USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=9 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 11 LYS NZ :NH3+ -145:sc= 1.24 (180deg=-0.184) USER MOD Set 1.2: A 12 GLN : amide:sc= 1.06 K(o=2.3,f=-6.4) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0.522 USER MOD Set 2.2: A 9 SER OG : rot 50:sc= 0.574 USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 1.11 (180deg=1.06) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 1.28 (180deg=0.63) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.16) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.5 X(o=0.5,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 1.76 (180deg=1.61) USER MOD Single : A 35 LYS NZ :NH3+ -124:sc= 2.46 (180deg=-0.125) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 2.611 2.557 -2.816 1.00 1.00 N ATOM 18 CA VAL A 2 2.557 3.834 -3.477 1.00 1.00 C ATOM 19 C VAL A 2 2.564 3.384 -4.913 1.00 1.00 C ATOM 20 O VAL A 2 3.279 2.455 -5.269 1.00 1.00 O ATOM 21 CB VAL A 2 3.765 4.734 -3.234 1.00 1.00 C ATOM 22 CG1 VAL A 2 3.641 6.053 -4.025 1.00 1.00 C ATOM 23 CG2 VAL A 2 3.911 5.029 -1.730 1.00 1.00 C ATOM 0 HA VAL A 2 1.715 4.437 -3.138 1.00 1.00 H new ATOM 0 HB VAL A 2 4.655 4.211 -3.583 1.00 1.00 H new ATOM 0 HG11 VAL A 2 4.515 6.676 -3.834 1.00 1.00 H new ATOM 0 HG12 VAL A 2 3.578 5.834 -5.091 1.00 1.00 H new ATOM 0 HG13 VAL A 2 2.742 6.583 -3.710 1.00 1.00 H new ATOM 0 HG21 VAL A 2 4.776 5.672 -1.568 1.00 1.00 H new ATOM 0 HG22 VAL A 2 3.013 5.531 -1.369 1.00 1.00 H new ATOM 0 HG23 VAL A 2 4.047 4.094 -1.187 1.00 1.00 H new ATOM 33 N ILE A 3 1.696 3.971 -5.727 1.00 1.00 N ATOM 34 CA ILE A 3 1.488 3.676 -7.113 1.00 1.00 C ATOM 35 C ILE A 3 2.140 4.800 -7.934 1.00 1.00 C ATOM 36 O ILE A 3 3.119 5.443 -7.540 1.00 1.00 O ATOM 37 CB ILE A 3 -0.028 3.585 -7.346 1.00 1.00 C ATOM 38 CG1 ILE A 3 -0.787 3.022 -6.105 1.00 1.00 C ATOM 39 CG2 ILE A 3 -0.277 2.678 -8.569 1.00 1.00 C ATOM 40 CD1 ILE A 3 -2.264 2.669 -6.360 1.00 1.00 C ATOM 0 H ILE A 3 1.082 4.717 -5.399 1.00 1.00 H new ATOM 0 HA ILE A 3 1.937 2.730 -7.417 1.00 1.00 H new ATOM 0 HB ILE A 3 -0.411 4.591 -7.521 1.00 1.00 H new ATOM 0 HG12 ILE A 3 -0.270 2.129 -5.754 1.00 1.00 H new ATOM 0 HG13 ILE A 3 -0.737 3.757 -5.301 1.00 1.00 H new ATOM 0 HG21 ILE A 3 -1.349 2.600 -8.752 1.00 1.00 H new ATOM 0 HG22 ILE A 3 0.210 3.106 -9.445 1.00 1.00 H new ATOM 0 HG23 ILE A 3 0.131 1.686 -8.375 1.00 1.00 H new ATOM 0 HD11 ILE A 3 -2.710 2.286 -5.442 1.00 1.00 H new ATOM 0 HD12 ILE A 3 -2.802 3.562 -6.679 1.00 1.00 H new ATOM 0 HD13 ILE A 3 -2.327 1.909 -7.139 1.00 1.00 H new ATOM 52 N ASP A 4 1.540 5.132 -9.080 1.00 1.00 N ATOM 53 CA ASP A 4 1.773 6.341 -9.821 1.00 1.00 C ATOM 54 C ASP A 4 0.458 7.056 -10.022 1.00 1.00 C ATOM 55 O ASP A 4 0.103 7.595 -11.066 1.00 1.00 O ATOM 56 CB ASP A 4 2.610 6.146 -11.107 1.00 1.00 C ATOM 57 CG ASP A 4 3.507 7.352 -11.245 1.00 1.00 C ATOM 58 OD1 ASP A 4 2.992 8.494 -11.323 1.00 1.00 O ATOM 59 OD2 ASP A 4 4.741 7.181 -11.101 1.00 1.00 O ATOM 0 H ASP A 4 0.849 4.527 -9.524 1.00 1.00 H new ATOM 0 HA ASP A 4 2.420 6.990 -9.231 1.00 1.00 H new ATOM 0 HB2 ASP A 4 3.201 5.232 -11.046 1.00 1.00 H new ATOM 0 HB3 ASP A 4 1.961 6.048 -11.977 1.00 1.00 H new ATOM 64 N VAL A 5 -0.260 7.122 -8.903 1.00 1.00 N ATOM 65 CA VAL A 5 -1.320 8.070 -8.703 1.00 1.00 C ATOM 66 C VAL A 5 -0.668 9.268 -8.060 1.00 1.00 C ATOM 67 O VAL A 5 -0.277 9.243 -6.887 1.00 1.00 O ATOM 68 CB VAL A 5 -2.453 7.562 -7.835 1.00 1.00 C ATOM 69 CG1 VAL A 5 -3.500 8.684 -7.667 1.00 1.00 C ATOM 70 CG2 VAL A 5 -3.094 6.337 -8.507 1.00 1.00 C ATOM 0 H VAL A 5 -0.109 6.503 -8.106 1.00 1.00 H new ATOM 0 HA VAL A 5 -1.790 8.294 -9.660 1.00 1.00 H new ATOM 0 HB VAL A 5 -2.075 7.273 -6.854 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -4.319 8.327 -7.043 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -3.034 9.548 -7.194 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -3.887 8.970 -8.645 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -3.910 5.967 -7.886 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -3.482 6.620 -9.486 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -2.345 5.554 -8.626 