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 9 ASN : amide:sc= -5.3! C(o=-5.3!,f=-21!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -148:sc=0.000684 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.054) USER MOD Single : A 1 ASN N :NH3+ -142:sc= 0 (180deg=-0.116) USER MOD Single : A 5 SER OG : rot -160:sc= -3.63! USER MOD Single : A 14 GLN : amide:sc= -1.62! C(o=-1.6!,f=-4.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc=-0.00743 X(o=-0.0074,f=-0.051) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= -0.419 (180deg=-0.432) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 14.217 -7.399 -12.811 1.00 0.00 N ATOM 2 CA ASN A 1 13.963 -6.523 -13.992 1.00 0.00 C ATOM 3 C ASN A 1 15.269 -6.272 -14.754 1.00 0.00 C ATOM 4 O ASN A 1 16.234 -5.775 -14.206 1.00 0.00 O ATOM 5 CB ASN A 1 13.416 -5.221 -13.408 1.00 0.00 C ATOM 6 CG ASN A 1 11.989 -5.449 -12.900 1.00 0.00 C ATOM 7 OD1 ASN A 1 11.752 -5.468 -11.709 1.00 0.00 O ATOM 8 ND2 ASN A 1 11.023 -5.622 -13.760 1.00 0.00 N ATOM 0 H1 ASN A 1 13.422 -8.059 -12.691 1.00 0.00 H new ATOM 0 H2 ASN A 1 15.095 -7.937 -12.960 1.00 0.00 H new ATOM 0 H3 ASN A 1 14.311 -6.812 -11.957 1.00 0.00 H new ATOM 0 HA ASN A 1 13.267 -6.972 -14.701 1.00 0.00 H new ATOM 0 HB2 ASN A 1 14.054 -4.880 -12.592 1.00 0.00 H new ATOM 0 HB3 ASN A 1 13.423 -4.439 -14.167 1.00 0.00 H new ATOM 0 HD21 ASN A 1 10.069 -5.773 -13.432 1.00 0.00 H new ATOM 0 HD22 ASN A 1 11.222 -5.606 -14.760 1.00 0.00 H new ATOM 17 N GLU A 2 15.304 -6.621 -16.010 1.00 0.00 N ATOM 18 CA GLU A 2 16.543 -6.418 -16.818 1.00 0.00 C ATOM 19 C GLU A 2 16.822 -4.928 -17.093 1.00 0.00 C ATOM 20 O GLU A 2 17.968 -4.527 -17.137 1.00 0.00 O ATOM 21 CB GLU A 2 16.280 -7.160 -18.130 1.00 0.00 C ATOM 22 CG GLU A 2 16.303 -8.671 -17.878 1.00 0.00 C ATOM 23 CD GLU A 2 15.981 -9.414 -19.177 1.00 0.00 C ATOM 24 OE1 GLU A 2 16.165 -8.829 -20.232 1.00 0.00 O ATOM 25 OE2 GLU A 2 15.555 -10.553 -19.093 1.00 0.00 O ATOM 0 H GLU A 2 14.524 -7.041 -16.516 1.00 0.00 H new ATOM 0 HA GLU A 2 17.421 -6.788 -16.289 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.314 -6.864 -18.540 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.035 -6.893 -18.869 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.283 -8.973 -17.508 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.577 -8.932 -17.108 1.00 0.00 H new ATOM 32 N PRO A 3 15.783 -4.147 -17.292 1.00 0.00 N ATOM 33 CA PRO A 3 15.982 -2.706 -17.588 1.00 0.00 C ATOM 34 C PRO A 3 16.389 -1.936 -16.328 1.00 0.00 C ATOM 35 O PRO A 3 16.763 -0.780 -16.394 1.00 0.00 O ATOM 36 CB PRO A 3 14.617 -2.249 -18.092 1.00 0.00 C ATOM 37 CG PRO A 3 13.636 -3.206 -17.495 1.00 0.00 C ATOM 38 CD PRO A 3 14.358 -4.510 -17.262 1.00 0.00 C ATOM 0 HA PRO A 3 16.779 -2.530 -18.310 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.406 -1.225 -17.783 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.573 -2.269 -19.181 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.240 -2.814 -16.558 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.787 -3.352 -18.163 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.080 -4.953 -16.306 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.117 -5.241 -18.034 1.00 0.00 H new ATOM 46 N VAL A 4 16.326 -2.559 -15.184 1.00 0.00 N ATOM 47 CA VAL A 4 16.719 -1.852 -13.930 1.00 0.00 C ATOM 48 C VAL A 4 17.486 -2.801 -13.008 1.00 0.00 C ATOM 49 O VAL A 4 17.262 -3.995 -13.001 1.00 0.00 O ATOM 50 CB VAL A 4 15.402 -1.418 -13.284 1.00 0.00 C ATOM 51 CG1 VAL A 4 14.591 -0.591 -14.284 1.00 0.00 C ATOM 52 CG2 VAL A 4 14.600 -2.653 -12.875 1.00 0.00 C ATOM 0 H VAL A 4 16.020 -3.524 -15.062 1.00 0.00 H new ATOM 0 HA VAL A 4 17.372 -1.001 -14.124 1.00 0.00 H new ATOM 0 HB VAL A 4 15.614 -0.815 -12.401 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.653 -0.282 -13.824 1.00 0.00 H new ATOM 0 HG12 VAL A 4 15.161 0.292 -14.574 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.381 -1.193 -15.168 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.662 -2.342 -12.415 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.389 -3.258 -13.757 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.177 -3.241 -12.161 1.00 0.00 H new ATOM 62 N SER A 5 18.395 -2.280 -12.231 1.00 0.00 N ATOM 63 CA SER A 5 19.178 -3.154 -11.313 1.00 0.00 C ATOM 64 C SER A 5 19.675 -2.344 -10.111 1.00 0.00 C ATOM 65 O SER A 5 19.739 -1.132 -10.151 1.00 0.00 O ATOM 66 CB SER A 5 20.353 -3.655 -12.152 1.00 0.00 C ATOM 67 OG SER A 5 21.138 -2.552 -12.577 1.00 0.00 O ATOM 0 H SER A 5 18.629 -1.288 -12.192 1.00 0.00 H new ATOM 0 HA SER A 5 18.585 -3.977 -10.915 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.962 -4.345 -11.568 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.986 -4.208 -13.017 1.00 0.00 H new ATOM 0 HG SER A 5 21.682 -2.815 -13.348 1.00 0.00 H new ATOM 73 N CYS A 6 20.023 -3.005 -9.043 1.00 0.00 N ATOM 74 CA CYS A 6 20.512 -2.272 -7.840 1.00 0.00 C ATOM 75 C CYS A 6 21.781 -1.484 -8.175 1.00 0.00 C ATOM 76 O CYS A 6 22.001 -0.399 -7.674 1.00 0.00 O ATOM 77 CB CYS A 6 20.810 -3.361 -6.811 1.00 0.00 C ATOM 78 SG CYS A 6 19.296 -4.283 -6.453 1.00 0.00 S ATOM 0 H CYS A 6 19.990 -4.020 -8.950 1.00 0.00 H new ATOM 0 HA CYS A 6 19.783 -1.550 -7.472 1.00 0.00 H new ATOM 0 HB2 CYS A 6 21.578 -4.035 -7.191 1.00 0.00 H new ATOM 0 HB3 CYS A 6 21.202 -2.915 -5.897 1.00 0.00 H new ATOM 83 N ILE A 7 22.619 -2.021 -9.018 1.00 0.00 N ATOM 84 CA ILE A 7 23.875 -1.303 -9.384 1.00 0.00 C ATOM 85 C ILE A 7 23.545 0.069 -9.981 1.00 0.00 C ATOM 86 O ILE A 7 24.390 0.940 -10.061 1.00 0.00 O ATOM 87 CB ILE A 7 24.551 -2.192 -10.430 1.00 0.00 C ATOM 88 CG1 ILE A 7 25.985 -1.709 -10.664 1.00 0.00 C ATOM 89 CG2 ILE A 7 23.769 -2.116 -11.742 1.00 0.00 C ATOM 90 CD1 ILE A 7 26.599 -2.484 -11.833 1.00 0.00 C ATOM 0 H ILE A 7 22.489 -2.926 -9.470 1.00 0.00 H new ATOM 0 HA ILE A 7 24.517 -1.129 -8.520 1.00 0.00 H new ATOM 0 HB ILE A 7 24.569 -3.222 -10.074 1.00 0.00 H new ATOM 0 HG12 ILE A 7 25.990 -0.640 -10.879 1.00 0.00 H new ATOM 0 HG13 ILE A 7 26.581 -1.855 -9.763 1.00 0.00 H new ATOM 0 HG21 ILE A 7 24.249 -2.749 -12.489 1.00 0.00 H new ATOM 0 HG22 ILE A 7 22.748 -2.460 -11.577 1.00 0.00 H new ATOM 0 HG23 ILE A 7 23.752 -1.085 -12.096 1.00 0.00 H new ATOM 0 HD11 ILE A 7 27.620 -2.141 -12.001 1.00 0.00 H new ATOM 0 HD12 ILE A 7 26.608 -3.549 -11.599 1.00 0.00 H new ATOM 0 HD13 ILE A 7 26.007 -2.315 -12.733 1.00 0.00 H new ATOM 102 N ARG A 8 22.326 0.269 -10.400 1.00 0.00 N ATOM 103 CA ARG A 8 21.950 1.586 -10.994 1.00 0.00 C ATOM 104 C ARG A 8 22.010 2.683 -9.930 1.00 0.00 C ATOM 105 O ARG A 8 22.342 3.817 -10.211 1.00 0.00 O ATOM 106 CB ARG A 8 20.519 1.403 -11.500 1.00 0.00 C ATOM 107 CG ARG A 8 20.042 2.698 -12.164 1.00 0.00 C ATOM 108 CD ARG A 8 20.746 2.871 -13.512 1.00 0.00 C ATOM 109 NE ARG A 8 21.978 3.647 -13.201 1.00 0.00 N ATOM 110 CZ ARG A 8 22.969 3.665 -14.051 1.00 0.00 C ATOM 111 NH1 ARG A 8 23.182 4.725 -14.781 1.00 0.00 N ATOM 112 NH2 ARG A 8 23.746 2.622 -14.170 1.00 0.00 N ATOM 0 H ARG A 8 21.575 -0.420 -10.358 1.00 0.00 H new ATOM 0 HA ARG A 8 22.627 1.885 -11.794 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.477 0.579 -12.213 1.00 0.00 H new ATOM 0 HB3 ARG A 8 19.860 1.142 -10.672 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.962 2.669 -12.307 1.00 0.00 H new ATOM 0 HG3 ARG A 8 20.255 3.550 -11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 8 20.988 1.907 -13.958 1.00 0.00 H new ATOM 0 HD3 ARG A 8 20.113 3.402 -14.223 1.00 0.00 H new ATOM 0 HE ARG A 8 22.048 4.164 -12.325 1.00 0.00 H new ATOM 0 HH11 ARG A 8 22.575 5.539 -14.688 1.00 0.00 H new ATOM 0 HH12 ARG A 8 23.956 4.740 -15.445 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.579 1.794 -13.599 1.00 0.00 H new ATOM 0 HH22 ARG A 8 24.520 2.636 -14.834 1.00 0.00 H new ATOM 126 N ASN A 9 21.690 2.357 -8.709 1.00 0.00 N ATOM 127 CA ASN A 9 21.730 3.389 -7.633 1.00 0.00 C ATOM 128 C ASN A 9 23.147 3.507 -7.067 1.00 0.00 C ATOM 129 O ASN A 9 23.388 4.227 -6.118 1.00 0.00 