985 1.089 -8.091 1.00 0.00 C ATOM 389 CE LYS A 27 -2.287 1.830 -8.403 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.886 3.252 -8.599 1.00 0.00 N ATOM 0 H LYS A 27 -0.564 1.505 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 27 0.243 -1.159 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.856 1.463 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.001 -0.167 -6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.504 -0.418 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.636 1.225 -6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.134 1.758 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.848 0.262 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.765 1.428 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.003 1.731 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.727 3.823 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.440 3.610 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.210 3.317 -9.387 1.00 0.00 H new ATOM 404 N CYS A 28 2.767 -0.215 -4.433 1.00 0.00 N ATOM 405 CA CYS A 28 4.058 0.091 -3.759 1.00 0.00 C ATOM 406 C CYS A 28 5.018 0.787 -4.726 1.00 0.00 C ATOM 407 O CYS A 28 5.277 0.310 -5.814 1.00 0.00 O ATOM 408 CB CYS A 28 4.622 -1.262 -3.326 1.00 0.00 C ATOM 409 SG CYS A 28 5.542 -1.054 -1.781 1.00 0.00 S ATOM 0 H CYS A 28 2.836 -0.801 -5.265 1.00 0.00 H new ATOM 0 HA CYS A 28 3.922 0.763 -2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.813 -1.980 -3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.275 -1.663 -4.101 1.00 0.00 H new ATOM 414 N MET A 29 5.551 1.911 -4.333 1.00 0.00 N ATOM 415 CA MET A 29 6.500 2.641 -5.222 1.00 0.00 C ATOM 416 C MET A 29 7.596 3.301 -4.381 1.00 0.00 C ATOM 417 O MET A 29 7.410 3.583 -3.214 1.00 0.00 O ATOM 418 CB MET A 29 5.652 3.700 -5.927 1.00 0.00 C ATOM 419 CG MET A 29 5.832 3.574 -7.440 1.00 0.00 C ATOM 420 SD MET A 29 6.424 5.148 -8.110 1.00 0.00 S ATOM 421 CE MET A 29 4.807 5.825 -8.558 1.00 0.00 C ATOM 0 H MET A 29 5.370 2.357 -3.433 1.00 0.00 H new ATOM 0 HA MET A 29 6.995 1.981 -5.934 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.602 3.575 -5.663 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.947 4.696 -5.597 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.543 2.779 -7.668 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.887 3.300 -7.908 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.840 6.913 -8.504 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.553 5.520 -9.573 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.052 5.450 -7.867 1.00 0.00 H new ATOM 431 N ASN A 30 8.737 3.545 -4.962 1.00 0.00 N ATOM 432 CA ASN A 30 9.843 4.184 -4.190 1.00 0.00 C ATOM 433 C ASN A 30 10.124 3.386 -2.913 1.00 0.00 C ATOM 434 O ASN A 30 10.732 3.879 -1.983 1.00 0.00 O ATOM 435 CB ASN A 30 9.331 5.582 -3.847 1.00 0.00 C ATOM 436 CG ASN A 30 10.203 6.631 -4.541 1.00 0.00 C ATOM 437 OD1 ASN A 30 9.942 7.006 -5.667 1.00 0.00 O ATOM 438 ND2 ASN A 30 11.236 7.123 -3.912 1.00 0.00 N ATOM 0 H ASN A 30 8.953 3.331 -5.936 1.00 0.00 H new ATOM 0 HA ASN A 30 10.775 4.220 -4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.294 5.689 -4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.351 5.733 -2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.824 7.822 -4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.455 6.808 -2.967 1.00 0.00 H new ATOM 445 N GLY A 31 9.682 2.159 -2.859 1.00 0.00 N ATOM 446 CA GLY A 31 9.923 1.334 -1.641 1.00 0.00 C ATOM 447 C GLY A 31 8.937 1.740 -0.543 1.00 0.00 C ATOM 448 O GLY A 31 9.299 1.876 0.609 1.00 0.00 O ATOM 0 H GLY A 31 9.165 1.693 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.805 0.276 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.947 1.471 -1.293 1.00 0.00 H new ATOM 452 N LYS A 32 7.692 1.934 -0.887 1.00 0.00 N ATOM 453 CA LYS A 32 6.688 2.328 0.144 1.00 0.00 C ATOM 454 C LYS A 32 5.289 1.867 -0.271 1.00 0.00 C ATOM 455 O LYS A 32 5.034 1.599 -1.425 1.00 0.00 O ATOM 456 CB LYS A 32 6.746 3.856 0.196 1.00 0.00 C ATOM 457 CG LYS A 32 8.182 4.314 0.452 1.00 0.00 C ATOM 458 CD LYS A 32 8.194 5.826 0.679 1.00 0.00 C ATOM 459 CE LYS A 32 8.766 6.132 2.064 1.00 0.00 C ATOM 460 NZ LYS A 32 9.741 7.235 1.838 1.00 0.00 N ATOM 0 H LYS A 32 7.327 1.837 -1.835 1.00 0.00 H new ATOM 0 HA LYS A 32 6.900 1.876 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.384 4.274 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.091 4.227 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.591 3.800 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.815 4.057 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.793 6.315 -0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.183 6.225 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.982 6.434 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.252 