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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -3.03! C(o=-3!,f=-5.4!) USER MOD Single : A 1 ASN N :NH3+ -126:sc= -4.17! (180deg=-9.53!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0212 K(o=-0.021,f=-1.9!) USER MOD Single : A 14 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -119:sc=-0.00334 (180deg=-0.235) USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= -0.15 (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 11.953 -4.311 -8.772 1.00 0.00 N ATOM 2 CA ASN A 1 11.116 -5.033 -9.776 1.00 0.00 C ATOM 3 C ASN A 1 11.929 -5.318 -11.042 1.00 0.00 C ATOM 4 O ASN A 1 13.100 -5.003 -11.126 1.00 0.00 O ATOM 5 CB ASN A 1 9.947 -4.094 -10.087 1.00 0.00 C ATOM 6 CG ASN A 1 8.819 -4.890 -10.747 1.00 0.00 C ATOM 7 OD1 ASN A 1 8.717 -6.087 -10.566 1.00 0.00 O ATOM 8 ND2 ASN A 1 7.962 -4.273 -11.515 1.00 0.00 N ATOM 0 H1 ASN A 1 11.934 -4.826 -7.869 1.00 0.00 H new ATOM 0 H2 ASN A 1 12.933 -4.251 -9.116 1.00 0.00 H new ATOM 0 H3 ASN A 1 11.576 -3.352 -8.631 1.00 0.00 H new ATOM 0 HA ASN A 1 10.769 -5.995 -9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 1 9.589 -3.625 -9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 1 10.276 -3.292 -10.748 1.00 0.00 H new ATOM 0 HD21 ASN A 1 7.209 -4.796 -11.962 1.00 0.00 H new ATOM 0 HD22 ASN A 1 8.046 -3.268 -11.668 1.00 0.00 H new ATOM 17 N GLU A 2 11.317 -5.919 -12.024 1.00 0.00 N ATOM 18 CA GLU A 2 12.049 -6.237 -13.284 1.00 0.00 C ATOM 19 C GLU A 2 12.506 -4.962 -14.012 1.00 0.00 C ATOM 20 O GLU A 2 13.613 -4.911 -14.510 1.00 0.00 O ATOM 21 CB GLU A 2 11.046 -7.012 -14.137 1.00 0.00 C ATOM 22 CG GLU A 2 11.732 -7.493 -15.417 1.00 0.00 C ATOM 23 CD GLU A 2 13.009 -8.255 -15.056 1.00 0.00 C ATOM 24 OE1 GLU A 2 12.901 -9.273 -14.392 1.00 0.00 O ATOM 25 OE2 GLU A 2 14.074 -7.809 -15.450 1.00 0.00 O ATOM 0 H GLU A 2 10.338 -6.205 -12.009 1.00 0.00 H new ATOM 0 HA GLU A 2 12.956 -6.808 -13.085 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.657 -7.863 -13.578 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.195 -6.377 -14.384 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.059 -8.137 -15.983 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.971 -6.643 -16.056 1.00 0.00 H new ATOM 32 N PRO A 3 11.644 -3.975 -14.073 1.00 0.00 N ATOM 33 CA PRO A 3 12.000 -2.715 -14.773 1.00 0.00 C ATOM 34 C PRO A 3 13.002 -1.896 -13.955 1.00 0.00 C ATOM 35 O PRO A 3 13.507 -0.888 -14.407 1.00 0.00 O ATOM 36 CB PRO A 3 10.670 -1.983 -14.902 1.00 0.00 C ATOM 37 CG PRO A 3 9.820 -2.519 -13.795 1.00 0.00 C ATOM 38 CD PRO A 3 10.287 -3.925 -13.508 1.00 0.00 C ATOM 0 HA PRO A 3 12.479 -2.889 -15.736 1.00 0.00 H new ATOM 0 HB2 PRO A 3 10.803 -0.905 -14.810 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.212 -2.166 -15.874 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.910 -1.896 -12.905 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.768 -2.515 -14.082 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.293 -4.132 -12.438 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.634 -4.664 -13.972 1.00 0.00 H new ATOM 46 N VAL A 4 13.298 -2.319 -12.758 1.00 0.00 N ATOM 47 CA VAL A 4 14.273 -1.560 -11.925 1.00 0.00 C ATOM 48 C VAL A 4 15.293 -2.522 -11.310 1.00 0.00 C ATOM 49 O VAL A 4 14.939 -3.478 -10.650 1.00 0.00 O ATOM 50 CB VAL A 4 13.434 -0.897 -10.834 1.00 0.00 C ATOM 51 CG1 VAL A 4 12.419 0.055 -11.470 1.00 0.00 C ATOM 52 CG2 VAL A 4 12.692 -1.972 -10.042 1.00 0.00 C ATOM 0 H VAL A 4 12.909 -3.154 -12.321 1.00 0.00 H new ATOM 0 HA VAL A 4 14.833 -0.827 -12.505 1.00 0.00 H new ATOM 0 HB VAL A 4 14.088 -0.335 -10.167 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.823 0.526 -10.689 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.946 0.823 -12.037 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.765 -0.505 -12.138 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.093 -1.501 -9.263 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.040 -2.533 -10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.413 -2.650 -9.585 1.00 0.00 H new ATOM 62 N SER A 5 16.555 -2.278 -11.525 1.00 0.00 N ATOM 63 CA SER A 5 17.597 -3.181 -10.955 1.00 0.00 C ATOM 64 C SER A 5 18.331 -2.489 -9.805 1.00 0.00 C ATOM 65 O SER A 5 18.469 -1.281 -9.782 1.00 0.00 O ATOM 66 CB SER A 5 18.556 -3.456 -12.114 1.00 0.00 C ATOM 67 OG SER A 5 17.859 -4.117 -13.160 1.00 0.00 O ATOM 0 H SER A 5 16.912 -1.493 -12.070 1.00 0.00 H new ATOM 0 HA SER A 5 17.170 -4.098 -10.549 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.979 -2.520 -12.479 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.389 -4.071 -11.773 1.00 0.00 H new ATOM 0 HG SER A 5 18.473 -4.292 -13.903 1.00 0.00 H new ATOM 73 N CYS A 6 18.806 -3.242 -8.850 1.00 0.00 N ATOM 74 CA CYS A 6 19.532 -2.621 -7.705 1.00 0.00 C ATOM 75 C CYS A 6 20.785 -1.897 -8.205 1.00 0.00 C ATOM 76 O CYS A 6 21.291 -0.999 -7.563 1.00 0.00 O ATOM 77 CB CYS A 6 19.920 -3.784 -6.788 1.00 0.00 C ATOM 78 SG CYS A 6 20.386 -3.128 -5.166 1.00 0.00 S ATOM 0 H CYS A 6 18.723 -4.258 -8.813 1.00 0.00 H new ATOM 0 HA CYS A 6 18.919 -1.884 -7.186 1.00 0.00 H new ATOM 0 HB2 CYS A 6 19.086 -4.478 -6.687 1.00 0.00 H new ATOM 0 HB3 CYS A 6 20.750 -4.343 -7.220 1.00 0.00 H new ATOM 83 N ILE A 7 21.292 -2.281 -9.345 1.00 0.00 N ATOM 84 CA ILE A 7 22.515 -1.610 -9.876 1.00 0.00 C ATOM 85 C ILE A 7 22.253 -0.118 -10.094 1.00 0.00 C ATOM 86 O ILE A 7 23.136 0.703 -9.949 1.00 0.00 O ATOM 87 CB ILE A 7 22.808 -2.305 -11.207 1.00 0.00 C ATOM 88 CG1 ILE A 7 24.192 -1.882 -11.707 1.00 0.00 C ATOM 89 CG2 ILE A 7 21.752 -1.900 -12.238 1.00 0.00 C ATOM 90 CD1 ILE A 7 24.471 -2.544 -13.058 1.00 0.00 C ATOM 0 H ILE A 7 20.915 -3.027 -9.930 1.00 0.00 H new ATOM 0 HA ILE A 7 23.355 -1.685 -9.186 1.00 0.00 H new ATOM 0 HB ILE A 7 22.784 -3.386 -11.066 1.00 0.00 H new ATOM 0 HG12 ILE A 7 24.239 -0.797 -11.805 1.00 0.00 H new ATOM 0 HG13 ILE A 7 24.955 -2.170 -10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 7 21.961 -2.395 -13.186 1.00 0.00 H new ATOM 0 HG22 ILE A 7 20.765 -2.196 -11.883 1.00 0.00 H new ATOM 0 HG23 ILE A 7 21.777 -0.820 -12.380 1.00 0.00 H new ATOM 0 HD11 ILE A 7 25.456 -2.243 -13.414 1.00 0.00 H new ATOM 0 HD12 ILE A 7 24.441 -3.628 -12.945 1.00 0.00 H new ATOM 0 HD13 ILE A 7 23.714 -2.234 -13.778 1.00 0.00 H new ATOM 102 N ARG A 8 21.047 0.240 -10.443 1.00 0.00 N ATOM 103 CA ARG A 8 20.737 1.682 -10.672 1.00 0.00 C ATOM 104 C ARG A 8 20.983 2.486 -9.394 1.00 0.00 C ATOM 105 O ARG A 8 21.383 3.632 -9.435 1.00 0.00 O ATOM 106 CB ARG A 8 19.256 1.720 -11.050 1.00 0.00 C ATOM 107 CG ARG A 8 19.060 1.074 -12.423 1.00 0.00 C ATOM 108 CD ARG A 8 17.613 1.274 -12.879 1.00 0.00 C ATOM 109 NE ARG A 8 17.506 0.501 -14.149 1.00 0.00 N ATOM 110 CZ ARG A 8 16.592 0.812 -15.028 1.00 0.00 C ATOM 111 NH1 ARG A 8 15.495 1.408 -14.648 1.00 0.00 N ATOM 112 NH2 ARG A 8 16.778 0.526 -16.288 1.00 0.00 N ATOM 0 H ARG A 8 20.265 -0.400 -10.579 1.00 0.00 H new ATOM 0 HA ARG A 8 21.366 2.117 -11.449 1.00 0.00 H new ATOM 0 HB2 ARG A 8 18.665 1.192 -10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.901 2.750 -11.068 1.00 0.00 H new ATOM 0 HG2 ARG A 8 19.745 1.517 -13.146 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.293 0.010 -12.373 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.908 0.908 -12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.390 2.329 -13.038 1.00 0.00 H new ATOM 0 HE ARG A 8 18.147 -0.271 -14.331 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.351 1.631 -13.663 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.782 1.650 -15.336 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.636 0.061 -16.584 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.065 0.768 -16.976 1.00 0.00 H new ATOM 126 N ASN A 9 20.745 1.893 -8.257 1.00 0.00 N ATOM 127 CA ASN A 9 20.963 2.626 -6.977 1.00 0.00 C ATOM 128 C ASN A 9 22.438 3.014 -6.835 1.00 0.00 C ATOM 129 O ASN A 9 22.778 3.966 -6.161 1.00 0.00 O ATOM 130 CB ASN A 