USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 265 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 1 ASN : amide:sc=-0.00688 X(o=-1.4,f=-1.6) USER MOD Set 1.2: A 5 SER OG : rot 78:sc= -1.38 USER MOD Single : A 1 ASN N :NH3+ -162:sc= 0 (180deg=-0.324) USER MOD Single : A 9 ASN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.934 K(o=-0.93,f=-0.073) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.136) USER MOD Single : A 26 THR OG1 : rot 55:sc= 1.05 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -139:sc= -1.08 (180deg=-3.94!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 16.325 -10.652 -13.860 1.00 0.00 N ATOM 2 CA ASN A 1 17.315 -9.541 -13.953 1.00 0.00 C ATOM 3 C ASN A 1 18.347 -9.838 -15.045 1.00 0.00 C ATOM 4 O ASN A 1 19.531 -9.913 -14.787 1.00 0.00 O ATOM 5 CB ASN A 1 17.988 -9.491 -12.581 1.00 0.00 C ATOM 6 CG ASN A 1 16.955 -9.119 -11.517 1.00 0.00 C ATOM 7 OD1 ASN A 1 16.197 -8.186 -11.688 1.00 0.00 O ATOM 8 ND2 ASN A 1 16.895 -9.814 -10.413 1.00 0.00 N ATOM 0 H1 ASN A 1 15.478 -10.321 -13.355 1.00 0.00 H new ATOM 0 H2 ASN A 1 16.059 -10.961 -14.817 1.00 0.00 H new ATOM 0 H3 ASN A 1 16.746 -11.450 -13.343 1.00 0.00 H new ATOM 0 HA ASN A 1 16.844 -8.592 -14.211 1.00 0.00 H new ATOM 0 HB2 ASN A 1 18.433 -10.458 -12.348 1.00 0.00 H new ATOM 0 HB3 ASN A 1 18.797 -8.761 -12.588 1.00 0.00 H new ATOM 0 HD21 ASN A 1 16.212 -9.573 -9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 1 17.531 -10.598 -10.269 1.00 0.00 H new ATOM 17 N GLU A 2 17.908 -10.002 -16.263 1.00 0.00 N ATOM 18 CA GLU A 2 18.868 -10.285 -17.367 1.00 0.00 C ATOM 19 C GLU A 2 19.777 -9.073 -17.622 1.00 0.00 C ATOM 20 O GLU A 2 20.962 -9.232 -17.842 1.00 0.00 O ATOM 21 CB GLU A 2 18.000 -10.577 -18.594 1.00 0.00 C ATOM 22 CG GLU A 2 18.894 -10.989 -19.766 1.00 0.00 C ATOM 23 CD GLU A 2 19.533 -12.348 -19.471 1.00 0.00 C ATOM 24 OE1 GLU A 2 19.149 -12.962 -18.490 1.00 0.00 O ATOM 25 OE2 GLU A 2 20.397 -12.750 -20.233 1.00 0.00 O ATOM 0 H GLU A 2 16.928 -9.952 -16.541 1.00 0.00 H new ATOM 0 HA GLU A 2 19.525 -11.121 -17.127 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.289 -11.372 -18.369 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.418 -9.694 -18.859 1.00 0.00 H new ATOM 0 HG2 GLU A 2 18.307 -11.043 -20.683 1.00 0.00 H new ATOM 0 HG3 GLU A 2 19.668 -10.239 -19.927 1.00 0.00 H new ATOM 32 N PRO A 3 19.201 -7.894 -17.586 1.00 0.00 N ATOM 33 CA PRO A 3 19.996 -6.666 -17.821 1.00 0.00 C ATOM 34 C PRO A 3 20.779 -6.303 -16.554 1.00 0.00 C ATOM 35 O PRO A 3 21.075 -7.150 -15.735 1.00 0.00 O ATOM 36 CB PRO A 3 18.940 -5.612 -18.139 1.00 0.00 C ATOM 37 CG PRO A 3 17.690 -6.091 -17.472 1.00 0.00 C ATOM 38 CD PRO A 3 17.786 -7.589 -17.327 1.00 0.00 C ATOM 0 HA PRO A 3 20.733 -6.767 -18.618 1.00 0.00 H new ATOM 0 HB2 PRO A 3 19.236 -4.633 -17.763 1.00 0.00 H new ATOM 0 HB3 PRO A 3 18.797 -5.510 -19.215 1.00 0.00 H new ATOM 0 HG2 PRO A 3 17.574 -5.620 -16.496 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.815 -5.820 -18.063 1.00 0.00 H new ATOM 0 HD2 PRO A 3 17.487 -7.911 -16.330 1.00 0.00 H new ATOM 0 HD3 PRO A 3 17.134 -8.099 -18.036 1.00 0.00 H new ATOM 46 N VAL A 4 21.117 -5.053 -16.378 1.00 0.00 N ATOM 47 CA VAL A 4 21.876 -4.654 -15.158 1.00 0.00 C ATOM 48 C VAL A 4 20.917 -4.453 -13.980 1.00 0.00 C ATOM 49 O VAL A 4 19.860 -3.869 -14.121 1.00 0.00 O ATOM 50 CB VAL A 4 22.561 -3.339 -15.530 1.00 0.00 C ATOM 51 CG1 VAL A 4 23.394 -3.542 -16.797 1.00 0.00 C ATOM 52 CG2 VAL A 4 21.502 -2.264 -15.783 1.00 0.00 C ATOM 0 H VAL A 4 20.901 -4.294 -17.024 1.00 0.00 H new ATOM 0 HA VAL A 4 22.596 -5.413 -14.851 1.00 0.00 H new ATOM 0 HB VAL A 4 23.210 -3.023 -14.713 1.00 0.00 H new ATOM 0 HG11 VAL A 4 23.884 -2.606 -17.064 1.00 0.00 H new ATOM 0 HG12 VAL A 4 24.149 -4.308 -16.617 1.00 0.00 H new ATOM 0 HG13 VAL A 4 22.744 -3.858 -17.613 1.00 0.00 H new ATOM 0 HG21 VAL A 4 21.991 -1.327 -16.048 1.00 0.00 H new ATOM 0 HG22 VAL A 4 20.853 -2.578 -16.600 1.00 0.00 H new