O ATOM 130 CB ASN A 9 20.757 2.889 -6.565 1.00 0.00 C ATOM 131 CG ASN A 9 21.254 1.558 -5.996 1.00 0.00 C ATOM 132 OD1 ASN A 9 22.427 1.251 -6.070 1.00 0.00 O ATOM 133 ND2 ASN A 9 20.403 0.749 -5.427 1.00 0.00 N ATOM 0 H ASN A 9 21.404 1.425 -8.409 1.00 0.00 H new ATOM 0 HA ASN A 9 21.454 4.379 -7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 9 20.668 3.626 -5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 9 19.763 2.763 -6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 9 20.723 -0.141 -5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.418 1.006 -5.365 1.00 0.00 H new ATOM 140 N GLY A 10 24.087 2.807 -7.641 1.00 0.00 N ATOM 141 CA GLY A 10 25.488 2.881 -7.137 1.00 0.00 C ATOM 142 C GLY A 10 25.796 1.644 -6.289 1.00 0.00 C ATOM 143 O GLY A 10 26.910 1.445 -5.846 1.00 0.00 O ATOM 0 H GLY A 10 23.945 2.186 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 10 26.183 2.943 -7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.624 3.785 -6.543 1.00 0.00 H new ATOM 147 N GLY A 11 24.817 0.811 -6.057 1.00 0.00 N ATOM 148 CA GLY A 11 25.057 -0.409 -5.236 1.00 0.00 C ATOM 149 C GLY A 11 25.879 -1.416 -6.043 1.00 0.00 C ATOM 150 O GLY A 11 26.175 -1.205 -7.203 1.00 0.00 O ATOM 0 H GLY A 11 23.863 0.923 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 11 25.584 -0.145 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 11 24.107 -0.854 -4.940 1.00 0.00 H new ATOM 154 N ILE A 12 26.250 -2.510 -5.437 1.00 0.00 N ATOM 155 CA ILE A 12 27.052 -3.531 -6.168 1.00 0.00 C ATOM 156 C ILE A 12 26.438 -4.918 -5.980 1.00 0.00 C ATOM 157 O ILE A 12 25.497 -5.094 -5.232 1.00 0.00 O ATOM 158 CB ILE A 12 28.442 -3.471 -5.536 1.00 0.00 C ATOM 159 CG1 ILE A 12 28.982 -2.043 -5.621 1.00 0.00 C ATOM 160 CG2 ILE A 12 29.385 -4.415 -6.285 1.00 0.00 C ATOM 161 CD1 ILE A 12 30.286 -1.943 -4.827 1.00 0.00 C ATOM 0 H ILE A 12 26.033 -2.741 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 12 27.084 -3.340 -7.241 1.00 0.00 H new ATOM 0 HB ILE A 12 28.377 -3.774 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 12 29.156 -1.770 -6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.248 -1.341 -5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.376 -4.372 -5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.003 -5.434 -6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.448 -4.112 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 12 30.672 -0.925 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 12 30.098 -2.199 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 12 31.019 -2.634 -5.243 1.00 0.00 H new ATOM 173 N CYS A 13 26.962 -5.906 -6.651 1.00 0.00 N ATOM 174 CA CYS A 13 26.401 -7.278 -6.502 1.00 0.00 C ATOM 175 C CYS A 13 27.514 -8.268 -6.149 1.00 0.00 C ATOM 176 O CYS A 13 28.658 -8.099 -6.520 1.00 0.00 O ATOM 177 CB CYS A 13 25.780 -7.649 -7.857 1.00 0.00 C ATOM 178 SG CYS A 13 25.066 -6.188 -8.663 1.00 0.00 S ATOM 0 H CYS A 13 27.750 -5.824 -7.293 1.00 0.00 H new ATOM 0 HA CYS A 13 25.659 -7.313 -5.704 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.540 -8.090 -8.502 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.007 -8.404 -7.713 1.00 0.00 H new ATOM 183 N GLN A 14 27.170 -9.301 -5.439 1.00 0.00 N ATOM 184 CA GLN A 14 28.174 -10.330 -5.046 1.00 0.00 C ATOM 185 C GLN A 14 27.463 -11.657 -4.771 1.00 0.00 C ATOM 186 O GLN A 14 26.310 -11.684 -4.386 1.00 0.00 O ATOM 187 CB GLN A 14 28.816 -9.798 -3.767 1.00 0.00 C ATOM 188 CG GLN A 14 29.962 -10.723 -3.353 1.00 0.00 C ATOM 189 CD GLN A 14 31.119 -10.579 -4.344 1.00 0.00 C ATOM 190 OE1 GLN A 14 30.980 -10.899 -5.508 1.00 0.00 O ATOM 191 NE2 GLN A 14 32.262 -10.109 -3.930 1.00 0.00 N ATOM 0 H GLN A 14 26.222 -9.481 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 14 28.916 -10.507 -5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 14 29.190 -8.787 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 14 28.074 -9.741 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 14 30.298 -10.474 