1.00 1.00 H new ATOM 80 N LYS A 6 -0.495 10.333 -8.855 1.00 1.00 N ATOM 81 CA LYS A 6 -0.055 11.621 -8.387 1.00 1.00 C ATOM 82 C LYS A 6 -1.298 12.430 -8.108 1.00 1.00 C ATOM 83 O LYS A 6 -2.252 12.426 -8.885 1.00 1.00 O ATOM 84 CB LYS A 6 0.921 12.360 -9.336 1.00 1.00 C ATOM 85 CG LYS A 6 1.450 11.537 -10.532 1.00 1.00 C ATOM 86 CD LYS A 6 0.546 11.650 -11.778 1.00 1.00 C ATOM 87 CE LYS A 6 0.612 10.487 -12.783 1.00 1.00 C ATOM 88 NZ LYS A 6 2.000 10.097 -13.088 1.00 1.00 N ATOM 0 H LYS A 6 -0.665 10.305 -9.860 1.00 1.00 H new ATOM 0 HA LYS A 6 0.542 11.479 -7.486 1.00 1.00 H new ATOM 0 HB2 LYS A 6 0.419 13.247 -9.723 1.00 1.00 H new ATOM 0 HB3 LYS A 6 1.774 12.706 -8.752 1.00 1.00 H new ATOM 0 HG2 LYS A 6 2.455 11.876 -10.785 1.00 1.00 H new ATOM 0 HG3 LYS A 6 1.531 10.490 -10.240 1.00 1.00 H new ATOM 0 HD2 LYS A 6 -0.486 11.752 -11.442 1.00 1.00 H new ATOM 0 HD3 LYS A 6 0.803 12.570 -12.303 1.00 1.00 H new ATOM 0 HE2 LYS A 6 0.075 9.629 -12.379 1.00 1.00 H new ATOM 0 HE3 LYS A 6 0.106 10.775 -13.704 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 2.006 9.433 -13.888 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 2.552 10.943 -13.336 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 2.423 9.640 -12.255 1.00 1.00 H new ATOM 102 N CYS A 7 -1.360 13.064 -6.935 1.00 1.00 N ATOM 103 CA CYS A 7 -2.619 13.531 -6.418 1.00 1.00 C ATOM 104 C CYS A 7 -2.598 14.802 -5.605 1.00 1.00 C ATOM 105 O CYS A 7 -1.604 15.238 -5.035 1.00 1.00 O ATOM 106 CB CYS A 7 -3.266 12.425 -5.540 1.00 1.00 C ATOM 107 SG CYS A 7 -2.117 11.526 -4.445 1.00 1.00 S ATOM 0 H CYS A 7 -0.554 13.258 -6.341 1.00 1.00 H new ATOM 0 HA CYS A 7 -3.189 13.765 -7.317 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -4.044 12.880 -4.927 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -3.756 11.705 -6.195 1.00 1.00 H new ATOM 112 N THR A 8 -3.811 15.368 -5.493 1.00 1.00 N ATOM 113 CA THR A 8 -4.244 16.243 -4.410 1.00 1.00 C ATOM 114 C THR A 8 -4.841 15.415 -3.291 1.00 1.00 C ATOM 115 O THR A 8 -4.573 15.571 -2.103 1.00 1.00 O ATOM 116 CB THR A 8 -5.223 17.343 -4.903 1.00 1.00 C ATOM 117 OG1 THR A 8 -6.221 17.731 -3.959 1.00 1.00 O ATOM 118 CG2 THR A 8 -6.004 16.885 -6.149 1.00 1.00 C ATOM 0 H THR A 8 -4.542 15.217 -6.188 1.00 1.00 H new ATOM 0 HA THR A 8 -3.371 16.769 -4.024 1.00 1.00 H new ATOM 0 HB THR A 8 -4.561 18.187 -5.098 1.00 1.00 H new ATOM 0 HG1 THR A 8 -6.790 18.426 -4.351 1.00 1.00 H new ATOM 0 HG21 THR A 8 -6.680 17.679 -6.467 1.00 1.00 H new ATOM 0 HG22 THR A 8 -5.305 16.659 -6.954 1.00 1.00 H new ATOM 0 HG23 THR A 8 -6.581 15.992 -5.909 1.00 1.00 H new ATOM 126 N SER A 9 -5.709 14.498 -3.695 1.00 1.00 N ATOM 127 CA SER A 9 -6.833 14.043 -2.891 1.00 1.00 C ATOM 128 C SER A 9 -6.860 12.537 -2.759 1.00 1.00 C ATOM 129 O SER A 9 -6.394 11.852 -3.673 1.00 1.00 O ATOM 130 CB SER A 9 -8.166 14.484 -3.544 1.00 1.00 C ATOM 131 OG SER A 9 -8.415 15.865 -3.302 1.00 1.00 O ATOM 0 H SER A 9 -5.650 14.042 -4.606 1.00 1.00 H new ATOM 0 HA SER A 9 -6.715 14.487 -1.903 1.00 1.00 H new ATOM 0 HB2 SER A 9 -8.129 14.299 -4.618 1.00 1.00 H new ATOM 0 HB3 SER A 9 -8.986 13.887 -3.146 1.00 1.00 H new ATOM 0 HG SER A 9 -7.620 16.387 -3.537 1.00 1.00 H new ATOM 137 N PRO A 10 -7.424 11.949 -1.693 1.00 1.00 N ATOM 138 CA PRO A 10 -7.460 10.494 -1.502 1.00 1.00 C ATOM 139 C PRO A 10 -8.298 9.807 -2.549 1.00 1.00 C ATOM 140 O PRO A 10 -7.944 8.713 -2.983 1.00 1.00 O ATOM 141 CB PRO A 10 -8.078 10.322 -0.098 1.00 1.00 C ATOM 142 CG PRO A 10 -8.874 11.607 0.142 1.00 1.00 C ATOM 143 CD PRO A 10 -8.039 12.664 -0.563 1.00 1.00 C ATOM 0 HA PRO A 10 -6.471 10.044 -1.592 1.00 1.00 H new ATOM 0 HB2 PRO A 10 -8.723 9.444 -0.055 1.00 1.00 H new ATOM 0 HB3 PRO A 10 -7.306 10.188 0.660 1.00 1.00 H new ATOM 0 HG2 PRO A 10 -9.879 11.543 -0.275 1.00 1.00 H new ATOM 0 HG3 PRO A 10 -8.983 11.822 1.205 1.00 1.00 H new ATOM 0 HD2 PRO A 10 -8.656 13.494 -0.906 1.00 1.00 H new ATOM 0 HD3 PRO A 10 -7.283 13.082 0.102 1.00 1.00 H new ATOM 151 N LYS A 11 -9.375 10.471 -3.015 1.00 1.00 N ATOM 152 CA LYS A 11 -10.316 10.022 -4.029 1.00 1.00 C ATOM 153 C LYS A 11 -9.625 9.412 -5.224 1.00 1.00 C ATOM 154 