9 20.559 1.642 -5.878 1.00 0.00 C ATOM 131 CG ASN A 9 19.035 1.501 -5.855 1.00 0.00 C ATOM 132 OD1 ASN A 9 18.332 2.261 -6.492 1.00 0.00 O ATOM 133 ND2 ASN A 9 18.491 0.553 -5.143 1.00 0.00 N ATOM 0 H ASN A 9 20.410 0.935 -8.158 1.00 0.00 H new ATOM 0 HA ASN A 9 20.385 3.549 -6.928 1.00 0.00 H new ATOM 0 HB2 ASN A 9 21.022 0.671 -6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 9 20.917 1.994 -4.910 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.476 0.450 -5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.080 -0.085 -4.608 1.00 0.00 H new ATOM 140 N GLY A 10 23.316 2.287 -7.470 1.00 0.00 N ATOM 141 CA GLY A 10 24.766 2.618 -7.373 1.00 0.00 C ATOM 142 C GLY A 10 25.470 1.591 -6.485 1.00 0.00 C ATOM 143 O GLY A 10 26.595 1.784 -6.070 1.00 0.00 O ATOM 0 H GLY A 10 23.093 1.479 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.215 2.623 -8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.894 3.619 -6.960 1.00 0.00 H new ATOM 147 N GLY A 11 24.819 0.501 -6.188 1.00 0.00 N ATOM 148 CA GLY A 11 25.454 -0.533 -5.324 1.00 0.00 C ATOM 149 C GLY A 11 26.211 -1.537 -6.199 1.00 0.00 C ATOM 150 O GLY A 11 26.347 -1.360 -7.392 1.00 0.00 O ATOM 0 H GLY A 11 23.875 0.281 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 11 26.138 -0.062 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 11 24.694 -1.048 -4.736 1.00 0.00 H new ATOM 154 N ILE A 12 26.705 -2.592 -5.610 1.00 0.00 N ATOM 155 CA ILE A 12 27.452 -3.611 -6.404 1.00 0.00 C ATOM 156 C ILE A 12 26.910 -5.011 -6.109 1.00 0.00 C ATOM 157 O ILE A 12 26.407 -5.276 -5.034 1.00 0.00 O ATOM 158 CB ILE A 12 28.902 -3.492 -5.935 1.00 0.00 C ATOM 159 CG1 ILE A 12 28.988 -3.850 -4.450 1.00 0.00 C ATOM 160 CG2 ILE A 12 29.390 -2.057 -6.140 1.00 0.00 C ATOM 161 CD1 ILE A 12 30.447 -3.786 -3.993 1.00 0.00 C ATOM 0 H ILE A 12 26.624 -2.793 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 12 27.354 -3.450 -7.478 1.00 0.00 H new ATOM 0 HB ILE A 12 29.526 -4.174 -6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 12 28.381 -3.160 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.587 -4.849 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.424 -1.973 -5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.329 -1.799 -7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 12 28.766 -1.374 -5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 12 30.508 -4.041 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 12 31.041 -4.493 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 12 30.832 -2.778 -4.146 1.00 0.00 H new ATOM 173 N CYS A 13 27.004 -5.913 -7.049 1.00 0.00 N ATOM 174 CA CYS A 13 26.486 -7.290 -6.799 1.00 0.00 C ATOM 175 C CYS A 13 27.601 -8.174 -6.231 1.00 0.00 C ATOM 176 O CYS A 13 28.768 -7.965 -6.497 1.00 0.00 O ATOM 177 CB CYS A 13 26.015 -7.847 -8.154 1.00 0.00 C ATOM 178 SG CYS A 13 25.408 -6.518 -9.229 1.00 0.00 S ATOM 0 H CYS A 13 27.413 -5.759 -7.971 1.00 0.00 H new ATOM 0 HA CYS A 13 25.668 -7.273 -6.079 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.838 -8.367 -8.643 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.224 -8.580 -7.995 1.00 0.00 H new ATOM 183 N GLN A 14 27.247 -9.163 -5.460 1.00 0.00 N ATOM 184 CA GLN A 14 28.279 -10.071 -4.879 1.00 0.00 C ATOM 185 C GLN A 14 27.720 -11.490 -4.768 1.00 0.00 C ATOM 186 O GLN A 14 26.535 -11.688 -4.608 1.00 0.00 O ATOM 187 CB GLN A 14 28.582 -9.505 -3.493 1.00 0.00 C ATOM 188 CG GLN A 14 29.756 -10.267 -2.874 1.00 0.00 C ATOM 189 CD GLN A 14 29.983 -9.777 -1.443 1.00 0.00 C ATOM 190 OE1 GLN A 14 29.518 -8.718 -1.072 1.00 0.00 O ATOM 191 NE2 GLN A 14 30.682 -10.507 -0.617 1.00 0.00 N ATOM 0 H GLN A 14 26.284 -9.384 -5.205 1.00 0.00 H new ATOM 0 HA GLN A 14 29.176 -10.124 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 14 28.822 -8.444 -3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 14 27.703 -9.590 -2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 14 29.550 -11.337 -2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 