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 14 29.618 -11.757 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 14 32.379 -9.840 -2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 14 33.039 -10.010 -4.583 1.00 0.00 H new ATOM 200 N TYR A 15 28.133 -12.756 -4.966 1.00 0.00 N ATOM 201 CA TYR A 15 27.483 -14.077 -4.718 1.00 0.00 C ATOM 202 C TYR A 15 26.970 -14.157 -3.279 1.00 0.00 C ATOM 203 O TYR A 15 25.981 -14.802 -2.997 1.00 0.00 O ATOM 204 CB TYR A 15 28.580 -15.114 -4.954 1.00 0.00 C ATOM 205 CG TYR A 15 27.999 -16.501 -4.794 1.00 0.00 C ATOM 206 CD1 TYR A 15 27.085 -16.990 -5.734 1.00 0.00 C ATOM 207 CD2 TYR A 15 28.375 -17.297 -3.704 1.00 0.00 C ATOM 208 CE1 TYR A 15 26.545 -18.274 -5.584 1.00 0.00 C ATOM 209 CE2 TYR A 15 27.835 -18.580 -3.555 1.00 0.00 C ATOM 210 CZ TYR A 15 26.921 -19.068 -4.494 1.00 0.00 C ATOM 211 OH TYR A 15 26.390 -20.333 -4.345 1.00 0.00 O ATOM 0 H TYR A 15 29.101 -12.800 -5.286 1.00 0.00 H new ATOM 0 HA TYR A 15 26.624 -14.239 -5.369 1.00 0.00 H new ATOM 0 HB2 TYR A 15 28.999 -14.996 -5.953 1.00 0.00 H new ATOM 0 HB3 TYR A 15 29.396 -14.965 -4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 15 26.796 -16.378 -6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 15 29.081 -16.921 -2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 15 25.839 -18.651 -6.309 1.00 0.00 H new ATOM 0 HE2 TYR A 15 28.124 -19.193 -2.714 1.00 0.00 H new ATOM 0 HH TYR A 15 26.757 -20.749 -3.537 1.00 0.00 H new ATOM 221 N ARG A 16 27.638 -13.506 -2.368 1.00 0.00 N ATOM 222 CA ARG A 16 27.191 -13.546 -0.946 1.00 0.00 C ATOM 223 C ARG A 16 27.608 -12.263 -0.224 1.00 0.00 C ATOM 224 O ARG A 16 28.599 -11.646 -0.559 1.00 0.00 O ATOM 225 CB ARG A 16 27.904 -14.754 -0.340 1.00 0.00 C ATOM 226 CG ARG A 16 27.275 -16.044 -0.874 1.00 0.00 C ATOM 227 CD ARG A 16 25.812 -16.120 -0.430 1.00 0.00 C ATOM 228 NE ARG A 16 25.329 -17.435 -0.936 1.00 0.00 N ATOM 229 CZ ARG A 16 24.082 -17.780 -0.770 1.00 0.00 C ATOM 230 NH1 ARG A 16 23.227 -17.614 -1.741 1.00 0.00 N ATOM 231 NH2 ARG A 16 23.691 -18.288 0.366 1.00 0.00 N ATOM 0 H ARG A 16 28.473 -12.948 -2.545 1.00 0.00 H new ATOM 0 HA ARG A 16 26.107 -13.624 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 16 28.965 -14.725 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 16 27.830 -14.725 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 16 27.338 -16.069 -1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 16 27.824 -16.910 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 16 25.724 -16.057 0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 16 25.229 -15.298 -0.846 1.00 0.00 H new ATOM 0 HE ARG A 16 25.973 -18.066 -1.412 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.534 -17.215 -2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 16 22.251 -17.883 -1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.360 -18.416 1.125 1.00 0.00 H new ATOM 0 HH22 ARG A 16 22.716 -18.558 0.495 1.00 0.00 H new ATOM 245 N CYS A 17 26.861 -11.859 0.766 1.00 0.00 N ATOM 246 CA CYS A 17 27.217 -10.616 1.508 1.00 0.00 C ATOM 247 C CYS A 17 27.420 -10.924 2.994 1.00 0.00 C ATOM 248 O CYS A 17 26.562 -11.488 3.643 1.00 0.00 O ATOM 249 CB CYS A 17 26.021 -9.686 1.315 1.00 0.00 C ATOM 250 SG CYS A 17 25.940 -9.151 -0.413 1.00 0.00 S ATOM 0 H CYS A 17 26.020 -12.335 1.093 1.00 0.00 H new ATOM 0 HA CYS A 17 28.144 -10.172 1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.100 -10.200 1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 17 26.112 -8.820 1.971 1.00 0.00 H new ATOM 255 N ILE A 18 28.549 -10.557 3.538 1.00 0.00 N ATOM 256 CA ILE A 18 28.802 -10.829 4.984 1.00 0.00 C ATOM 257 C ILE A 18 27.778 -10.086 5.847 1.00 0.00 C ATOM 258 O ILE A 18 27.080 -9.207 5.379 1.00 0.00 O ATOM 259 CB ILE A 18 30.209 -10.296 5.253 1.00 0.00 C ATOM 260 CG1 ILE A 18 30.243 -8.790 4.982 1.00 0.00 C ATOM 261 CG2 ILE A 18 31.208 -11.003 4.336 1.00 0.00 C ATOM 262 CD1 ILE A 18 31.632 -8.243 5.312 1.00 0.00 C ATOM 0 H ILE A 18 29.306 -10.082 