ATOM 0 HG23 VAL A 4 20.907 -2.120 -14.881 1.00 0.00 H new ATOM 62 N SER A 5 21.272 -4.939 -12.821 1.00 0.00 N ATOM 63 CA SER A 5 20.372 -4.782 -11.640 1.00 0.00 C ATOM 64 C SER A 5 21.148 -4.225 -10.445 1.00 0.00 C ATOM 65 O SER A 5 22.360 -4.288 -10.393 1.00 0.00 O ATOM 66 CB SER A 5 19.867 -6.192 -11.340 1.00 0.00 C ATOM 67 OG SER A 5 18.988 -6.611 -12.373 1.00 0.00 O ATOM 0 H SER A 5 22.144 -5.437 -12.640 1.00 0.00 H new ATOM 0 HA SER A 5 19.556 -4.086 -11.835 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.708 -6.882 -11.262 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.351 -6.208 -10.380 1.00 0.00 H new ATOM 0 HG SER A 5 19.510 -6.885 -13.156 1.00 0.00 H new ATOM 73 N CYS A 6 20.457 -3.682 -9.481 1.00 0.00 N ATOM 74 CA CYS A 6 21.153 -3.121 -8.288 1.00 0.00 C ATOM 75 C CYS A 6 22.190 -2.082 -8.724 1.00 0.00 C ATOM 76 O CYS A 6 23.213 -1.909 -8.093 1.00 0.00 O ATOM 77 CB CYS A 6 21.835 -4.320 -7.627 1.00 0.00 C ATOM 78 SG CYS A 6 22.651 -3.785 -6.103 1.00 0.00 S ATOM 0 H CYS A 6 19.440 -3.602 -9.467 1.00 0.00 H new ATOM 0 HA CYS A 6 20.468 -2.618 -7.606 1.00 0.00 H new ATOM 0 HB2 CYS A 6 21.100 -5.094 -7.406 1.00 0.00 H new ATOM 0 HB3 CYS A 6 22.564 -4.758 -8.308 1.00 0.00 H new ATOM 83 N ILE A 7 21.931 -1.387 -9.800 1.00 0.00 N ATOM 84 CA ILE A 7 22.902 -0.357 -10.275 1.00 0.00 C ATOM 85 C ILE A 7 22.291 1.042 -10.154 1.00 0.00 C ATOM 86 O ILE A 7 22.964 2.040 -10.320 1.00 0.00 O ATOM 87 CB ILE A 7 23.170 -0.702 -11.742 1.00 0.00 C ATOM 88 CG1 ILE A 7 21.890 -0.520 -12.559 1.00 0.00 C ATOM 89 CG2 ILE A 7 23.635 -2.154 -11.852 1.00 0.00 C ATOM 90 CD1 ILE A 7 22.255 -0.164 -14.002 1.00 0.00 C ATOM 0 H ILE A 7 21.091 -1.487 -10.370 1.00 0.00 H new ATOM 0 HA ILE A 7 23.819 -0.355 -9.686 1.00 0.00 H new ATOM 0 HB ILE A 7 23.945 -0.039 -12.128 1.00 0.00 H new ATOM 0 HG12 ILE A 7 21.298 -1.435 -12.537 1.00 0.00 H new ATOM 0 HG13 ILE A 7 21.276 0.268 -12.123 1.00 0.00 H new ATOM 0 HG21 ILE A 7 23.825 -2.397 -12.897 1.00 0.00 H new ATOM 0 HG22 ILE A 7 24.551 -2.287 -11.276 1.00 0.00 H new ATOM 0 HG23 ILE A 7 22.861 -2.815 -11.461 1.00 0.00 H new ATOM 0 HD11 ILE A 7 21.344 -0.034 -14.586 1.00 0.00 H new ATOM 0 HD12 ILE A 7 22.829 0.762 -14.014 1.00 0.00 H new ATOM 0 HD13 ILE A 7 22.852 -0.967 -14.435 1.00 0.00 H new ATOM 102 N ARG A 8 21.020 1.126 -9.864 1.00 0.00 N ATOM 103 CA ARG A 8 20.373 2.464 -9.733 1.00 0.00 C ATOM 104 C ARG A 8 20.952 3.213 -8.530 1.00 0.00 C ATOM 105 O ARG A 8 21.118 4.416 -8.554 1.00 0.00 O ATOM 106 CB ARG A 8 18.887 2.172 -9.520 1.00 0.00 C ATOM 107 CG ARG A 8 18.294 1.582 -10.801 1.00 0.00 C ATOM 108 CD ARG A 8 16.799 1.324 -10.600 1.00 0.00 C ATOM 109 NE ARG A 8 16.337 0.741 -11.890 1.00 0.00 N ATOM 110 CZ ARG A 8 16.076 1.520 -12.905 1.00 0.00 C ATOM 111 NH1 ARG A 8 14.848 1.891 -13.144 1.00 0.00 N ATOM 112 NH2 ARG A 8 17.045 1.930 -13.677 1.00 0.00 N ATOM 0 H ARG A 8 20.403 0.328 -9.712 1.00 0.00 H new ATOM 0 HA ARG A 8 20.540 3.090 -10.609 1.00 0.00 H new ATOM 0 HB2 ARG A 8 18.758 1.475 -8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.360 3.088 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.447 2.268 -11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 8 18.803 0.653 -11.056 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.624 0.639 -9.771 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.266 2.246 -10.369 1.00 0.00 H new ATOM 0 HE ARG A 8 16.224 -0.269 -11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.092 1.573 -12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.644 2.500 -13.937 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.005 1.642 -13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.842 2.538 -14.470 1.00 0.00 H new ATOM 126 N ASN A 9 21.263 2.508 -7.478 1.00 0.00 N ATOM 127 CA ASN A 9 21.833 3.175 -6.271 1.00 0.00 C ATOM 128 C ASN A 9 23.362 3.079 -6.286 1.00 0.00 C ATOM 129 O ASN A 9 24.026 3.464 -5.345 1.00 0.00 O ATOM 130 CB ASN A 9 21.259 2.403 -5.082 1.00 0.00 C ATOM 131 CG ASN A 