USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 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 Single : A 1 ASN : amide:sc= 0.257 K(o=0.26,f=-0.38) USER MOD Single : A 1 ASN N :NH3+ -159:sc= 0 (180deg=-0.424) USER MOD Single : A 5 SER OG : rot -170:sc= -1.72! USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 14 GLN : amide:sc= -1.3 K(o=-1.3,f=-4.4!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0114 USER MOD Single : A 22 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.14) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -66:sc= 0.462 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -0.706 (180deg=-1.29) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 14.721 -4.911 -6.176 1.00 0.00 N ATOM 2 CA ASN A 1 14.398 -3.754 -7.061 1.00 0.00 C ATOM 3 C ASN A 1 14.062 -4.252 -8.470 1.00 0.00 C ATOM 4 O ASN A 1 14.818 -4.071 -9.403 1.00 0.00 O ATOM 5 CB ASN A 1 15.667 -2.899 -7.075 1.00 0.00 C ATOM 6 CG ASN A 1 15.940 -2.373 -5.663 1.00 0.00 C ATOM 7 OD1 ASN A 1 15.047 -1.884 -5.001 1.00 0.00 O ATOM 8 ND2 ASN A 1 17.147 -2.452 -5.172 1.00 0.00 N ATOM 0 H1 ASN A 1 14.599 -4.632 -5.182 1.00 0.00 H new ATOM 0 H2 ASN A 1 14.084 -5.703 -6.394 1.00 0.00 H new ATOM 0 H3 ASN A 1 15.706 -5.205 -6.335 1.00 0.00 H new ATOM 0 HA ASN A 1 13.535 -3.188 -6.710 1.00 0.00 H new ATOM 0 HB2 ASN A 1 16.513 -3.490 -7.425 1.00 0.00 H new ATOM 0 HB3 ASN A 1 15.551 -2.067 -7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 1 17.339 -2.103 -4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 1 17.898 -2.863 -5.727 1.00 0.00 H new ATOM 17 N GLU A 2 12.932 -4.883 -8.622 1.00 0.00 N ATOM 18 CA GLU A 2 12.533 -5.407 -9.960 1.00 0.00 C ATOM 19 C GLU A 2 12.307 -4.271 -10.972 1.00 0.00 C ATOM 20 O GLU A 2 12.679 -4.399 -12.122 1.00 0.00 O ATOM 21 CB GLU A 2 11.229 -6.163 -9.709 1.00 0.00 C ATOM 22 CG GLU A 2 11.524 -7.445 -8.927 1.00 0.00 C ATOM 23 CD GLU A 2 12.629 -8.231 -9.631 1.00 0.00 C ATOM 24 OE1 GLU A 2 12.672 -8.192 -10.850 1.00 0.00 O ATOM 25 OE2 GLU A 2 13.414 -8.860 -8.941 1.00 0.00 O ATOM 0 H GLU A 2 12.263 -5.060 -7.873 1.00 0.00 H new ATOM 0 HA GLU A 2 13.311 -6.039 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.534 -5.536 -9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.748 -6.405 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.829 -7.200 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.622 -8.053 -8.852 1.00 0.00 H new ATOM 32 N PRO A 3 11.690 -3.200 -10.530 1.00 0.00 N ATOM 33 CA PRO A 3 11.413 -2.066 -11.447 1.00 0.00 C ATOM 34 C PRO A 3 12.689 -1.267 -11.730 1.00 0.00 C ATOM 35 O PRO A 3 12.753 -0.500 -12.671 1.00 0.00 O ATOM 36 CB PRO A 3 10.400 -1.222 -10.683 1.00 0.00 C ATOM 37 CG PRO A 3 10.626 -1.545 -9.239 1.00 0.00 C ATOM 38 CD PRO A 3 11.203 -2.939 -9.168 1.00 0.00 C ATOM 0 HA PRO A 3 11.044 -2.390 -12.420 1.00 0.00 H new ATOM 0 HB2 PRO A 3 10.548 -0.159 -10.876 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.381 -1.462 -10.985 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.308 -0.825 -8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.690 -1.489 -8.683 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.011 -2.999 -8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.449 -3.667 -8.869 1.00 0.00 H new ATOM 46 N VAL A 4 13.704 -1.439 -10.932 1.00 0.00 N ATOM 47 CA VAL A 4 14.970 -0.688 -11.166 1.00 0.00 C ATOM 48 C VAL A 4 16.174 -1.543 -10.766 1.00 0.00 C ATOM 49 O VAL A 4 16.181 -2.172 -9.728 1.00 0.00 O ATOM 50 CB VAL A 4 14.872 0.549 -10.272 1.00 0.00 C ATOM 51 CG1 VAL A 4 13.561 1.285 -10.559 1.00 0.00 C ATOM 52 CG2 VAL A 4 14.910 0.122 -8.803 1.00 0.00 C ATOM 0 H VAL A 4 13.713 -2.066 -10.128 1.00 0.00 H new ATOM 0 HA VAL A 4 15.102 -0.422 -12.215 1.00 0.00 H new ATOM 0 HB VAL A 4 15.712 1.213 -10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.492 2.166 -9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.537 1.591 -11.605 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.720 