14 30.656 -10.115 -3.469 1.00 0.00 H new ATOM 0 HE21 GLN A 14 31.073 -11.396 -0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 14 30.837 -10.188 0.339 1.00 0.00 H new ATOM 200 N TYR A 15 28.561 -12.480 -4.853 1.00 0.00 N ATOM 201 CA TYR A 15 28.067 -13.883 -4.757 1.00 0.00 C ATOM 202 C TYR A 15 27.358 -14.113 -3.422 1.00 0.00 C ATOM 203 O TYR A 15 26.288 -14.689 -3.367 1.00 0.00 O ATOM 204 CB TYR A 15 29.316 -14.756 -4.862 1.00 0.00 C ATOM 205 CG TYR A 15 28.907 -16.206 -4.945 1.00 0.00 C ATOM 206 CD1 TYR A 15 28.254 -16.688 -6.087 1.00 0.00 C ATOM 207 CD2 TYR A 15 29.181 -17.072 -3.878 1.00 0.00 C ATOM 208 CE1 TYR A 15 27.873 -18.033 -6.161 1.00 0.00 C ATOM 209 CE2 TYR A 15 28.800 -18.417 -3.953 1.00 0.00 C ATOM 210 CZ TYR A 15 28.147 -18.898 -5.094 1.00 0.00 C ATOM 211 OH TYR A 15 27.774 -20.224 -5.166 1.00 0.00 O ATOM 0 H TYR A 15 29.568 -12.381 -4.985 1.00 0.00 H new ATOM 0 HA TYR A 15 27.343 -14.115 -5.538 1.00 0.00 H new ATOM 0 HB2 TYR A 15 29.894 -14.479 -5.743 1.00 0.00 H new ATOM 0 HB3 TYR A 15 29.959 -14.597 -3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 15 28.044 -16.022 -6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 15 29.686 -16.702 -2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 15 27.368 -18.404 -7.041 1.00 0.00 H new ATOM 0 HE2 TYR A 15 29.010 -19.084 -3.130 1.00 0.00 H new ATOM 0 HH TYR A 15 28.040 -20.684 -4.342 1.00 0.00 H new ATOM 221 N ARG A 16 27.944 -13.673 -2.348 1.00 0.00 N ATOM 222 CA ARG A 16 27.302 -13.868 -1.016 1.00 0.00 C ATOM 223 C ARG A 16 27.667 -12.716 -0.076 1.00 0.00 C ATOM 224 O ARG A 16 28.784 -12.238 -0.068 1.00 0.00 O ATOM 225 CB ARG A 16 27.865 -15.191 -0.493 1.00 0.00 C ATOM 226 CG ARG A 16 27.328 -16.350 -1.338 1.00 0.00 C ATOM 227 CD ARG A 16 25.806 -16.428 -1.193 1.00 0.00 C ATOM 228 NE ARG A 16 25.398 -17.563 -2.068 1.00 0.00 N ATOM 229 CZ ARG A 16 24.375 -18.305 -1.740 1.00 0.00 C ATOM 230 NH1 ARG A 16 23.480 -17.850 -0.906 1.00 0.00 N ATOM 231 NH2 ARG A 16 24.248 -19.500 -2.247 1.00 0.00 N ATOM 0 H ARG A 16 28.840 -13.186 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 16 26.214 -13.887 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 16 28.954 -15.174 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 16 27.585 -15.329 0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 16 27.597 -16.206 -2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 16 27.783 -17.288 -1.018 1.00 0.00 H new ATOM 0 HD2 ARG A 16 25.516 -16.603 -0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 16 25.331 -15.498 -1.504 1.00 0.00 H new ATOM 0 HE ARG A 16 25.918 -17.760 -2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.580 -16.915 -0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 16 22.681 -18.429 -0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.948 -19.854 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 16 23.449 -20.080 -1.991 1.00 0.00 H new ATOM 245 N CYS A 17 26.730 -12.269 0.714 1.00 0.00 N ATOM 246 CA CYS A 17 27.018 -11.147 1.654 1.00 0.00 C ATOM 247 C CYS A 17 26.867 -11.628 3.099 1.00 0.00 C ATOM 248 O CYS A 17 25.998 -12.421 3.411 1.00 0.00 O ATOM 249 CB CYS A 17 25.973 -10.081 1.327 1.00 0.00 C ATOM 250 SG CYS A 17 26.452 -9.214 -0.188 1.00 0.00 S ATOM 0 H CYS A 17 25.777 -12.632 0.750 1.00 0.00 H new ATOM 0 HA CYS A 17 28.033 -10.763 1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.994 -10.543 1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 17 25.888 -9.374 2.152 1.00 0.00 H new ATOM 255 N ILE A 18 27.705 -11.162 3.984 1.00 0.00 N ATOM 256 CA ILE A 18 27.606 -11.603 5.407 1.00 0.00 C ATOM 257 C ILE A 18 26.691 -10.657 6.190 1.00 0.00 C ATOM 258 O ILE A 18 26.010 -9.826 5.625 1.00 0.00 O ATOM 259 CB ILE A 18 29.035 -11.548 5.962 1.00 0.00 C ATOM 260 CG1 ILE A 18 30.039 -11.958 4.880 1.00 0.00 C ATOM 261 CG2 ILE A 18 29.155 -12.509 7.147 1.00 0.00 C ATOM 262 CD1 ILE A 18 29.589 -13.271 4.236 1.00 0.00 C ATOM 0 H ILE A 18 28.452 -10.497 3.786 1.00 0.00 H new ATOM 0 HA