5.256 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.178 7.503 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.479 6.916 1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.248 8.057 1.435 1.00 0.00 H new ATOM 474 N CYS A 33 4.382 1.776 0.664 1.00 0.00 N ATOM 475 CA CYS A 33 2.997 1.328 0.328 1.00 0.00 C ATOM 476 C CYS A 33 2.119 2.542 0.001 1.00 0.00 C ATOM 477 O CYS A 33 2.133 3.534 0.706 1.00 0.00 O ATOM 478 CB CYS A 33 2.502 0.640 1.601 1.00 0.00 C ATOM 479 SG CYS A 33 1.606 -0.881 1.189 1.00 0.00 S ATOM 0 H CYS A 33 4.539 1.993 1.648 1.00 0.00 H new ATOM 0 HA CYS A 33 2.965 0.669 -0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.347 0.408 2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.850 1.314 2.157 1.00 0.00 H new ATOM 484 N LYS A 34 1.356 2.475 -1.058 1.00 0.00 N ATOM 485 CA LYS A 34 0.481 3.630 -1.418 1.00 0.00 C ATOM 486 C LYS A 34 -0.990 3.201 -1.450 1.00 0.00 C ATOM 487 O LYS A 34 -1.457 2.627 -2.413 1.00 0.00 O ATOM 488 CB LYS A 34 0.938 4.059 -2.812 1.00 0.00 C ATOM 489 CG LYS A 34 2.339 4.668 -2.727 1.00 0.00 C ATOM 490 CD LYS A 34 3.170 4.202 -3.924 1.00 0.00 C ATOM 491 CE LYS A 34 2.812 5.043 -5.153 1.00 0.00 C ATOM 492 NZ LYS A 34 2.234 4.073 -6.125 1.00 0.00 N ATOM 0 H LYS A 34 1.301 1.674 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 34 0.559 4.440 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.943 3.201 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.239 4.785 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.274 5.756 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.822 4.369 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.233 4.298 -3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.980 3.147 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.096 5.825 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.692 5.537 -5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.411 4.501 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.950 3.827 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.937 3.213 -5.622 1.00 0.00 H new ATOM 506 N CYS A 35 -1.722 3.481 -0.406 1.00 0.00 N ATOM 507 CA CYS A 35 -3.163 3.096 -0.379 1.00 0.00 C ATOM 508 C CYS A 35 -4.016 4.204 -1.006 1.00 0.00 C ATOM 509 O CYS A 35 -3.622 5.352 -1.050 1.00 0.00 O ATOM 510 CB CYS A 35 -3.502 2.935 1.103 1.00 0.00 C ATOM 511 SG CYS A 35 -2.342 1.774 1.868 1.00 0.00 S ATOM 0 H CYS A 35 -1.385 3.960 0.429 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.358 2.184 -0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.450 3.901 1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.523 2.572 1.216 1.00 0.00 H new ATOM 516 N TYR A 36 -5.182 3.871 -1.490 1.00 0.00 N ATOM 517 CA TYR A 36 -6.054 4.910 -2.110 1.00 0.00 C ATOM 518 C TYR A 36 -7.522 4.673 -1.721 1.00 0.00 C ATOM 519 O TYR A 36 -7.964 3.544 -1.659 1.00 0.00 O ATOM 520 CB TYR A 36 -5.866 4.733 -3.616 1.00 0.00 C ATOM 521 CG TYR A 36 -4.451 5.099 -3.989 1.00 0.00 C ATOM 522 CD1 TYR A 36 -3.926 6.337 -3.603 1.00 0.00 C ATOM 523 CD2 TYR A 36 -3.663 4.201 -4.718 1.00 0.00 C ATOM 524 CE1 TYR A 36 -2.614 6.678 -3.945 1.00 0.00 C ATOM 525 CE2 TYR A 36 -2.349 4.542 -5.061 1.00 0.00 C ATOM 526 CZ TYR A 36 -1.824 5.781 -4.675 1.00 0.00 C ATOM 527 OH TYR A 36 -0.529 6.117 -5.012 1.00 0.00 O ATOM 0 H TYR A 36 -5.568 2.927 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.796 5.916 -1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.074 3.702 -3.901 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.572 5.362 -4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.535 7.030 -3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.068 3.245 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.209 7.634 -3.646 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.741 3.849 -5.623 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.100 6.566 -4.254 1.00 0.00 H new ATOM 537 N PRO A 37 -8.237 5.746 -1.473 1.00 0.00 N ATOM 538 CA PRO A 37 -9.665 5.637 -1.092 1.00 0.00 C ATOM 539 C PRO A 37 -10.477 5.016 -2.232 1.00 0.00 C ATOM 540 O PRO A 37 -10.214 5.356 -3.374 1.00 0.00 O ATOM 541 CB PRO A 37 -10.068 7.096 -0.865 1.00 0.00 C ATOM 542 CG PRO A 37 -8.847 7.996 -1.133 1.00 0.00 C ATOM 543 CD PRO A 37 -7.665 7.112 -1.555 1.00 0.00 C ATOM 544 OXT PRO A 37 -11.349 4.212 -1.943 1.00 0.00 O ATOM 0 HA PRO A 37 -9.838 5.004 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.890 7.368 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.422 7.235 0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.076 8.719 -1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.593 8.564 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.322 7.348 -2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.810 7.234 -0.890 1.00 0.00 H new TER 552 PRO A 37