3.046 1.00 0.00 H new ATOM 0 HA ILE A 18 28.716 -11.889 5.223 1.00 0.00 H new ATOM 0 HB ILE A 18 30.476 -10.485 6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 18 30.001 -8.592 3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 18 29.489 -8.284 5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 18 32.211 -10.622 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 18 31.184 -12.075 4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 18 30.942 -10.816 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 18 31.656 -7.171 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 18 31.856 -8.428 6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 18 32.376 -8.740 4.690 1.00 0.00 H new ATOM 274 N GLY A 19 27.686 -10.425 7.103 1.00 0.00 N ATOM 275 CA GLY A 19 26.710 -9.730 7.990 1.00 0.00 C ATOM 276 C GLY A 19 26.923 -8.218 7.890 1.00 0.00 C ATOM 277 O GLY A 19 25.982 -7.451 7.820 1.00 0.00 O ATOM 0 H GLY A 19 28.243 -11.151 7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 19 25.691 -9.985 7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 19 26.839 -10.060 9.021 1.00 0.00 H new ATOM 281 N LEU A 20 28.155 -7.784 7.881 1.00 0.00 N ATOM 282 CA LEU A 20 28.434 -6.321 7.783 1.00 0.00 C ATOM 283 C LEU A 20 27.682 -5.715 6.595 1.00 0.00 C ATOM 284 O LEU A 20 27.334 -4.551 6.595 1.00 0.00 O ATOM 285 CB LEU A 20 29.945 -6.223 7.564 1.00 0.00 C ATOM 286 CG LEU A 20 30.675 -6.664 8.834 1.00 0.00 C ATOM 287 CD1 LEU A 20 32.172 -6.384 8.686 1.00 0.00 C ATOM 288 CD2 LEU A 20 30.127 -5.887 10.035 1.00 0.00 C ATOM 0 H LEU A 20 28.981 -8.380 7.937 1.00 0.00 H new ATOM 0 HA LEU A 20 28.112 -5.779 8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.243 -6.851 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 20 30.221 -5.199 7.310 1.00 0.00 H new ATOM 0 HG LEU A 20 30.519 -7.731 8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 20 32.692 -6.698 9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.563 -6.937 7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.329 -5.317 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.647 -6.201 10.940 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.282 -4.819 9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.061 -6.087 10.142 1.00 0.00 H new ATOM 300 N ARG A 21 27.433 -6.496 5.579 1.00 0.00 N ATOM 301 CA ARG A 21 26.709 -5.965 4.388 1.00 0.00 C ATOM 302 C ARG A 21 25.381 -6.703 4.195 1.00 0.00 C ATOM 303 O ARG A 21 25.348 -7.901 3.988 1.00 0.00 O ATOM 304 CB ARG A 21 27.646 -6.229 3.210 1.00 0.00 C ATOM 305 CG ARG A 21 28.908 -5.380 3.365 1.00 0.00 C ATOM 306 CD ARG A 21 29.743 -5.468 2.086 1.00 0.00 C ATOM 307 NE ARG A 21 30.986 -4.705 2.392 1.00 0.00 N ATOM 308 CZ ARG A 21 31.257 -3.609 1.736 1.00 0.00 C ATOM 309 NH1 ARG A 21 30.843 -2.457 2.190 1.00 0.00 N ATOM 310 NH2 ARG A 21 31.947 -3.663 0.630 1.00 0.00 N ATOM 0 H ARG A 21 27.700 -7.479 5.522 1.00 0.00 H new ATOM 0 HA ARG A 21 26.467 -4.907 4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 21 27.908 -7.286 3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.146 -5.989 2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 21 28.639 -4.343 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 21 29.491 -5.729 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 21 29.967 -6.504 1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 21 29.213 -5.037 1.237 1.00 0.00 H new ATOM 0 HE ARG A 21 31.625 -5.039 3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 21 30.308 -2.413 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 21 31.055 -1.601 1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.275 -4.562 0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.158 -2.806 0.118 1.00 0.00 H new ATOM 324 N HIS A 22 24.286 -5.995 4.255 1.00 0.00 N ATOM 325 CA HIS A 22 22.960 -6.650 4.070 1.00 0.00 C ATOM 326 C HIS A 22 22.485 -6.462 2.626 1.00 0.00 C ATOM 327 O HIS A 22 22.728 -5.444 2.013 1.00 0.00 O ATOM 328 CB HIS A 22 22.026 -5.930 5.043 1.00 0.00 C ATOM 329 CG HIS