ILE A 18 27.184 -12.604 5.491 1.00 0.00 H new ATOM 0 HB ILE A 18 29.251 -10.529 6.283 1.00 0.00 H new ATOM 0 HG12 ILE A 18 30.114 -11.177 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 18 31.031 -12.076 5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 18 30.170 -12.472 7.544 1.00 0.00 H new ATOM 0 HG22 ILE A 18 28.450 -12.217 7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 18 28.931 -13.523 6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 18 30.304 -13.562 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 18 29.537 -14.050 4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 18 28.605 -13.137 3.786 1.00 0.00 H new ATOM 274 N GLY A 19 26.677 -10.776 7.489 1.00 0.00 N ATOM 275 CA GLY A 19 25.812 -9.883 8.310 1.00 0.00 C ATOM 276 C GLY A 19 26.380 -8.464 8.265 1.00 0.00 C ATOM 277 O GLY A 19 25.657 -7.490 8.344 1.00 0.00 O ATOM 0 H GLY A 19 27.227 -11.453 8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 19 24.791 -9.892 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 19 25.771 -10.240 9.339 1.00 0.00 H new ATOM 281 N LEU A 20 27.673 -8.343 8.137 1.00 0.00 N ATOM 282 CA LEU A 20 28.301 -6.992 8.083 1.00 0.00 C ATOM 283 C LEU A 20 27.823 -6.236 6.839 1.00 0.00 C ATOM 284 O LEU A 20 27.750 -5.023 6.829 1.00 0.00 O ATOM 285 CB LEU A 20 29.804 -7.260 7.997 1.00 0.00 C ATOM 286 CG LEU A 20 30.348 -7.588 9.390 1.00 0.00 C ATOM 287 CD1 LEU A 20 29.842 -8.966 9.825 1.00 0.00 C ATOM 288 CD2 LEU A 20 31.878 -7.598 9.351 1.00 0.00 C ATOM 0 H LEU A 20 28.324 -9.125 8.067 1.00 0.00 H new ATOM 0 HA LEU A 20 28.042 -6.381 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 20 29.997 -8.089 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 20 30.317 -6.388 7.592 1.00 0.00 H new ATOM 0 HG LEU A 20 30.006 -6.834 10.099 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.229 -9.199 10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 20 28.752 -8.961 9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 20 30.184 -9.720 9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 20 32.266 -7.831 10.343 1.00 0.00 H new ATOM 0 HD22 LEU A 20 32.219 -8.352 8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 20 32.240 -6.618 9.041 1.00 0.00 H new ATOM 300 N ARG A 21 27.504 -6.941 5.788 1.00 0.00 N ATOM 301 CA ARG A 21 27.041 -6.259 4.547 1.00 0.00 C ATOM 302 C ARG A 21 25.528 -6.424 4.375 1.00 0.00 C ATOM 303 O ARG A 21 25.000 -7.517 4.429 1.00 0.00 O ATOM 304 CB ARG A 21 27.795 -6.957 3.415 1.00 0.00 C ATOM 305 CG ARG A 21 29.290 -6.652 3.541 1.00 0.00 C ATOM 306 CD ARG A 21 29.993 -6.985 2.224 1.00 0.00 C ATOM 307 NE ARG A 21 31.438 -6.721 2.484 1.00 0.00 N ATOM 308 CZ ARG A 21 31.969 -5.585 2.120 1.00 0.00 C ATOM 309 NH1 ARG A 21 32.209 -4.661 3.009 1.00 0.00 N ATOM 310 NH2 ARG A 21 32.262 -5.375 0.866 1.00 0.00 N ATOM 0 H ARG A 21 27.544 -7.959 5.735 1.00 0.00 H new ATOM 0 HA ARG A 21 27.234 -5.186 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 21 27.626 -8.033 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.422 -6.615 2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 21 29.438 -5.601 3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 21 29.723 -7.235 4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 21 29.826 -8.024 1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 21 29.619 -6.366 1.409 1.00 0.00 H new ATOM 0 HE ARG A 21 32.011 -7.427 2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 21 31.982 -4.826 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 21 32.624 -3.774 2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.076 -6.098 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.677 -4.488 0.581 1.00 0.00 H new ATOM 324 N HIS A 22 24.826 -5.341 4.171 1.00 0.00 N ATOM 325 CA HIS A 22 23.346 -5.424 4.000 1.00 0.00 C ATOM 326 C HIS A 22 22.982 -5.496 2.512 1.00 0.00 C ATOM 327 O HIS A 22 23.606 -4.869 1.681 1.00 0.00 O ATOM 328 CB HIS A 22 22.813 -4.135 4.625 1.00 0.00 C ATOM 329 CG HIS A 22 23.095 -4.148 6.101 1.00 