9 19.734 2.528 -5.082 1.00 0.00 C ATOM 132 OD1 ASN A 9 19.035 1.574 -4.806 1.00 0.00 O ATOM 133 ND2 ASN A 9 19.186 3.674 -5.381 1.00 0.00 N ATOM 0 H ASN A 9 21.147 1.498 -7.401 1.00 0.00 H new ATOM 0 HA ASN A 9 21.582 4.235 -6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 9 21.549 1.354 -5.142 1.00 0.00 H new ATOM 0 HB3 ASN A 9 21.667 2.794 -4.150 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.170 3.769 -5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.773 4.475 -5.613 1.00 0.00 H new ATOM 140 N GLY A 10 23.925 2.570 -7.348 1.00 0.00 N ATOM 141 CA GLY A 10 25.409 2.452 -7.423 1.00 0.00 C ATOM 142 C GLY A 10 25.879 1.308 -6.523 1.00 0.00 C ATOM 143 O GLY A 10 27.037 1.224 -6.163 1.00 0.00 O ATOM 0 H GLY A 10 23.421 2.231 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.718 2.269 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.874 3.387 -7.112 1.00 0.00 H new ATOM 147 N GLY A 11 24.991 0.425 -6.155 1.00 0.00 N ATOM 148 CA GLY A 11 25.388 -0.712 -5.279 1.00 0.00 C ATOM 149 C GLY A 11 26.149 -1.751 -6.102 1.00 0.00 C ATOM 150 O GLY A 11 26.285 -1.627 -7.305 1.00 0.00 O ATOM 0 H GLY A 11 24.007 0.443 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 11 26.012 -0.353 -4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 11 24.504 -1.165 -4.831 1.00 0.00 H new ATOM 154 N ILE A 12 26.647 -2.774 -5.467 1.00 0.00 N ATOM 155 CA ILE A 12 27.399 -3.820 -6.216 1.00 0.00 C ATOM 156 C ILE A 12 26.727 -5.182 -6.044 1.00 0.00 C ATOM 157 O ILE A 12 25.830 -5.344 -5.241 1.00 0.00 O ATOM 158 CB ILE A 12 28.794 -3.828 -5.594 1.00 0.00 C ATOM 159 CG1 ILE A 12 29.375 -2.413 -5.620 1.00 0.00 C ATOM 160 CG2 ILE A 12 29.702 -4.766 -6.392 1.00 0.00 C ATOM 161 CD1 ILE A 12 30.620 -2.359 -4.733 1.00 0.00 C ATOM 0 H ILE A 12 26.566 -2.932 -4.463 1.00 0.00 H new ATOM 0 HA ILE A 12 27.431 -3.616 -7.286 1.00 0.00 H new ATOM 0 HB ILE A 12 28.729 -4.174 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 12 29.630 -2.131 -6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.633 -1.697 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.698 -4.772 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.290 -5.775 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.766 -4.420 -7.424 1.00 0.00 H new ATOM 0 HD11 ILE A 12 31.036 -1.351 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 12 30.350 -2.623 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 12 31.363 -3.064 -5.105 1.00 0.00 H new ATOM 173 N CYS A 13 27.150 -6.163 -6.792 1.00 0.00 N ATOM 174 CA CYS A 13 26.525 -7.511 -6.664 1.00 0.00 C ATOM 175 C CYS A 13 27.566 -8.534 -6.202 1.00 0.00 C ATOM 176 O CYS A 13 28.750 -8.382 -6.426 1.00 0.00 O ATOM 177 CB CYS A 13 26.003 -7.878 -8.062 1.00 0.00 C ATOM 178 SG CYS A 13 25.371 -6.407 -8.916 1.00 0.00 S ATOM 0 H CYS A 13 27.897 -6.092 -7.483 1.00 0.00 H new ATOM 0 HA CYS A 13 25.720 -7.508 -5.929 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.804 -8.329 -8.648 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.212 -8.623 -7.976 1.00 0.00 H new ATOM 183 N GLN A 14 27.121 -9.574 -5.561 1.00 0.00 N ATOM 184 CA GLN A 14 28.061 -10.627 -5.073 1.00 0.00 C ATOM 185 C GLN A 14 27.288 -11.922 -4.809 1.00 0.00 C ATOM 186 O GLN A 14 26.116 -11.900 -4.494 1.00 0.00 O ATOM 187 CB GLN A 14 28.640 -10.074 -3.771 1.00 0.00 C ATOM 188 CG GLN A 14 29.814 -10.945 -3.321 1.00 0.00 C ATOM 189 CD GLN A 14 30.336 -10.443 -1.973 1.00 0.00 C ATOM 190 OE1 GLN A 14 30.873 -11.204 -1.194 1.00 0.00 O ATOM 191 NE2 GLN A 14 30.200 -9.182 -1.663 1.00 0.00 N ATOM 0 H GLN A 14 26.138 -9.745 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 14 28.844 -10.856 -5.796 1.00 0.00 H new ATOM 0 HB2 GLN A 14 28.972 -9.046 -3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 14 27.871 -10.055 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 14 29.497 -11.985 -3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 14 30.610 -10.914 -4.065 1.00 0.00 H new ATOM 0 HE21 GLN A 14 29.749 -8.542 -2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 14 30.545 -8.837 -0.767 1.00 0.00 H new ATOM 200 N TYR A 15 27.927 -13.049 -4.939 1.00 0.00 N ATOM 201 CA TYR A 15 27.211 -14.337 -4.700 1.00 0.00 C ATOM 202 C TYR A 15 26.578 -14.351 -3.306 1.00 0.00 C ATOM 203 O TYR A 15 25.492 -14.861 -3.113 1.00 0.00 O ATOM 204 CB TYR A 15 28.279 -15.424 -4.811 1.00 0.00 C ATOM 205 CG TYR A 15 27.631 -16.779 -4.655 1.00 0.00 C ATOM 206 CD1 TYR A 15 26.877 -17.319 -5.706 1.00 0.00 C ATOM 207 CD2 TYR A 15 27.777 -17.494 -3.460 1.00 0.00 C ATOM 208 CE1 TYR A 15 26.271 -18.574 -5.561 1.00 0.00 C ATOM 209 CE2 TYR A 15 27.172 -18.748 -3.316 1.00 0.00 C ATOM 210 CZ TYR A 15 26.419 -19.288 -4.365 1.00 0.00 C ATOM 211 OH TYR A 15 25.822 -20.525 -4.224 1.00 0.00 O ATOM 0 H TYR A 15 28.909 -13.137 -5.199 1.00 0.00 H new ATOM 0 HA TYR A 15 26.403 -14.487 -5.416 1.00 0.00 H new ATOM 0 HB2 TYR A 15 28.782 -15.358 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 15 29.040 -15.282 -4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 15 26.763 -16.768 -6.628 1.00 0.00 H new ATOM 0 HD2 TYR A 15 28.357 -17.078 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 15 25.690 -18.991 -6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 15 27.286 -19.299 -2.394 1.00 0.00 H new ATOM 0 HH TYR A 15 26.024 -20.886 -3.336 1.00 0.00 H new ATOM 221 N ARG A 16 27.247 -13.798 -2.335 1.00 0.00 N ATOM 222 CA ARG A 16 26.682 -13.786 -0.954 1.00 0.00 C ATOM 223 C ARG A 16 27.089 -12.503 -0.227 1.00 0.00 C ATOM 224 O ARG A 16 28.008 -11.814 -0.622 1.00 0.00 O ATOM 225 CB ARG A 16 27.299 -15.003 -0.262 1.00 0.00 C ATOM 226 CG ARG A 16 26.568 -15.282 1.055 1.00 0.00 C ATOM 227 CD ARG A 16 25.203 -15.909 0.764 1.00 0.00 C ATOM 228 NE ARG A 16 24.573 -16.088 2.103 1.00 0.00 N ATOM 229 CZ ARG A 16 24.861 -17.134 2.829 1.00 0.00 C ATOM 230 NH1 ARG A 16 25.871 -17.896 2.506 1.00 0.00 N ATOM 231 NH2 ARG A 16 24.142 -17.418 3.880 1.00 0.00 N ATOM 0 H ARG A 16 28.160 -13.354 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 16 25.593 -13.823 -0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 16 27.236 -15.874 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 16 28.357 -14.825 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 16 27.162 -15.952 1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 16 26.442 -14.356 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 16 24.599 -15.264 0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 16 25.308 -16.862 0.246 1.00 0.00 H new ATOM 0 HE ARG A 16 23.915 -15.391 2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 16 26.436 -17.674 1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 16 26.095 -18.713 3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.354 -16.823 4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.368 -18.236 4.447 1.00 0.00 H new ATOM 245 N CYS A 17 26.412 -12.187 0.840 1.00 0.00 N ATOM 246 CA CYS A 17 26.756 -10.958 1.607 1.00 0.00 C ATOM 247 C CYS A 17 26.670 -11.243 3.108 1.00 0.00 C ATOM 248 O CYS A 17 25.664 -11.710 3.605 1.00 0.00 O ATOM 249 CB CYS A 17 25.711 -9.921 1.197 1.00 0.00 C ATOM 250 SG CYS A 17 26.178 -9.193 -0.393 1.00 0.00 S ATOM 0 H CYS A 17 25.633 -12.728 1.215 1.00 0.00 H new ATOM 0 HA CYS A 17 27.768 -10.611 1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.729 -10.388 1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 17 25.636 -9.144 1.957 1.00 0.00 H new ATOM 255 N ILE A 18 27.720 -10.974 3.832 1.00 0.00 N ATOM 256 CA ILE A 18 27.698 -11.237 5.300 1.00 0.00 C ATOM 257 C ILE A 18 28.360 -10.082 6.057 1.00 0.00 C ATOM 258 O ILE A 18 29.046 -9.261 5.482 1.00 0.00 O ATOM 259 CB ILE A 18 28.501 -12.526 5.480 1.00 0.00 C ATOM 260 CG1 ILE A 18 29.947 -12.296 5.032 1.00 0.00 C ATOM 261 CG2 ILE A 18 27.877 -13.639 4.633 1.00 0.00 C ATOM 262 CD1 ILE A 18 30.764 -13.569 5.265 1.00 0.00 C ATOM 0 H ILE A 18 28.591 -10.584 3.473 1.00 0.00 H new ATOM 0 HA ILE A 18 26.684 -11.328 5.688 1.00 0.00 H new ATOM 0 HB