A 22 22.558 -6.067 6.443 1.00 0.00 C ATOM 330 ND1 HIS A 22 22.402 -7.229 7.184 1.00 0.00 N ATOM 331 CD2 HIS A 22 23.250 -5.198 7.250 1.00 0.00 C ATOM 332 CE1 HIS A 22 22.987 -7.028 8.380 1.00 0.00 C ATOM 333 NE2 HIS A 22 23.521 -5.807 8.473 1.00 0.00 N ATOM 0 H HIS A 22 24.253 -4.990 4.424 1.00 0.00 H new ATOM 0 HA HIS A 22 22.993 -7.723 4.259 1.00 0.00 H new ATOM 0 HB2 HIS A 22 21.946 -4.877 4.775 1.00 0.00 H new ATOM 0 HB3 HIS A 22 21.023 -6.352 4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 22 23.540 -4.194 6.978 1.00 0.00 H new ATOM 0 HE1 HIS A 22 23.020 -7.765 9.169 1.00 0.00 H new ATOM 0 HE2 HIS A 22 24.020 -5.407 9.268 1.00 0.00 H new ATOM 341 N LYS A 23 21.814 -7.437 2.076 1.00 0.00 N ATOM 342 CA LYS A 23 21.336 -7.303 0.670 1.00 0.00 C ATOM 343 C LYS A 23 19.857 -6.908 0.638 1.00 0.00 C ATOM 344 O LYS A 23 18.983 -7.703 0.921 1.00 0.00 O ATOM 345 CB LYS A 23 21.540 -8.687 0.048 1.00 0.00 C ATOM 346 CG LYS A 23 20.781 -9.734 0.864 1.00 0.00 C ATOM 347 CD LYS A 23 19.826 -10.498 -0.054 1.00 0.00 C ATOM 348 CE LYS A 23 18.802 -11.260 0.793 1.00 0.00 C ATOM 349 NZ LYS A 23 18.075 -12.127 -0.177 1.00 0.00 N ATOM 0 H LYS A 23 21.577 -8.316 2.536 1.00 0.00 H new ATOM 0 HA LYS A 23 21.876 -6.527 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 23 21.187 -8.689 -0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 23 22.602 -8.932 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 23 21.482 -10.424 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 23 20.223 -9.252 1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 23 19.316 -9.805 -0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 23 20.385 -11.193 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.291 -11.854 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.121 -10.576 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.354 -12.683 0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.615 -11.533 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.748 -12.771 -0.639 1.00 0.00 H new ATOM 363 N ILE A 24 19.571 -5.681 0.291 1.00 0.00 N ATOM 364 CA ILE A 24 18.150 -5.230 0.233 1.00 0.00 C ATOM 365 C ILE A 24 17.393 -6.007 -0.846 1.00 0.00 C ATOM 366 O ILE A 24 16.226 -6.313 -0.706 1.00 0.00 O ATOM 367 CB ILE A 24 18.224 -3.749 -0.139 1.00 0.00 C ATOM 368 CG1 ILE A 24 19.056 -2.995 0.902 1.00 0.00 C ATOM 369 CG2 ILE A 24 16.811 -3.164 -0.188 1.00 0.00 C ATOM 370 CD1 ILE A 24 18.434 -3.176 2.288 1.00 0.00 C ATOM 0 H ILE A 24 20.261 -4.971 0.045 1.00 0.00 H new ATOM 0 HA ILE A 24 17.626 -5.394 1.175 1.00 0.00 H new ATOM 0 HB ILE A 24 18.694 -3.646 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.081 -3.367 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 24 19.101 -1.936 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 24 16.863 -2.108 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.222 -3.697 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.339 -3.270 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.028 -2.638 3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 24 17.417 -2.783 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.413 -4.236 2.542 1.00 0.00 H new ATOM 382 N GLY A 25 18.052 -6.318 -1.925 1.00 0.00 N ATOM 383 CA GLY A 25 17.379 -7.068 -3.025 1.00 0.00 C ATOM 384 C GLY A 25 18.349 -8.080 -3.626 1.00 0.00 C ATOM 385 O GLY A 25 19.360 -8.415 -3.041 1.00 0.00 O ATOM 0 H GLY A 25 19.030 -6.086 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.496 -7.579 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.038 -6.376 -3.795 1.00 0.00 H new ATOM 389 N THR A 26 18.049 -8.564 -4.794 1.00 0.00 N ATOM 390 CA THR A 26 18.954 -9.552 -5.445 1.00 0.00 C ATOM 391 C THR A 26 19.408 -9.035 -6.814 1.00 0.00 C ATOM 392 O THR A 26 18.639 -8.982 -7.753 1.00 0.00 O ATOM 393 CB THR A 26 18.113 -10.820 -5.604 1.00 0.00 C ATOM 394 OG1 THR A 26 17.670 -11.256 -4.327 1.00 0.00 O ATOM 395 CG2 THR A 26 18.956 -11.915 -6.257 1.00 0.00 C ATOM 0 H THR A 26 17.216 -8.320 -5.329 1.00 0.00 H