0.00 C ATOM 330 ND1 HIS A 22 23.097 -2.991 6.866 1.00 0.00 N ATOM 331 CD2 HIS A 22 23.389 -5.171 6.968 1.00 0.00 C ATOM 332 CE1 HIS A 22 23.385 -3.343 8.133 1.00 0.00 C ATOM 333 NE2 HIS A 22 23.572 -4.662 8.250 1.00 0.00 N ATOM 0 H HIS A 22 25.215 -4.400 4.115 1.00 0.00 H new ATOM 0 HA HIS A 22 22.922 -6.313 4.466 1.00 0.00 H new ATOM 0 HB2 HIS A 22 23.285 -3.269 4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 22 21.741 -4.047 4.448 1.00 0.00 H new ATOM 0 HD2 HIS A 22 23.467 -6.213 6.696 1.00 0.00 H new ATOM 0 HE1 HIS A 22 23.456 -2.646 8.954 1.00 0.00 H new ATOM 0 HE2 HIS A 22 23.800 -5.183 9.097 1.00 0.00 H new ATOM 341 N LYS A 23 21.977 -6.259 2.172 1.00 0.00 N ATOM 342 CA LYS A 23 21.578 -6.375 0.737 1.00 0.00 C ATOM 343 C LYS A 23 20.241 -5.668 0.490 1.00 0.00 C ATOM 344 O LYS A 23 19.220 -6.043 1.030 1.00 0.00 O ATOM 345 CB LYS A 23 21.441 -7.879 0.489 1.00 0.00 C ATOM 346 CG LYS A 23 21.173 -8.130 -0.996 1.00 0.00 C ATOM 347 CD LYS A 23 20.709 -9.576 -1.196 1.00 0.00 C ATOM 348 CE LYS A 23 19.287 -9.736 -0.653 1.00 0.00 C ATOM 349 NZ LYS A 23 18.927 -11.154 -0.936 1.00 0.00 N ATOM 0 H LYS A 23 21.415 -6.806 2.824 1.00 0.00 H new ATOM 0 HA LYS A 23 22.305 -5.911 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 23 22.351 -8.393 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 23 20.627 -8.285 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 23 20.413 -7.439 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 23 22.077 -7.944 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 23 20.737 -9.835 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 23 21.385 -10.260 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.246 -9.523 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.597 -9.048 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.964 -11.343 -0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.969 -11.325 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.597 -11.785 -0.452 1.00 0.00 H new ATOM 363 N ILE A 24 20.238 -4.652 -0.332 1.00 0.00 N ATOM 364 CA ILE A 24 18.965 -3.929 -0.620 1.00 0.00 C ATOM 365 C ILE A 24 18.076 -4.784 -1.525 1.00 0.00 C ATOM 366 O ILE A 24 16.867 -4.785 -1.409 1.00 0.00 O ATOM 367 CB ILE A 24 19.388 -2.647 -1.340 1.00 0.00 C ATOM 368 CG1 ILE A 24 20.202 -1.769 -0.389 1.00 0.00 C ATOM 369 CG2 ILE A 24 18.143 -1.885 -1.799 1.00 0.00 C ATOM 370 CD1 ILE A 24 20.949 -0.703 -1.195 1.00 0.00 C ATOM 0 H ILE A 24 21.061 -4.292 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 24 18.395 -3.715 0.284 1.00 0.00 H new ATOM 0 HB ILE A 24 19.998 -2.903 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.544 -1.295 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.910 -2.380 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 24 18.444 -0.972 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.564 -2.510 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 24 17.532 -1.630 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.530 -0.076 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 24 21.619 -1.187 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 24 20.231 -0.086 -1.735 1.00 0.00 H new ATOM 382 N GLY A 25 18.675 -5.512 -2.424 1.00 0.00 N ATOM 383 CA GLY A 25 17.884 -6.374 -3.344 1.00 0.00 C ATOM 384 C GLY A 25 18.802 -7.443 -3.937 1.00 0.00 C ATOM 385 O GLY A 25 19.933 -7.602 -3.522 1.00 0.00 O ATOM 0 H GLY A 25 19.685 -5.547 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.060 -6.842 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.444 -5.772 -4.139 1.00 0.00 H new ATOM 389 N THR A 26 18.329 -8.177 -4.903 1.00 0.00 N ATOM 390 CA THR A 26 19.184 -9.233 -5.516 1.00 0.00 C ATOM 391 C THR A 26 19.621 -8.813 -6.922 1.00 0.00 C ATOM 392 O THR A 26 18.858 -8.873 -7.866 1.00 0.00 O ATOM 393 CB THR A 26 18.296 -10.475 -5.575 1.00 0.00 C ATOM 394 OG1 THR A 26 17.977 -10.885 -4.251 1.00 0.00 O ATOM 395 CG2 THR A 26 19.039 -11.602 -6.295 1.00 0.00 C ATOM 0 H THR A 26 17.391 -8.093 -5.295 1.00 0.00 H