O LYS A 11 -9.914 8.309 -5.678 1.00 1.00 O ATOM 155 CB LYS A 11 -11.155 11.247 -4.493 1.00 1.00 C ATOM 156 CG LYS A 11 -12.082 11.017 -5.707 1.00 1.00 C ATOM 157 CD LYS A 11 -12.652 12.348 -6.232 1.00 1.00 C ATOM 158 CE LYS A 11 -13.414 12.266 -7.562 1.00 1.00 C ATOM 159 NZ LYS A 11 -12.532 11.755 -8.637 1.00 1.00 N ATOM 0 H LYS A 11 -9.616 11.397 -2.661 1.00 1.00 H new ATOM 0 HA LYS A 11 -10.947 9.249 -3.590 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -11.765 11.582 -3.654 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -10.470 12.060 -4.734 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -11.528 10.517 -6.501 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -12.900 10.355 -5.423 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -13.321 12.759 -5.476 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -11.830 13.054 -6.348 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -14.279 11.612 -7.452 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -13.792 13.252 -7.832 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -12.774 12.220 -9.535 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -11.540 11.958 -8.399 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -12.661 10.728 -8.733 1.00 1.00 H new ATOM 173 N GLN A 12 -8.619 10.144 -5.710 1.00 1.00 N ATOM 174 CA GLN A 12 -7.883 9.851 -6.919 1.00 1.00 C ATOM 175 C GLN A 12 -7.105 8.550 -6.867 1.00 1.00 C ATOM 176 O GLN A 12 -6.808 7.957 -7.895 1.00 1.00 O ATOM 177 CB GLN A 12 -6.941 11.036 -7.248 1.00 1.00 C ATOM 178 CG GLN A 12 -7.677 12.390 -7.426 1.00 1.00 C ATOM 179 CD GLN A 12 -8.643 12.381 -8.613 1.00 1.00 C ATOM 180 OE1 GLN A 12 -9.870 12.303 -8.466 1.00 1.00 O ATOM 181 NE2 GLN A 12 -8.075 12.479 -9.833 1.00 1.00 N ATOM 0 H GLN A 12 -8.290 10.990 -5.244 1.00 1.00 H new ATOM 0 HA GLN A 12 -8.620 9.719 -7.712 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -6.205 11.135 -6.450 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -6.392 10.809 -8.162 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -8.228 12.623 -6.515 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -6.943 13.183 -7.565 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -7.061 12.542 -9.920 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -8.660 12.490 -10.668 1.00 1.00 H new ATOM 190 N CYS A 13 -6.786 8.064 -5.656 1.00 1.00 N ATOM 191 CA CYS A 13 -6.088 6.802 -5.488 1.00 1.00 C ATOM 192 C CYS A 13 -6.993 5.705 -4.976 1.00 1.00 C ATOM 193 O CYS A 13 -6.607 4.536 -4.918 1.00 1.00 O ATOM 194 CB CYS A 13 -4.919 6.985 -4.512 1.00 1.00 C ATOM 195 SG CYS A 13 -3.733 5.599 -4.543 1.00 1.00 S ATOM 0 H CYS A 13 -7.007 8.538 -4.780 1.00 1.00 H new ATOM 0 HA CYS A 13 -5.725 6.502 -6.471 1.00 1.00 H new ATOM 0 HB2 CYS A 13 -4.394 7.909 -4.753 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -5.312 7.096 -3.501 1.00 1.00 H new ATOM 200 N LEU A 14 -8.241 6.040 -4.599 1.00 1.00 N ATOM 201 CA LEU A 14 -9.112 5.089 -3.942 1.00 1.00 C ATOM 202 C LEU A 14 -9.491 3.897 -4.819 1.00 1.00 C ATOM 203 O LEU A 14 -9.278 2.774 -4.357 1.00 1.00 O ATOM 204 CB LEU A 14 -10.333 5.785 -3.292 1.00 1.00 C ATOM 205 CG LEU A 14 -11.213 4.873 -2.408 1.00 1.00 C ATOM 206 CD1 LEU A 14 -10.435 4.268 -1.227 1.00 1.00 C ATOM 207 CD2 LEU A 14 -12.426 5.653 -1.884 1.00 1.00 C ATOM 0 H LEU A 14 -8.653 6.962 -4.744 1.00 1.00 H new ATOM 0 HA LEU A 14 -8.531 4.653 -3.129 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -9.977 6.618 -2.686 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -10.954 6.208 -4.082 1.00 1.00 H new ATOM 0 HG LEU A 14 -11.546 4.047 -3.037 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -11.100 3.636 -0.639 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -9.607 3.669 -1.606 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -10.046 5.069 -0.599 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -13.038 4.999 -1.263 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -12.085 6.502 -1.291 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -13.018 6.013 -2.725 1.00 1.00 H new ATOM 219 N PRO A 15 -9.980 4.006 -6.060 1.00 1.00 N ATOM 220 CA PRO A 15 -10.217 2.834 -6.889 