new ATOM 0 HA THR A 26 19.855 -9.732 -4.859 1.00 0.00 H new ATOM 0 HB THR A 26 17.249 -10.607 -6.234 1.00 0.00 H new ATOM 0 HG1 THR A 26 17.130 -12.067 -4.428 1.00 0.00 H new ATOM 0 HG21 THR A 26 18.356 -12.818 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 26 19.293 -11.579 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 26 19.821 -12.131 -5.630 1.00 0.00 H new ATOM 403 N CYS A 27 20.651 -8.655 -6.935 1.00 0.00 N ATOM 404 CA CYS A 27 21.148 -8.146 -8.246 1.00 0.00 C ATOM 405 C CYS A 27 20.957 -9.220 -9.319 1.00 0.00 C ATOM 406 O CYS A 27 20.712 -8.928 -10.473 1.00 0.00 O ATOM 407 CB CYS A 27 22.633 -7.862 -8.016 1.00 0.00 C ATOM 408 SG CYS A 27 23.274 -6.824 -9.353 1.00 0.00 S ATOM 0 H CYS A 27 21.342 -8.675 -6.185 1.00 0.00 H new ATOM 0 HA CYS A 27 20.616 -7.257 -8.586 1.00 0.00 H new ATOM 0 HB2 CYS A 27 22.773 -7.363 -7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 27 23.189 -8.798 -7.972 1.00 0.00 H new ATOM 413 N GLY A 28 21.062 -10.460 -8.939 1.00 0.00 N ATOM 414 CA GLY A 28 20.882 -11.567 -9.918 1.00 0.00 C ATOM 415 C GLY A 28 20.862 -12.893 -9.160 1.00 0.00 C ATOM 416 O GLY A 28 20.597 -12.934 -7.975 1.00 0.00 O ATOM 0 H GLY A 28 21.266 -10.758 -7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.953 -11.434 -10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.691 -11.561 -10.648 1.00 0.00 H new ATOM 420 N SER A 29 21.143 -13.980 -9.819 1.00 0.00 N ATOM 421 CA SER A 29 21.137 -15.285 -9.107 1.00 0.00 C ATOM 422 C SER A 29 22.517 -15.570 -8.515 1.00 0.00 C ATOM 423 O SER A 29 22.620 -16.001 -7.384 1.00 0.00 O ATOM 424 CB SER A 29 20.755 -16.326 -10.160 1.00 0.00 C ATOM 425 OG SER A 29 19.340 -16.365 -10.286 1.00 0.00 O ATOM 0 H SER A 29 21.375 -14.022 -10.811 1.00 0.00 H new ATOM 0 HA SER A 29 20.435 -15.296 -8.273 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.211 -16.076 -11.118 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.134 -17.307 -9.873 1.00 0.00 H new ATOM 0 HG SER A 29 19.090 -17.030 -10.961 1.00 0.00 H new ATOM 431 N PRO A 30 23.540 -15.306 -9.283 1.00 0.00 N ATOM 432 CA PRO A 30 24.908 -15.526 -8.795 1.00 0.00 C ATOM 433 C PRO A 30 25.360 -14.315 -7.976 1.00 0.00 C ATOM 434 O PRO A 30 26.516 -14.186 -7.628 1.00 0.00 O ATOM 435 CB PRO A 30 25.729 -15.658 -10.070 1.00 0.00 C ATOM 436 CG PRO A 30 24.961 -14.913 -11.120 1.00 0.00 C ATOM 437 CD PRO A 30 23.527 -14.790 -10.655 1.00 0.00 C ATOM 0 HA PRO A 30 25.006 -16.397 -8.148 1.00 0.00 H new ATOM 0 HB2 PRO A 30 26.726 -15.237 -9.940 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.859 -16.704 -10.347 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.395 -13.926 -11.281 1.00 0.00 H new ATOM 0 HG3 PRO A 30 25.008 -15.441 -12.072 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.187 -13.755 -10.686 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.853 -15.366 -11.289 1.00 0.00 H new ATOM 445 N PHE A 31 24.454 -13.424 -7.669 1.00 0.00 N ATOM 446 CA PHE A 31 24.839 -12.222 -6.875 1.00 0.00 C ATOM 447 C PHE A 31 23.635 -11.674 -6.102 1.00 0.00 C ATOM 448 O PHE A 31 22.510 -12.085 -6.300 1.00 0.00 O ATOM 449 CB PHE A 31 25.312 -11.188 -7.901 1.00 0.00 C ATOM 450 CG PHE A 31 26.475 -11.733 -8.695 1.00 0.00 C ATOM 451 CD1 PHE A 31 27.736 -11.848 -8.099 1.00 0.00 C ATOM 452 CD2 PHE A 31 26.295 -12.115 -10.029 1.00 0.00 C ATOM 453 CE1 PHE A 31 28.816 -12.347 -8.836 1.00 0.00 C ATOM 454 CE2 PHE A 31 27.375 -12.611 -10.768 1.00 0.00 C ATOM 455 CZ PHE A 31 28.636 -12.729 -10.171 1.00 0.00 C ATOM 0 H PHE A 31 23.470 -13.476 -7.932 1.00 0.00 H new ATOM 0 HA PHE A 31 25.610 -12.460 -6.143 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.493 -10.931 -8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 31 25.608 -10.270 -7.393 1.00 0.00 H new ATOM 0 HD1 PHE A 31 27.876 -11.552 -7.070 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.322 -12.027 -10.489 1.00 0.00 H new ATOM 0 HE1 PHE A 31 29.788 -12.437 -8.375 1.00 0.00 H new ATOM 0 HE2 PHE A 31 27.236 -12.903 -11.799 