ILE A 18 28.488 -12.816 6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 18 29.973 -12.023 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 18 30.383 -11.465 5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 18 28.449 -14.558 4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 18 26.848 -13.805 4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 18 27.889 -13.347 3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 18 31.793 -13.404 4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 18 30.749 -13.822 6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 18 30.333 -14.389 4.690 1.00 0.00 H new ATOM 274 N GLY A 19 28.163 -10.014 7.345 1.00 0.00 N ATOM 275 CA GLY A 19 28.783 -8.915 8.140 1.00 0.00 C ATOM 276 C GLY A 19 27.850 -7.700 8.153 1.00 0.00 C ATOM 277 O GLY A 19 26.653 -7.822 7.984 1.00 0.00 O ATOM 0 H GLY A 19 27.599 -10.672 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 19 28.972 -9.252 9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 19 29.747 -8.641 7.711 1.00 0.00 H new ATOM 281 N LEU A 20 28.392 -6.529 8.353 1.00 0.00 N ATOM 282 CA LEU A 20 27.540 -5.305 8.378 1.00 0.00 C ATOM 283 C LEU A 20 26.849 -5.114 7.025 1.00 0.00 C ATOM 284 O LEU A 20 25.781 -4.541 6.939 1.00 0.00 O ATOM 285 CB LEU A 20 28.508 -4.153 8.653 1.00 0.00 C ATOM 286 CG LEU A 20 28.780 -4.060 10.157 1.00 0.00 C ATOM 287 CD1 LEU A 20 27.468 -3.802 10.900 1.00 0.00 C ATOM 288 CD2 LEU A 20 29.395 -5.373 10.648 1.00 0.00 C ATOM 0 H LEU A 20 29.388 -6.367 8.500 1.00 0.00 H new ATOM 0 HA LEU A 20 26.754 -5.365 9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 20 29.442 -4.312 8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 20 28.086 -3.216 8.291 1.00 0.00 H new ATOM 0 HG LEU A 20 29.472 -3.240 10.349 1.00 0.00 H new ATOM 0 HD11 LEU A 20 27.663 -3.736 11.970 1.00 0.00 H new ATOM 0 HD12 LEU A 20 27.031 -2.866 10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 20 26.774 -4.620 10.707 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.588 -5.306 11.719 1.00 0.00 H new ATOM 0 HD22 LEU A 20 28.704 -6.193 10.455 1.00 0.00 H new ATOM 0 HD23 LEU A 20 30.331 -5.556 10.121 1.00 0.00 H new ATOM 300 N ARG A 21 27.451 -5.587 5.968 1.00 0.00 N ATOM 301 CA ARG A 21 26.831 -5.431 4.621 1.00 0.00 C ATOM 302 C ARG A 21 25.396 -5.960 4.633 1.00 0.00 C ATOM 303 O ARG A 21 25.118 -7.018 5.163 1.00 0.00 O ATOM 304 CB ARG A 21 27.701 -6.269 3.686 1.00 0.00 C ATOM 305 CG ARG A 21 29.083 -5.625 3.553 1.00 0.00 C ATOM 306 CD ARG A 21 29.912 -6.413 2.536 1.00 0.00 C ATOM 307 NE ARG A 21 31.317 -5.968 2.757 1.00 0.00 N ATOM 308 CZ ARG A 21 32.266 -6.395 1.969 1.00 0.00 C ATOM 309 NH1 ARG A 21 32.172 -7.572 1.413 1.00 0.00 N ATOM 310 NH2 ARG A 21 33.308 -5.645 1.735 1.00 0.00 N ATOM 0 H ARG A 21 28.346 -6.075 5.979 1.00 0.00 H new ATOM 0 HA ARG A 21 26.782 -4.388 4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 21 27.797 -7.283 4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.229 -6.346 2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 21 28.984 -4.588 3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 21 29.586 -5.614 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 21 29.809 -7.487 2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 21 29.588 -6.205 1.516 1.00 0.00 H new ATOM 0 HE ARG A 21 31.537 -5.331 3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 21 31.357 -8.158 1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 21 32.913 -7.906 0.797 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.381 -4.724 2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 21 34.049 -5.979 1.119 1.00 0.00 H new ATOM 324 N HIS A 22 24.484 -5.234 4.049 1.00 0.00 N ATOM 325 CA HIS A 22 23.067 -5.695 4.023 1.00 0.00 C ATOM 326 C HIS A 22 22.648 -6.026 2.587 1.00 0.00 C ATOM 327 O HIS A 22 23.215 -5.525 1.636 1.00 0.00 O ATOM 328 CB HIS A 22 22.259 -4.512 4.559 1.00 0.00 C ATOM 329 CG HIS A 22 20.808 -4.893 4.650 1.00 0.00 C ATOM 330 ND1 HIS A 22 20.338 -5.792 5.593 1.00 0.00 N ATOM 331 CD2 HIS A 22 19.711 -4.506 3.922 1.00 0.00 C ATOM 332 CE1 HIS A 22 19.010 -5.915 5.410 1.00 0.00 C ATOM 333 NE2 HIS A 22 18.577 -5.152 4.404 1.00 0.00 N ATOM 0 H HIS A 22 24.658 -4.341 3.588 1.00 0.00 H new ATOM 0 HA HIS A 22 22.912 -6.597 4.615 1.00 0.00 H new ATOM 0 HB2 HIS A 22 22.631 -4.220 5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 22 22.379 -3.650 3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 22 19.726 -3.806 3.100 1.00 0.00 H new ATOM 0 HE1 HIS A 22 18.373 -6.553 6.004 1.00 0.00 H new ATOM 0 HE2 HIS A 22 17.620 -5.062 4.062 1.00 0.00 H new ATOM 341 N LYS A 23 21.661 -6.863 2.421 1.00 0.00 N ATOM 342 CA LYS A 23 21.213 -7.217 1.043 1.00 0.00 C ATOM 343 C LYS A 23 19.937 -6.449 0.689 1.00 0.00 C ATOM 344 O LYS A 23 18.869 -6.732 1.194 1.00 0.00 O ATOM 345 CB LYS A 23 20.939 -8.721 1.081 1.00 0.00 C ATOM 346 CG LYS A 23 20.475 -9.181 -0.302 1.00 0.00 C ATOM 347 CD LYS A 23 19.951 -10.615 -0.218 1.00 0.00 C ATOM 348 CE LYS A 23 19.515 -11.076 -1.611 1.00 0.00 C ATOM 349 NZ LYS A 23 18.908 -12.418 -1.398 1.00 0.00 N ATOM 0 H LYS A 23 21.147 -7.316 3.176 1.00 0.00 H new ATOM 0 HA LYS A 23 21.960 -6.961 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 23 21.840 -9.260 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 23 20.177 -8.946 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 23 19.693 -8.519 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 23 21.301 -9.126 -1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 23 20.726 -11.276 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.111 -10.668 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.797 -10.383 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.364 -11.130 -2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.926 -12.953 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.450 -12.933 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.924 -12.307 -1.080 1.00 0.00 H new ATOM 363 N ILE A 24 20.041 -5.477 -0.175 1.00 0.00 N ATOM 364 CA ILE A 24 18.836 -4.689 -0.562 1.00 0.00 C ATOM 365 C ILE A 24 17.974 -5.488 -1.542 1.00 0.00 C ATOM 366 O ILE A 24 16.762 -5.390 -1.543 1.00 0.00 O ATOM 367 CB ILE A 24 19.386 -3.433 -1.236 1.00 0.00 C ATOM 368 CG1 ILE A 24 20.104 -2.567 -0.198 1.00 0.00 C ATOM 369 CG2 ILE A 24 18.235 -2.638 -1.855 1.00 0.00 C ATOM 370 CD1 ILE A 24 21.038 -1.585 -0.908 1.00 0.00 C ATOM 0 H ILE A 24 20.909 -5.194 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 24 18.206 -4.451 0.295 1.00 0.00 H new ATOM 0 HB ILE A 24 20.089 -3.721 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.376 -2.022 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.673 -3.197 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 24 18.629 -1.742 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.725 -3.253 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 24 17.530 -2.351 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.549 -0.969 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 24 21.775 -2.139 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 24 20.457 -0.946 -1.573 1.00 0.00 H new ATOM 382 N GLY A 25 18.591 -6.274 -2.379 1.00 0.00 N ATOM 383 CA GLY A 25 17.812 -7.077 -3.364 1.00 0.00 C ATOM 384 C GLY A 25 18.736 -8.091 -4.041 1.00 0.00 C ATOM 385 O GLY A 25 19.862 -8.293 -3.632 1.00 0.00 O ATOM 0 H GLY A 25 19.603 -6.396 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.994 -7.593 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.365 -6.421 -4.111 1.00 0.00 H new ATOM 389 N THR A 26 18.264 -8.730 -5.076 1.00 0.00 N ATOM 390 CA THR A 26 19.110 -9.734 -5.785 1.00 0.00 C ATOM 391 C THR A 26 19.600 -9.172 -7.125 1.00 0.00 C ATOM 392 O THR A 26 18.890 -9.185 -8.110 1.00 0.00 O ATOM 393 CB THR A 26 18.186 -10.929 -6.018 1.00 0.00 C ATOM 394 OG1 THR A 26 17.064 -10.510 -6.784 1.00 0.00 O ATOM 395 CG2 THR A 26 17.712 -11.483 -4.674 1.00 0.00 C ATOM 0 H THR A 26 17.329 -8.601 -5.462 1.00 0.00 H new ATOM 0 HA