1.00 1.00 C ATOM 221 C PRO A 15 -8.976 1.998 -7.222 1.00 1.00 C ATOM 222 O PRO A 15 -9.177 0.789 -7.138 1.00 1.00 O ATOM 223 CB PRO A 15 -11.001 3.353 -8.111 1.00 1.00 C ATOM 224 CG PRO A 15 -10.793 4.875 -8.153 1.00 1.00 C ATOM 225 CD PRO A 15 -10.296 5.260 -6.756 1.00 1.00 C ATOM 0 HA PRO A 15 -10.795 2.090 -6.341 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -10.641 2.887 -9.028 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -12.060 3.109 -8.024 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -10.067 5.151 -8.918 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -11.722 5.391 -8.395 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -9.415 5.899 -6.821 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -11.058 5.821 -6.215 1.00 1.00 H new ATOM 233 N PRO A 16 -7.739 2.404 -7.556 1.00 1.00 N ATOM 234 CA PRO A 16 -6.639 1.454 -7.713 1.00 1.00 C ATOM 235 C PRO A 16 -6.205 0.829 -6.411 1.00 1.00 C ATOM 236 O PRO A 16 -5.938 -0.360 -6.345 1.00 1.00 O ATOM 237 CB PRO A 16 -5.503 2.264 -8.355 1.00 1.00 C ATOM 238 CG PRO A 16 -5.871 3.733 -8.138 1.00 1.00 C ATOM 239 CD PRO A 16 -7.397 3.715 -8.102 1.00 1.00 C ATOM 0 HA PRO A 16 -6.944 0.607 -8.327 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -4.544 2.028 -7.894 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -5.411 2.036 -9.417 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -5.452 4.119 -7.209 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.496 4.364 -8.943 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -7.788 4.518 -7.478 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.818 3.851 -9.098 1.00 1.00 H new ATOM 247 N CYS A 17 -6.144 1.597 -5.319 1.00 1.00 N ATOM 248 CA CYS A 17 -5.792 1.077 -4.016 1.00 1.00 C ATOM 249 C CYS A 17 -6.717 -0.050 -3.595 1.00 1.00 C ATOM 250 O CYS A 17 -6.318 -1.124 -3.151 1.00 1.00 O ATOM 251 CB CYS A 17 -5.779 2.179 -2.938 1.00 1.00 C ATOM 252 SG CYS A 17 -5.134 1.624 -1.327 1.00 1.00 S ATOM 0 H CYS A 17 -6.340 2.598 -5.325 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.781 0.680 -4.107 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -5.175 3.014 -3.293 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -6.793 2.554 -2.803 1.00 1.00 H new ATOM 257 N LYS A 18 -8.012 0.161 -3.819 1.00 1.00 N ATOM 258 CA LYS A 18 -9.052 -0.808 -3.615 1.00 1.00 C ATOM 259 C LYS A 18 -9.094 -1.966 -4.584 1.00 1.00 C ATOM 260 O LYS A 18 -9.694 -3.000 -4.288 1.00 1.00 O ATOM 261 CB LYS A 18 -10.396 -0.006 -3.645 1.00 1.00 C ATOM 262 CG LYS A 18 -11.762 -0.715 -3.518 1.00 1.00 C ATOM 263 CD LYS A 18 -12.237 -0.961 -2.072 1.00 1.00 C ATOM 264 CE LYS A 18 -11.227 -1.645 -1.182 1.00 1.00 C ATOM 265 NZ LYS A 18 -10.974 -2.930 -1.821 1.00 1.00 N ATOM 0 H LYS A 18 -8.366 1.054 -4.162 1.00 1.00 H new ATOM 0 HA LYS A 18 -8.860 -1.306 -2.665 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -10.344 0.729 -2.841 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -10.413 0.549 -4.583 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -12.514 -0.118 -4.035 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -11.706 -1.673 -4.034 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -12.505 -0.004 -1.625 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -13.144 -1.565 -2.100 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -10.312 -1.058 -1.099 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -11.615 -1.776 -0.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -10.164 -3.392 -1.362 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -11.815 -3.535 -1.