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.469 -13.114 -10.740 1.00 0.00 H new ATOM 465 N LYS A 32 23.875 -10.735 -5.232 1.00 0.00 N ATOM 466 CA LYS A 32 22.769 -10.124 -4.443 1.00 0.00 C ATOM 467 C LYS A 32 22.930 -8.601 -4.446 1.00 0.00 C ATOM 468 O LYS A 32 23.994 -8.085 -4.726 1.00 0.00 O ATOM 469 CB LYS A 32 22.930 -10.677 -3.026 1.00 0.00 C ATOM 470 CG LYS A 32 22.769 -12.198 -3.050 1.00 0.00 C ATOM 471 CD LYS A 32 22.962 -12.750 -1.636 1.00 0.00 C ATOM 472 CE LYS A 32 22.783 -14.269 -1.651 1.00 0.00 C ATOM 473 NZ LYS A 32 22.816 -14.668 -0.216 1.00 0.00 N ATOM 0 H LYS A 32 24.802 -10.360 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 32 21.785 -10.354 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 32 23.910 -10.411 -2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.187 -10.232 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.781 -12.465 -3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.498 -12.642 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.955 -12.494 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.242 -12.295 -0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.840 -14.552 -2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.578 -14.756 -2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.649 -15.691 -0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.746 -14.437 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.076 -14.155 0.304 1.00 0.00 H new ATOM 487 N CYS A 33 21.892 -7.877 -4.141 1.00 0.00 N ATOM 488 CA CYS A 33 22.004 -6.390 -4.133 1.00 0.00 C ATOM 489 C CYS A 33 22.651 -5.916 -2.829 1.00 0.00 C ATOM 490 O CYS A 33 22.005 -5.825 -1.805 1.00 0.00 O ATOM 491 CB CYS A 33 20.565 -5.885 -4.229 1.00 0.00 C ATOM 492 SG CYS A 33 19.951 -6.112 -5.914 1.00 0.00 S ATOM 0 H CYS A 33 20.973 -8.247 -3.897 1.00 0.00 H new ATOM 0 HA CYS A 33 22.623 -6.018 -4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 33 19.932 -6.425 -3.525 1.00 0.00 H new ATOM 0 HB3 CYS A 33 20.520 -4.831 -3.954 1.00 0.00 H new ATOM 497 N CYS A 34 23.921 -5.611 -2.856 1.00 0.00 N ATOM 498 CA CYS A 34 24.596 -5.145 -1.610 1.00 0.00 C ATOM 499 C CYS A 34 25.363 -3.848 -1.874 1.00 0.00 C ATOM 500 O CYS A 34 25.710 -3.535 -2.996 1.00 0.00 O ATOM 501 CB CYS A 34 25.565 -6.267 -1.237 1.00 0.00 C ATOM 502 SG CYS A 34 24.664 -7.586 -0.385 1.00 0.00 S ATOM 0 H CYS A 34 24.517 -5.664 -3.682 1.00 0.00 H new ATOM 0 HA CYS A 34 23.883 -4.938 -0.812 1.00 0.00 H new ATOM 0 HB2 CYS A 34 26.045 -6.660 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 34 26.357 -5.880 -0.595 1.00 0.00 H new ATOM 507 N LYS A 35 25.635 -3.094 -0.845 1.00 0.00 N ATOM 508 CA LYS A 35 26.385 -1.819 -1.030 1.00 0.00 C ATOM 509 C LYS A 35 27.886 -2.064 -0.853 1.00 0.00 C ATOM 510 O LYS A 35 28.251 -3.192 -0.569 1.00 0.00 O ATOM 511 CB LYS A 35 25.863 -0.888 0.064 1.00 0.00 C ATOM 512 CG LYS A 35 24.364 -0.660 -0.135 1.00 0.00 C ATOM 513 CD LYS A 35 24.137 0.194 -1.383 1.00 0.00 C ATOM 514 CE LYS A 35 22.645 0.208 -1.726 1.00 0.00 C ATOM 515 NZ LYS A 35 22.505 1.196 -2.835 1.00 0.00 N ATOM 516 OXT LYS A 35 28.642 -1.119 -1.003 1.00 0.00 O ATOM 0 H LYS A 35 25.370 -3.306 0.117 1.00 0.00 H new ATOM 0 HA LYS A 35 26.244 -1.396 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 35 26.049 -1.323 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 35 26.394 0.063 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 35 23.851 -1.616 -0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 35 23.942 -0.164 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 35 24.491 1.210 -1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 35 24.710 -0.206 -2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.303 -0.780 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.046 0.498 -0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.578 1.662 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.257 1.910 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.582 0.705 -3.749 1.00 0.00 H new TER 530 LYS A 35