new ATOM 0 HA THR A 26 20.095 -9.411 -4.944 1.00 0.00 H new ATOM 0 HB THR A 26 17.379 -10.244 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 26 17.406 -11.681 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 26 18.405 -12.488 -6.337 1.00 0.00 H new ATOM 0 HG22 THR A 26 19.287 -11.285 -7.308 1.00 0.00 H new ATOM 0 HG23 THR A 26 19.956 -11.837 -5.754 1.00 0.00 H new ATOM 403 N CYS A 27 20.846 -8.391 -7.067 1.00 0.00 N ATOM 404 CA CYS A 27 21.339 -7.970 -8.410 1.00 0.00 C ATOM 405 C CYS A 27 21.086 -9.078 -9.429 1.00 0.00 C ATOM 406 O CYS A 27 20.572 -8.847 -10.506 1.00 0.00 O ATOM 407 CB CYS A 27 22.838 -7.751 -8.222 1.00 0.00 C ATOM 408 SG CYS A 27 23.556 -7.125 -9.762 1.00 0.00 S ATOM 0 H CYS A 27 21.529 -8.319 -6.313 1.00 0.00 H new ATOM 0 HA CYS A 27 20.837 -7.076 -8.778 1.00 0.00 H new ATOM 0 HB2 CYS A 27 23.014 -7.043 -7.412 1.00 0.00 H new ATOM 0 HB3 CYS A 27 23.320 -8.686 -7.938 1.00 0.00 H new ATOM 413 N GLY A 28 21.446 -10.281 -9.092 1.00 0.00 N ATOM 414 CA GLY A 28 21.232 -11.418 -10.026 1.00 0.00 C ATOM 415 C GLY A 28 21.005 -12.690 -9.213 1.00 0.00 C ATOM 416 O GLY A 28 20.759 -12.641 -8.025 1.00 0.00 O ATOM 0 H GLY A 28 21.882 -10.528 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.373 -11.222 -10.667 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.097 -11.537 -10.679 1.00 0.00 H new ATOM 420 N SER A 29 21.090 -13.831 -9.836 1.00 0.00 N ATOM 421 CA SER A 29 20.881 -15.097 -9.086 1.00 0.00 C ATOM 422 C SER A 29 22.204 -15.599 -8.508 1.00 0.00 C ATOM 423 O SER A 29 22.252 -16.034 -7.374 1.00 0.00 O ATOM 424 CB SER A 29 20.316 -16.085 -10.107 1.00 0.00 C ATOM 425 OG SER A 29 18.920 -15.871 -10.247 1.00 0.00 O ATOM 0 H SER A 29 21.295 -13.941 -10.829 1.00 0.00 H new ATOM 0 HA SER A 29 20.204 -14.966 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.813 -15.956 -11.068 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.508 -17.108 -9.784 1.00 0.00 H new ATOM 0 HG SER A 29 18.556 -16.502 -10.902 1.00 0.00 H new ATOM 431 N PRO A 30 23.245 -15.519 -9.294 1.00 0.00 N ATOM 432 CA PRO A 30 24.562 -15.968 -8.818 1.00 0.00 C ATOM 433 C PRO A 30 25.212 -14.864 -7.979 1.00 0.00 C ATOM 434 O PRO A 30 26.353 -14.970 -7.574 1.00 0.00 O ATOM 435 CB PRO A 30 25.345 -16.218 -10.100 1.00 0.00 C ATOM 436 CG PRO A 30 24.701 -15.349 -11.138 1.00 0.00 C ATOM 437 CD PRO A 30 23.301 -15.019 -10.671 1.00 0.00 C ATOM 0 HA PRO A 30 24.518 -16.853 -8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 30 26.397 -15.964 -9.973 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.303 -17.269 -10.387 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.279 -14.436 -11.282 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.671 -15.863 -12.099 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.112 -13.946 -10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.550 -15.499 -11.298 1.00 0.00 H new ATOM 445 N PHE A 31 24.489 -13.807 -7.707 1.00 0.00 N ATOM 446 CA PHE A 31 25.068 -12.701 -6.885 1.00 0.00 C ATOM 447 C PHE A 31 23.956 -11.959 -6.139 1.00 0.00 C ATOM 448 O PHE A 31 22.783 -12.203 -6.341 1.00 0.00 O ATOM 449 CB PHE A 31 25.753 -11.757 -7.879 1.00 0.00 C ATOM 450 CG PHE A 31 26.861 -12.483 -8.607 1.00 0.00 C ATOM 451 CD1 PHE A 31 28.117 -12.630 -8.007 1.00 0.00 C ATOM 452 CD2 PHE A 31 26.631 -13.005 -9.886 1.00 0.00 C ATOM 453 CE1 PHE A 31 29.144 -13.298 -8.686 1.00 0.00 C ATOM 454 CE2 PHE A 31 27.658 -13.672 -10.566 1.00 0.00 C ATOM 455 CZ PHE A 31 28.914 -13.819 -9.965 1.00 0.00 C ATOM 0 H PHE A 31 23.528 -13.662 -8.017 1.00 0.00 H new ATOM 0 HA PHE A 31 25.767 -13.079 -6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 31 25.023 -11.379 -8.595 1.00 0.00 H new ATOM 0 HB3 PHE A 31 26.159 -10.894 -7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 31 28.294 -12.228 -7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.661 -12.893 -10.348 1.00 0.00 H new ATOM 0 HE1 PHE A 31 30.113 -13.411 -8.223 1.00 0.00 H new ATOM 0 HE2 PHE A 31 27.481 -14.073 -11.553 