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -10.762 -2.781 -2.828 1.00 1.00 H new ATOM 279 N ALA A 19 -8.487 -1.791 -5.754 1.00 1.00 N ATOM 280 CA ALA A 19 -8.381 -2.772 -6.808 1.00 1.00 C ATOM 281 C ALA A 19 -7.424 -3.884 -6.478 1.00 1.00 C ATOM 282 O ALA A 19 -7.751 -5.050 -6.282 1.00 1.00 O ATOM 283 CB ALA A 19 -7.874 -2.079 -8.086 1.00 1.00 C ATOM 0 H ALA A 19 -8.034 -0.910 -5.997 1.00 1.00 H new ATOM 0 HA ALA A 19 -9.372 -3.205 -6.941 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -7.790 -2.812 -8.889 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -8.576 -1.298 -8.379 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -6.896 -1.636 -7.896 1.00 1.00 H new ATOM 289 N GLN A 20 -6.160 -3.454 -6.494 1.00 1.00 N ATOM 290 CA GLN A 20 -4.976 -4.228 -6.628 1.00 1.00 C ATOM 291 C GLN A 20 -4.503 -4.619 -5.266 1.00 1.00 C ATOM 292 O GLN A 20 -4.024 -5.717 -5.009 1.00 1.00 O ATOM 293 CB GLN A 20 -3.841 -3.387 -7.281 1.00 1.00 C ATOM 294 CG GLN A 20 -4.140 -2.843 -8.695 1.00 1.00 C ATOM 295 CD GLN A 20 -3.024 -1.902 -9.152 1.00 1.00 C ATOM 296 OE1 GLN A 20 -2.974 -0.722 -8.798 1.00 1.00 O ATOM 297 NE2 GLN A 20 -2.082 -2.427 -9.964 1.00 1.00 N ATOM 0 H GLN A 20 -5.947 -2.461 -6.404 1.00 1.00 H new ATOM 0 HA GLN A 20 -5.200 -5.097 -7.247 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -3.616 -2.544 -6.627 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -2.942 -4.001 -7.330 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -4.236 -3.671 -9.397 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -5.093 -2.314 -8.694 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -2.140 -3.405 -10.246 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -1.312 -1.845 -10.295 1.00 1.00 H new ATOM 306 N PHE A 21 -4.574 -3.629 -4.370 1.00 1.00 N ATOM 307 CA PHE A 21 -3.812 -3.647 -3.166 1.00 1.00 C ATOM 308 C PHE A 21 -4.572 -4.167 -1.975 1.00 1.00 C ATOM 309 O PHE A 21 -3.976 -4.780 -1.096 1.00 1.00 O ATOM 310 CB PHE A 21 -3.239 -2.234 -2.966 1.00 1.00 C ATOM 311 CG PHE A 21 -2.107 -1.997 -3.935 1.00 1.00 C ATOM 312 CD1 PHE A 21 -0.988 -2.850 -3.943 1.00 1.00 C ATOM 313 CD2 PHE A 21 -2.196 -0.989 -4.910 1.00 1.00 C ATOM 314 CE1 PHE A 21 -0.007 -2.731 -4.935 1.00 1.00 C ATOM 315 CE2 PHE A 21 -1.213 -0.862 -5.898 1.00 1.00 C ATOM 316 CZ PHE A 21 -0.122 -1.736 -5.914 1.00 1.00 C ATOM 0 H PHE A 21 -5.166 -2.806 -4.480 1.00 1.00 H new ATOM 0 HA PHE A 21 -2.996 -4.364 -3.259 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -4.021 -1.490 -3.118 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -2.883 -2.118 -1.942 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -0.885 -3.604 -3.177 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -3.032 -0.305 -4.897 1.00 1.00 H new ATOM 0 HE1 PHE A 21 0.837 -3.405 -4.945 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -1.297 -0.089 -6.648 1.00 1.00 H new ATOM 0 HZ PHE A 21 0.632 -1.644 -6.681 1.00 1.00 H new ATOM 326 N GLY A 22 -5.905 -4.004 -1.882 1.00 1.00 N ATOM 327 CA GLY A 22 -6.552 -4.832 -0.877 1.00 1.00 C ATOM 328 C GLY A 22 -8.018 -4.639 -0.754 1.00 1.00 C ATOM 329 O GLY A 22 -8.560 -3.613 -1.130 1.00 1.00 O ATOM 0 H GLY A 22 -6.494 -3.376 -2.429 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -6.357 -5.879 -1.110 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -6.092 -4.629 0.090 1.00 1.00 H new ATOM 333 N ILE A 23 -8.735 -5.626 -0.186 1.00 1.00 N ATOM 334 CA ILE A 23 -10.176 -5.680 -0.070 1.00 1.00 C ATOM 335 C ILE A 23 -10.748 -4.684 0.907 1.00 1.00 C ATOM 336 O ILE A 23 -11.800 -4.107 0.648 1.00 1.00 O ATOM 337 CB ILE A 23 -10.601 -7.120 0.204 1.00 1.00 C ATOM 338 CG1 ILE A 23 -12.134 -7.260 0.140 1.00 1.00 C ATOM 339 CG2 ILE A 23 -10.020 -7.634 1.543 1.00 1.00 C ATOM 340 CD1 ILE A 23 -12.622 -8.713 0.136 1.00 1.00 C ATOM 0 H ILE A 23 -8.285 -6.445 0.222 1.00 1.00 H new ATOM 0 HA ILE A 23 -10.607 -5.367 -1.021 1.00 1.00 H new ATOM 0 HB ILE A 23 -10.186 -7.753 -0.580 1.00 1.00 H new ATOM 0 HG12 ILE A 23 -12.573 -6.741 0.992 1.00 1.00 H new ATOM 0 HG13 ILE A 23 -12.498 -6.762 -0.758 1.00 1.00 H new ATOM 0 HG21 ILE A 23 -10.341 -8.662 1.708 1.00 1.00 H new ATOM 0 HG22 ILE A 23 -8.931 -7.596 1.506 1.00 1.00 H new ATOM 0 HG23 ILE A 23 -10.377 -7.007 2.359 1.00 1.00 H new ATOM 0 HD11 ILE A 23 -13.711 -8.731 0.090 1.00 1.00 H new ATOM 0 HD12 ILE A 23 -12.213 -9.232 -0.731 1.00 1.00 H new ATOM 0 HD13 ILE A 23 -12.289 -9.211 1.047 1.00 1.00 H new ATOM 352 N ARG A 24 -10.030 -4.397 1.999 1.00 1.00 N ATOM 353 CA ARG A 24 -10.385 -3.342 2.933 1.00 1.00 C ATOM 354 C ARG A 24 -9.596 -2.055 2.665 1.00 1.00 C ATOM 355 O ARG A 24 -9.924 -0.991 3.178 1.00 1.00 O ATOM 356 CB ARG A 24 -10.163 -3.873 4.369 1.00 1.00 C ATOM 357 CG ARG A 24 -10.533 -2.882 5.495 1.00 1.00 C ATOM 358 CD ARG A 24 -10.505 -3.459 6.915 1.00 1.00 C ATOM 359 NE ARG A 24 -9.161 -4.073 7.077 1.00 1.00 N ATOM 360 CZ ARG A 24 -8.656 -4.605 8.187 1.00 1.00 C ATOM 361 NH1 ARG A 24 -9.191 -4.409 9.381 1.00 1.00 N ATOM 362 NH2 ARG A 24 -7.512 -5.262 8.107 1.00 1.00 N ATOM 0 H ARG A 24 -9.180 -4.900 2.254 1.00 1.00 H new ATOM 0 HA ARG A 24 -11.434 -3.075 2.804 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -10.749 -4.783 4.499 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -9.115 -4.151 4.480 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -9.847 -2.036 5.451 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -11.532 -2.492 5.299 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -10.670 -2.678 7.657 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -11.292 -4.200 7.051 1.00 1.00 H new ATOM 0 HE ARG A 24 -8.563 -4.088 6.251 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -10.025 -3.830 9.477 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -8.769 -4.837 10.205 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -7.037 -5.352 7.209 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -7.104 -5.679 8.944 1.00 1.00 H new ATOM 376 N ALA A 25 -8.555 -2.126 1.806 1.00 1.00 N ATOM 377 CA ALA A 25 -7.552 -1.091 1.623 1.00 1.00 C ATOM 378 C ALA A 25 -8.030 0.300 1.246 1.00 1.00 C ATOM 379 O ALA A 25 -9.055 0.493 0.592 1.00 1.00 O ATOM 380 CB ALA A 25 -6.539 -1.536 0.554 1.00 1.00 C ATOM 0 H ALA A 25 -8.398 -2.938 1.209 1.00 1.00 H new ATOM 0 HA ALA A 25 -7.128 -0.986 2.622 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -5.788 -0.758 0.418 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -6.053 -2.458 0.874 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -7.057 -1.708 -0.389 1.00 1.00 H new ATOM 386 N GLY A 26 -7.238 1.320 1.638 1.00 1.00 N ATOM 387 CA GLY A 26 -7.644 2.710 1.494 1.00 1.00 C ATOM 388 C GLY A 26 -6.438 3.547 1.285 1.00 1.00 C ATOM 389 O GLY A 26 -5.312 3.095 1.447 1.00 1.00 O ATOM 0 H GLY A 26 -6.316 1.194 2.055 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -8.327 2.817 0.651 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -8.181 3.039 2.384 1.00 1.00 H new ATOM 393 N ALA A 27 -6.614 4.804 0.890 1.00 1.00 N ATOM 394 CA ALA A 27 -5.548 5.581 0.358 1.00 1.00 C ATOM 395 C ALA A 27 -5.696 7.012 0.772 1.00 1.00 C ATOM 396 O ALA A 27 -6.781 7.534 1.019 1.00 1.00 O ATOM 397 CB ALA A 27 -5.573 5.513 -1.168 1.00 1.00 C ATOM 0 H ALA A 27 -7.507 5.294 0.938 1.00 1.00 H new ATOM 0 HA ALA A 27 -4.607 5.183 0.737 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -4.755 6.109 -1.572 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -5.460 4.477 -1.488 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -6.522 5.904 -1.534 1.00 1.00 H new ATOM 403 N LYS A 28 -4.561 7.700 0.809 1.00 1.00 N ATOM 404 CA LYS A 28 -4.551 9.137 0.914 1.00 1.00 C ATOM 405 C LYS A 28 -3.382 9.634 0.138 1.00 1.00 C ATOM 406 O LYS A 28 -2.597 8.873 -0.405 1.00 1.00 O ATOM 407 CB LYS A 28 -4.671 9.705 2.366 1.00 1.00 C ATOM 408 CG LYS A 28 -3.702 9.147 3.426 1.00 1.00 C ATOM 409 CD LYS A 28 -2.240 9.629 3.356 1.00 1.00 C ATOM 410 CE LYS A 28 -1.853 10.774 4.306 1.00 1.00 C ATOM 411 NZ LYS A 28 -2.481 12.047 3.896 1.00 1.00 N ATOM 0 H LYS A 28 -3.635 7.274 0.767 1.00 1.00 H new ATOM 0 HA LYS A 28 -5.469 9.530 0.477 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -4.533 10.785 2.318 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -5.689 9.529 2.714 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -4.095 9.398 4.411 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -3.705 8.060 3.349 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.590 8.779 3.562 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -2.034 9.948 2.334 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -2.159 10.526 5.322 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -0.769 10.888 4.319 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -2.085 12.827 4.459 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -2.293 12.218 2.887 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.508 