THR A 26 19.997 -10.002 -5.211 1.00 0.00 H new ATOM 0 HB THR A 26 18.726 -11.708 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 26 17.373 -10.081 -7.609 1.00 0.00 H new ATOM 0 HG21 THR A 26 17.053 -12.335 -4.843 1.00 0.00 H new ATOM 0 HG22 THR A 26 18.574 -11.802 -4.087 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.170 -10.708 -4.132 1.00 0.00 H new ATOM 403 N CYS A 27 20.812 -8.689 -7.172 1.00 0.00 N ATOM 404 CA CYS A 27 21.344 -8.136 -8.452 1.00 0.00 C ATOM 405 C CYS A 27 21.210 -9.181 -9.561 1.00 0.00 C ATOM 406 O CYS A 27 20.872 -8.875 -10.688 1.00 0.00 O ATOM 407 CB CYS A 27 22.817 -7.844 -8.170 1.00 0.00 C ATOM 408 SG CYS A 27 23.540 -6.955 -9.572 1.00 0.00 S ATOM 0 H CYS A 27 21.456 -8.653 -6.382 1.00 0.00 H new ATOM 0 HA CYS A 27 20.807 -7.246 -8.779 1.00 0.00 H new ATOM 0 HB2 CYS A 27 22.913 -7.250 -7.261 1.00 0.00 H new ATOM 0 HB3 CYS A 27 23.357 -8.776 -8.000 1.00 0.00 H new ATOM 413 N GLY A 28 21.472 -10.414 -9.241 1.00 0.00 N ATOM 414 CA GLY A 28 21.367 -11.500 -10.251 1.00 0.00 C ATOM 415 C GLY A 28 21.134 -12.819 -9.524 1.00 0.00 C ATOM 416 O GLY A 28 20.815 -12.843 -8.352 1.00 0.00 O ATOM 0 H GLY A 28 21.758 -10.720 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.547 -11.298 -10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.278 -11.552 -10.847 1.00 0.00 H new ATOM 420 N SER A 29 21.297 -13.917 -10.198 1.00 0.00 N ATOM 421 CA SER A 29 21.091 -15.224 -9.523 1.00 0.00 C ATOM 422 C SER A 29 22.389 -15.671 -8.852 1.00 0.00 C ATOM 423 O SER A 29 22.372 -16.130 -7.727 1.00 0.00 O ATOM 424 CB SER A 29 20.667 -16.198 -10.624 1.00 0.00 C ATOM 425 OG SER A 29 19.295 -15.996 -10.928 1.00 0.00 O ATOM 0 H SER A 29 21.562 -13.968 -11.182 1.00 0.00 H new ATOM 0 HA SER A 29 20.334 -15.172 -8.741 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.275 -16.044 -11.515 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.832 -17.225 -10.299 1.00 0.00 H new ATOM 0 HG SER A 29 19.021 -16.618 -11.634 1.00 0.00 H new ATOM 431 N PRO A 30 23.484 -15.507 -9.548 1.00 0.00 N ATOM 432 CA PRO A 30 24.785 -15.885 -8.976 1.00 0.00 C ATOM 433 C PRO A 30 25.298 -14.760 -8.073 1.00 0.00 C ATOM 434 O PRO A 30 26.416 -14.793 -7.597 1.00 0.00 O ATOM 435 CB PRO A 30 25.679 -16.058 -10.197 1.00 0.00 C ATOM 436 CG PRO A 30 25.066 -15.206 -11.267 1.00 0.00 C ATOM 437 CD PRO A 30 23.618 -14.969 -10.907 1.00 0.00 C ATOM 0 HA PRO A 30 24.747 -16.784 -8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 30 26.701 -15.744 -9.983 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.724 -17.103 -10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.598 -14.258 -11.350 1.00 0.00 H new ATOM 0 HG3 PRO A 30 25.141 -15.699 -12.236 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.369 -13.908 -10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.948 -15.475 -11.602 1.00 0.00 H new ATOM 445 N PHE A 31 24.484 -13.764 -7.829 1.00 0.00 N ATOM 446 CA PHE A 31 24.925 -12.637 -6.953 1.00 0.00 C ATOM 447 C PHE A 31 23.722 -11.989 -6.260 1.00 0.00 C ATOM 448 O PHE A 31 22.581 -12.248 -6.587 1.00 0.00 O ATOM 449 CB PHE A 31 25.584 -11.614 -7.885 1.00 0.00 C ATOM 450 CG PHE A 31 26.737 -12.242 -8.630 1.00 0.00 C ATOM 451 CD1 PHE A 31 27.984 -12.383 -8.008 1.00 0.00 C ATOM 452 CD2 PHE A 31 26.563 -12.670 -9.949 1.00 0.00 C ATOM 453 CE1 PHE A 31 29.054 -12.953 -8.706 1.00 0.00 C ATOM 454 CE2 PHE A 31 27.632 -13.243 -10.649 1.00 0.00 C ATOM 455 CZ PHE A 31 28.879 -13.384 -10.028 1.00 0.00 C ATOM 0 H PHE A 31 23.536 -13.683 -8.197 1.00 0.00 H new ATOM 0 HA PHE A 31 25.605 -12.988 -6.177 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.849 -11.234 -8.595 1.00 0.00 H new ATOM 0 HB3 PHE A 31 25.939 -10.762 -7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 31 28.120 -12.052 -6.989 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.602 -12.559 -10.429 1.00 0.00 H new ATOM 0 HE1 PHE A 31 30.015 -13.061 -8.226 1.00 0.00 H new ATOM 0 HE2 PHE A 31 27.495 -13.576 -11.667 