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.706 -14.335 -10.488 1.00 0.00 H new ATOM 465 N LYS A 32 24.323 -11.049 -5.284 1.00 0.00 N ATOM 466 CA LYS A 32 23.308 -10.270 -4.523 1.00 0.00 C ATOM 467 C LYS A 32 23.715 -8.798 -4.507 1.00 0.00 C ATOM 468 O LYS A 32 24.873 -8.471 -4.654 1.00 0.00 O ATOM 469 CB LYS A 32 23.333 -10.847 -3.110 1.00 0.00 C ATOM 470 CG LYS A 32 22.920 -12.320 -3.149 1.00 0.00 C ATOM 471 CD LYS A 32 22.862 -12.872 -1.724 1.00 0.00 C ATOM 472 CE LYS A 32 22.505 -14.359 -1.766 1.00 0.00 C ATOM 473 NZ LYS A 32 21.037 -14.389 -2.020 1.00 0.00 N ATOM 0 H LYS A 32 25.292 -10.809 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 32 22.312 -10.335 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.332 -10.750 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.656 -10.286 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.947 -12.423 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.632 -12.893 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.823 -12.732 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.121 -12.326 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.054 -14.876 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.754 -14.853 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.557 -14.860 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.681 -13.416 -2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.847 -14.912 -2.899 1.00 0.00 H new ATOM 487 N CYS A 33 22.780 -7.908 -4.331 1.00 0.00 N ATOM 488 CA CYS A 33 23.139 -6.460 -4.317 1.00 0.00 C ATOM 489 C CYS A 33 23.529 -6.012 -2.906 1.00 0.00 C ATOM 490 O CYS A 33 22.722 -6.009 -1.997 1.00 0.00 O ATOM 491 CB CYS A 33 21.882 -5.727 -4.794 1.00 0.00 C ATOM 492 SG CYS A 33 22.197 -3.946 -4.805 1.00 0.00 S ATOM 0 H CYS A 33 21.790 -8.116 -4.197 1.00 0.00 H new ATOM 0 HA CYS A 33 23.997 -6.248 -4.956 1.00 0.00 H new ATOM 0 HB2 CYS A 33 21.607 -6.065 -5.793 1.00 0.00 H new ATOM 0 HB3 CYS A 33 21.043 -5.955 -4.137 1.00 0.00 H new ATOM 497 N CYS A 34 24.764 -5.627 -2.718 1.00 0.00 N ATOM 498 CA CYS A 34 25.214 -5.172 -1.370 1.00 0.00 C ATOM 499 C CYS A 34 25.989 -3.857 -1.494 1.00 0.00 C ATOM 500 O CYS A 34 26.686 -3.625 -2.462 1.00 0.00 O ATOM 501 CB CYS A 34 26.129 -6.285 -0.857 1.00 0.00 C ATOM 502 SG CYS A 34 25.125 -7.699 -0.337 1.00 0.00 S ATOM 0 H CYS A 34 25.482 -5.608 -3.442 1.00 0.00 H new ATOM 0 HA CYS A 34 24.378 -4.991 -0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 34 26.825 -6.588 -1.639 1.00 0.00 H new ATOM 0 HB3 CYS A 34 26.727 -5.923 -0.021 1.00 0.00 H new ATOM 507 N LYS A 35 25.871 -2.991 -0.526 1.00 0.00 N ATOM 508 CA LYS A 35 26.601 -1.692 -0.598 1.00 0.00 C ATOM 509 C LYS A 35 27.199 -1.341 0.767 1.00 0.00 C ATOM 510 O LYS A 35 26.477 -1.421 1.748 1.00 0.00 O ATOM 511 CB LYS A 35 25.537 -0.670 -0.999 1.00 0.00 C ATOM 512 CG LYS A 35 26.192 0.693 -1.228 1.00 0.00 C ATOM 513 CD LYS A 35 25.105 1.744 -1.455 1.00 0.00 C ATOM 514 CE LYS A 35 25.754 3.086 -1.797 1.00 0.00 C ATOM 515 NZ LYS A 35 26.408 2.866 -3.119 1.00 0.00 N ATOM 516 OXT LYS A 35 28.370 -1.000 0.809 1.00 0.00 O ATOM 0 H LYS A 35 25.302 -3.125 0.310 1.00 0.00 H new ATOM 0 HA LYS A 35 27.430 -1.720 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 35 25.028 -0.997 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 35 24.780 -0.594 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 35 26.803 0.965 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 35 26.857 0.649 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 35 24.445 1.431 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 35 24.489 1.844 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 35 25.012 3.882 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 35 26.481 3.378 -1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 26.378 3.746 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 27.398 2.582 -2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 25.905 2.116 -3.635 1.00 0.00 H new TER 530 LYS A 35