11.994 4.053 1.00 1.00 H new ATOM 425 N CYS A 29 -3.256 10.955 0.044 1.00 1.00 N ATOM 426 CA CYS A 29 -2.182 11.578 -0.690 1.00 1.00 C ATOM 427 C CYS A 29 -1.183 12.198 0.258 1.00 1.00 C ATOM 428 O CYS A 29 -1.540 12.635 1.357 1.00 1.00 O ATOM 429 CB CYS A 29 -2.714 12.629 -1.691 1.00 1.00 C ATOM 430 SG CYS A 29 -1.541 12.888 -3.052 1.00 1.00 S ATOM 0 H CYS A 29 -3.901 11.615 0.478 1.00 1.00 H new ATOM 0 HA CYS A 29 -1.678 10.802 -1.266 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -3.674 12.302 -2.091 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.890 13.572 -1.174 1.00 1.00 H new ATOM 435 N MET A 30 0.096 12.202 -0.119 1.00 1.00 N ATOM 436 CA MET A 30 1.154 12.922 0.535 1.00 1.00 C ATOM 437 C MET A 30 2.355 13.007 -0.377 1.00 1.00 C ATOM 438 O MET A 30 2.668 12.067 -1.110 1.00 1.00 O ATOM 439 CB MET A 30 1.580 12.182 1.811 1.00 1.00 C ATOM 440 CG MET A 30 2.534 12.930 2.754 1.00 1.00 C ATOM 441 SD MET A 30 2.849 11.985 4.271 1.00 1.00 S ATOM 442 CE MET A 30 4.035 13.179 4.952 1.00 1.00 C ATOM 0 H MET A 30 0.423 11.674 -0.928 1.00 1.00 H new ATOM 0 HA MET A 30 0.792 13.920 0.780 1.00 1.00 H new ATOM 0 HB2 MET A 30 0.681 11.923 2.371 1.00 1.00 H new ATOM 0 HB3 MET A 30 2.055 11.245 1.519 1.00 1.00 H new ATOM 0 HG2 MET A 30 3.477 13.122 2.242 1.00 1.00 H new ATOM 0 HG3 MET A 30 2.107 13.900 3.010 1.00 1.00 H new ATOM 0 HE1 MET A 30 4.395 12.824 5.918 1.00 1.00 H new ATOM 0 HE2 MET A 30 4.877 13.286 4.268 1.00 1.00 H new ATOM 0 HE3 MET A 30 3.546 14.145 5.080 1.00 1.00 H new ATOM 452 N ASN A 31 3.050 14.157 -0.362 1.00 1.00 N ATOM 453 CA ASN A 31 4.270 14.434 -1.109 1.00 1.00 C ATOM 454 C ASN A 31 4.019 14.306 -2.606 1.00 1.00 C ATOM 455 O ASN A 31 4.832 13.804 -3.377 1.00 1.00 O ATOM 456 CB ASN A 31 5.442 13.554 -0.600 1.00 1.00 C ATOM 457 CG ASN A 31 6.796 14.241 -0.753 1.00 1.00 C ATOM 458 OD1 ASN A 31 7.405 14.598 0.244 1.00 1.00 O ATOM 459 ND2 ASN A 31 7.276 14.436 -1.996 1.00 1.00 N ATOM 0 H ASN A 31 2.754 14.953 0.203 1.00 1.00 H new ATOM 0 HA ASN A 31 4.573 15.467 -0.935 1.00 1.00 H new ATOM 0 HB2 ASN A 31 5.279 13.309 0.449 1.00 1.00 H new ATOM 0 HB3 ASN A 31 5.451 12.613 -1.150 1.00 1.00 H new ATOM 0 HD21 ASN A 31 8.177 14.896 -2.129 1.00 1.00 H new ATOM 0 HD22 ASN A 31 6.739 14.124 -2.805 1.00 1.00 H new ATOM 466 N GLY A 32 2.806 14.718 -3.007 1.00 1.00 N ATOM 467 CA GLY A 32 2.330 14.645 -4.386 1.00 1.00 C ATOM 468 C GLY A 32 1.873 13.288 -4.863 1.00 1.00 C ATOM 469 O GLY A 32 1.374 13.172 -5.976 1.00 1.00 O ATOM 0 H GLY A 32 2.121 15.117 -2.366 1.00 1.00 H new ATOM 0 HA2 GLY A 32 1.502 15.345 -4.500 1.00 1.00 H new ATOM 0 HA3 GLY A 32 3.130 14.988 -5.043 1.00 1.00 H new ATOM 473 N LYS A 33 2.007 12.198 -4.074 1.00 1.00 N ATOM 474 CA LYS A 33 1.644 10.885 -4.547 1.00 1.00 C ATOM 475 C LYS A 33 0.860 10.159 -3.484 1.00 1.00 C ATOM 476 O LYS A 33 0.834 10.499 -2.302 1.00 1.00 O ATOM 477 CB LYS A 33 2.883 10.007 -4.906 1.00 1.00 C ATOM 478 CG LYS A 33 3.306 10.054 -6.384 1.00 1.00 C ATOM 479 CD LYS A 33 4.215 8.859 -6.741 1.00 1.00 C ATOM 480 CE LYS A 33 4.554 8.754 -8.234 1.00 1.00 C ATOM 481 NZ LYS A 33 5.137 7.431 -8.556 1.00 1.00 N ATOM 0 H LYS A 33 2.363 12.222 -3.118 1.00 1.00 H new ATOM 0 HA LYS A 33 1.053 11.036 -5.450 1.00 1.00 H new ATOM 0 HB2 LYS A 33 3.725 10.326 -4.292 1.00 1.00 H new ATOM 0 HB3 LYS A 33 2.667 8.973 -4.638 1.00 1.00 H new ATOM 0 HG2 LYS A 33 2.420 10.043 -7.019 1.00 1.00 H new ATOM 0 HG3 LYS A 33 3.832 10.987 -6.585 1.00 1.00 H new ATOM 0 HD2 LYS A 33 5.142 8.939 -6.174 1.00 1.00 H new ATOM 0 HD3 LYS A 33 3.727 7.937 -6.425 1.00 1.00 H new ATOM 0 HE2 LYS A 33 3.653 8.912 -8.827 1.00 1.00 H new ATOM 0 HE3 LYS A 33 5.257 9.541 -8.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 5.310 7.368 -9.