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.705 -13.824 -10.567 1.00 0.00 H new ATOM 465 N LYS A 32 23.984 -11.131 -5.316 1.00 0.00 N ATOM 466 CA LYS A 32 22.887 -10.429 -4.595 1.00 0.00 C ATOM 467 C LYS A 32 23.188 -8.927 -4.567 1.00 0.00 C ATOM 468 O LYS A 32 24.319 -8.514 -4.730 1.00 0.00 O ATOM 469 CB LYS A 32 22.908 -10.998 -3.175 1.00 0.00 C ATOM 470 CG LYS A 32 22.587 -12.492 -3.208 1.00 0.00 C ATOM 471 CD LYS A 32 22.725 -13.068 -1.797 1.00 0.00 C ATOM 472 CE LYS A 32 22.258 -14.525 -1.794 1.00 0.00 C ATOM 473 NZ LYS A 32 22.286 -14.933 -0.360 1.00 0.00 N ATOM 0 H LYS A 32 24.924 -10.883 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 32 21.916 -10.569 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 32 23.887 -10.838 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.181 -10.475 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.575 -12.651 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.263 -13.006 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.762 -13.006 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.132 -12.483 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.256 -14.620 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.915 -15.152 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.664 -15.899 -0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.892 -14.279 0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.321 -14.907 0.027 1.00 0.00 H new ATOM 487 N CYS A 33 22.198 -8.106 -4.361 1.00 0.00 N ATOM 488 CA CYS A 33 22.456 -6.636 -4.322 1.00 0.00 C ATOM 489 C CYS A 33 22.885 -6.222 -2.912 1.00 0.00 C ATOM 490 O CYS A 33 22.168 -6.425 -1.952 1.00 0.00 O ATOM 491 CB CYS A 33 21.124 -5.984 -4.693 1.00 0.00 C ATOM 492 SG CYS A 33 21.301 -4.183 -4.653 1.00 0.00 S ATOM 0 H CYS A 33 21.227 -8.384 -4.219 1.00 0.00 H new ATOM 0 HA CYS A 33 23.253 -6.336 -5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 33 20.813 -6.307 -5.686 1.00 0.00 H new ATOM 0 HB3 CYS A 33 20.346 -6.299 -3.997 1.00 0.00 H new ATOM 497 N CYS A 34 24.050 -5.650 -2.778 1.00 0.00 N ATOM 498 CA CYS A 34 24.517 -5.233 -1.424 1.00 0.00 C ATOM 499 C CYS A 34 25.186 -3.858 -1.492 1.00 0.00 C ATOM 500 O CYS A 34 25.889 -3.545 -2.430 1.00 0.00 O ATOM 501 CB CYS A 34 25.531 -6.302 -1.012 1.00 0.00 C ATOM 502 SG CYS A 34 24.688 -7.890 -0.804 1.00 0.00 S ATOM 0 H CYS A 34 24.696 -5.454 -3.542 1.00 0.00 H new ATOM 0 HA CYS A 34 23.696 -5.150 -0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 34 26.311 -6.389 -1.769 1.00 0.00 H new ATOM 0 HB3 CYS A 34 26.021 -6.014 -0.082 1.00 0.00 H new ATOM 507 N LYS A 35 24.974 -3.036 -0.500 1.00 0.00 N ATOM 508 CA LYS A 35 25.604 -1.685 -0.507 1.00 0.00 C ATOM 509 C LYS A 35 26.434 -1.483 0.764 1.00 0.00 C ATOM 510 O LYS A 35 26.382 -2.346 1.625 1.00 0.00 O ATOM 511 CB LYS A 35 24.438 -0.697 -0.548 1.00 0.00 C ATOM 512 CG LYS A 35 24.987 0.729 -0.632 1.00 0.00 C ATOM 513 CD LYS A 35 23.828 1.728 -0.631 1.00 0.00 C ATOM 514 CE LYS A 35 24.380 3.145 -0.787 1.00 0.00 C ATOM 515 NZ LYS A 35 23.173 4.012 -0.904 1.00 0.00 N ATOM 516 OXT LYS A 35 27.107 -0.470 0.853 1.00 0.00 O ATOM 0 H LYS A 35 24.393 -3.241 0.313 1.00 0.00 H new ATOM 0 HA LYS A 35 26.278 -1.551 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.800 -0.905 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 35 23.820 -0.809 0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 35 25.649 0.924 0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 35 25.581 0.848 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.138 1.503 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 35 23.263 1.646 0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 35 24.990 3.429 0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 35 25.014 3.228 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.467 5.003 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.616 3.722 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.593 3.917 -0.046 1.00 0.00 H new TER 530 LYS A 35