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 6.035 7.314 -8.045 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 4.476 6.681 -8.270 1.00 1.00 H new ATOM 495 N CYS A 34 0.210 9.073 -3.900 1.00 1.00 N ATOM 496 CA CYS A 34 -0.582 8.235 -3.033 1.00 1.00 C ATOM 497 C CYS A 34 0.184 7.576 -1.902 1.00 1.00 C ATOM 498 O CYS A 34 1.411 7.476 -1.899 1.00 1.00 O ATOM 499 CB CYS A 34 -1.296 7.163 -3.884 1.00 1.00 C ATOM 500 SG CYS A 34 -2.492 6.090 -3.046 1.00 1.00 S ATOM 0 H CYS A 34 0.226 8.754 -4.869 1.00 1.00 H new ATOM 0 HA CYS A 34 -1.296 8.896 -2.542 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -1.812 7.670 -4.699 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -0.533 6.529 -4.335 1.00 1.00 H new ATOM 505 N LYS A 35 -0.548 7.137 -0.884 1.00 1.00 N ATOM 506 CA LYS A 35 -0.115 6.399 0.245 1.00 1.00 C ATOM 507 C LYS A 35 -1.294 5.476 0.432 1.00 1.00 C ATOM 508 O LYS A 35 -2.305 5.833 1.026 1.00 1.00 O ATOM 509 CB LYS A 35 0.131 7.289 1.492 1.00 1.00 C ATOM 510 CG LYS A 35 1.181 8.406 1.299 1.00 1.00 C ATOM 511 CD LYS A 35 2.612 7.883 1.062 1.00 1.00 C ATOM 512 CE LYS A 35 3.606 8.908 0.488 1.00 1.00 C ATOM 513 NZ LYS A 35 3.205 9.320 -0.867 1.00 1.00 N ATOM 0 H LYS A 35 -1.551 7.318 -0.848 1.00 1.00 H new ATOM 0 HA LYS A 35 0.845 5.900 0.110 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -0.814 7.746 1.786 1.00 1.00 H new ATOM 0 HB3 LYS A 35 0.448 6.652 2.318 1.00 1.00 H new ATOM 0 HG2 LYS A 35 0.886 9.026 0.452 1.00 1.00 H new ATOM 0 HG3 LYS A 35 1.180 9.048 2.180 1.00 1.00 H new ATOM 0 HD2 LYS A 35 3.006 7.512 2.008 1.00 1.00 H new ATOM 0 HD3 LYS A 35 2.561 7.032 0.382 1.00 1.00 H new ATOM 0 HE2 LYS A 35 3.653 9.780 1.140 1.00 1.00 H new ATOM 0 HE3 LYS A 35 4.606 8.476 0.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 3.988 9.144 -1.529 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 2.371 8.773 -1.164 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 2.972 10.334 -0.867 1.00 1.00 H new ATOM 527 N CYS A 36 -1.218 4.316 -0.214 1.00 1.00 N ATOM 528 CA CYS A 36 -2.210 3.258 -0.197 1.00 1.00 C ATOM 529 C CYS A 36 -1.867 2.279 0.900 1.00 1.00 C ATOM 530 O CYS A 36 -0.730 1.807 0.988 1.00 1.00 O ATOM 531 CB CYS A 36 -2.265 2.569 -1.583 1.00 1.00 C ATOM 532 SG CYS A 36 -3.239 1.037 -1.710 1.00 1.00 S ATOM 0 H CYS A 36 -0.414 4.081 -0.796 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.199 3.669 0.006 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -2.666 3.285 -2.301 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -1.243 2.347 -1.891 1.00 1.00 H new ATOM 537 N TYR A 37 -2.832 1.959 1.772 1.00 1.00 N ATOM 538 CA TYR A 37 -2.647 1.175 2.961 1.00 1.00 C ATOM 539 C TYR A 37 -3.373 -0.130 2.756 1.00 1.00 C ATOM 540 O TYR A 37 -4.593 -0.168 2.923 1.00 1.00 O ATOM 541 CB TYR A 37 -3.283 1.904 4.168 1.00 1.00 C ATOM 542 CG TYR A 37 -2.523 3.175 4.471 1.00 1.00 C ATOM 543 CD1 TYR A 37 -2.864 4.388 3.850 1.00 1.00 C ATOM 544 CD2 TYR A 37 -1.437 3.150 5.361 1.00 1.00 C ATOM 545 CE1 TYR A 37 -2.109 5.543 4.092 1.00 1.00 C ATOM 546 CE2 TYR A 37 -0.693 4.314 5.616 1.00 1.00 C ATOM 547 CZ TYR A 37 -1.025 5.509 4.969 1.00 1.00 C ATOM 548 OH TYR A 37 -0.275 6.681 5.195 1.00 1.00 O ATOM 0 H TYR A 37 -3.798 2.261 1.646 1.00 1.00 H new ATOM 0 HA TYR A 37 -1.585 1.018 3.152 1.00 1.00 H new ATOM 0 HB2 TYR A 37 -4.326 2.138 3.953 1.00 1.00 H new ATOM 0 HB3 TYR A 37 -3.277 1.251 5.041 1.00 1.00 H new ATOM 0 HD1 TYR A 37 -3.712 4.430 3.183 1.00 1.00 H new ATOM 0 HD2 TYR A 37 -1.171 2.227 5.854 1.00 1.00 H new ATOM 0 HE1 TYR A 37 -2.368 6.467 3.596 1.00 1.00 H new ATOM 0 HE2 TYR A 37 0.134 4.286 6.310 1.00 1.00 H new ATOM 0 HH TYR A 37 0.445 6.491 5.832 1.00 1.00 H new ATOM 558 N PRO A 38 -2.723 -1.217 2.367 1.00 1.00 N ATOM 559 CA PRO A 38 -3.377 -2.511 2.292 1.00 1.00 C ATOM 560 C PRO A 38 -3.497 -3.143 3.668 1.00 1.00 C ATOM 561 O PRO A 38 -2.716 -4.027 4.012 1.00 1.00 O ATOM 562 CB PRO A 38 -2.458 -3.304 1.348 1.00 1.00 C ATOM 563 CG PRO A 38 -1.062 -2.733 1.608 1.00 1.00 C ATOM 564 CD PRO A 38 -1.351 -1.256 1.862 1.00 1.00 C ATOM 0 HA PRO A 38 -4.404 -2.468 1.928 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -2.496 -4.372 1.561 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -2.752 -3.176 0.306 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -0.583 -3.206 2.465 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -0.400 -2.876 0.754 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -0.652 -0.837 2.586 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -1.251 -0.672 0.947 1.00 1.00 H new