0.623 -10.355 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.840 1.004 -8.166 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.072 -0.543 -8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.845 -0.399 -8.600 1.00 0.00 H new ATOM 62 N SER A 5 17.191 -1.573 -11.581 1.00 0.00 N ATOM 63 CA SER A 5 18.391 -2.391 -11.240 1.00 0.00 C ATOM 64 C SER A 5 19.043 -1.866 -9.958 1.00 0.00 C ATOM 65 O SER A 5 19.002 -0.687 -9.667 1.00 0.00 O ATOM 66 CB SER A 5 19.336 -2.226 -12.430 1.00 0.00 C ATOM 67 OG SER A 5 19.827 -0.894 -12.462 1.00 0.00 O ATOM 0 H SER A 5 17.245 -1.069 -12.466 1.00 0.00 H new ATOM 0 HA SER A 5 18.140 -3.437 -11.062 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.165 -2.929 -12.350 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.813 -2.455 -13.358 1.00 0.00 H new ATOM 0 HG SER A 5 20.303 -0.741 -13.305 1.00 0.00 H new ATOM 73 N CYS A 6 19.644 -2.733 -9.191 1.00 0.00 N ATOM 74 CA CYS A 6 20.299 -2.285 -7.927 1.00 0.00 C ATOM 75 C CYS A 6 21.539 -1.441 -8.240 1.00 0.00 C ATOM 76 O CYS A 6 21.947 -0.606 -7.457 1.00 0.00 O ATOM 77 CB CYS A 6 20.703 -3.573 -7.208 1.00 0.00 C ATOM 78 SG CYS A 6 19.236 -4.580 -6.887 1.00 0.00 S ATOM 0 H CYS A 6 19.711 -3.732 -9.384 1.00 0.00 H new ATOM 0 HA CYS A 6 19.637 -1.667 -7.320 1.00 0.00 H new ATOM 0 HB2 CYS A 6 21.414 -4.133 -7.816 1.00 0.00 H new ATOM 0 HB3 CYS A 6 21.205 -3.335 -6.270 1.00 0.00 H new ATOM 83 N ILE A 7 22.145 -1.657 -9.376 1.00 0.00 N ATOM 84 CA ILE A 7 23.362 -0.873 -9.735 1.00 0.00 C ATOM 85 C ILE A 7 23.029 0.620 -9.821 1.00 0.00 C ATOM 86 O ILE A 7 23.822 1.463 -9.452 1.00 0.00 O ATOM 87 CB ILE A 7 23.786 -1.408 -11.104 1.00 0.00 C ATOM 88 CG1 ILE A 7 25.129 -0.793 -11.504 1.00 0.00 C ATOM 89 CG2 ILE A 7 22.730 -1.037 -12.145 1.00 0.00 C ATOM 90 CD1 ILE A 7 25.599 -1.412 -12.824 1.00 0.00 C ATOM 0 H ILE A 7 21.850 -2.343 -10.071 1.00 0.00 H new ATOM 0 HA ILE A 7 24.153 -0.977 -8.992 1.00 0.00 H new ATOM 0 HB ILE A 7 23.885 -2.492 -11.052 1.00 0.00 H new ATOM 0 HG12 ILE A 7 25.029 0.287 -11.611 1.00 0.00 H new ATOM 0 HG13 ILE A 7 25.869 -0.969 -10.723 1.00 0.00 H new ATOM 0 HG21 ILE A 7 23.031 -1.418 -13.121 1.00 0.00 H new ATOM 0 HG22 ILE A 7 21.772 -1.476 -11.864 1.00 0.00 H new ATOM 0 HG23 ILE A 7 22.632 0.048 -12.193 1.00 0.00 H new ATOM 0 HD11 ILE A 7 26.556 -0.975 -13.111 1.00 0.00 H new ATOM 0 HD12 ILE A 7 25.714 -2.489 -12.700 1.00 0.00 H new ATOM 0 HD13 ILE A 7 24.862 -1.213 -13.602 1.00 0.00 H new ATOM 102 N ARG A 8 21.866 0.955 -10.307 1.00 0.00 N ATOM 103 CA ARG A 8 21.495 2.396 -10.415 1.00 0.00 C ATOM 104 C ARG A 8 21.674 3.093 -9.064 1.00 0.00 C ATOM 105 O ARG A 8 22.117 4.222 -8.990 1.00 0.00 O ATOM 106 CB ARG A 8 20.023 2.403 -10.831 1.00 0.00 C ATOM 107 CG ARG A 8 19.556 3.847 -11.029 1.00 0.00 C ATOM 108 CD ARG A 8 18.051 3.868 -11.303 1.00 0.00 C ATOM 109 NE ARG A 8 17.713 5.309 -11.476 1.00 0.00 N ATOM 110 CZ ARG A 8 17.482 6.055 -10.430 1.00 0.00 C ATOM 111 NH1 ARG A 8 16.520 5.746 -9.605 1.00 0.00 N ATOM 112 NH2 ARG A 8 18.212 7.115 -10.210 1.00 0.00 N ATOM 0 H ARG A 8 21.158 0.297 -10.633 1.00 0.00 H new ATOM 0 HA ARG A 8 22.121 2.927 -11.132 1.00 0.00 H new ATOM 0 HB2 ARG A 8 19.892 1.837 -11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 8 19.416 1.914 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 8 19.782 4.438 -10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 8 20.093 4.303 -11.861 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.804 3.294 -12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.493 3.428 -10.477 1.00 0.00 H new ATOM 0 HE ARG A 8 17.662 5.712 -12.411 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.947 4.920 -9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.341 6.330 -8.788 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.963 7.360 -10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 8 18.031 7.698 -9.393 1.00 0.00 H new ATOM 126 N ASN A 9 21.330 2.428 -7.999 1.00 0.00 N ATOM 127 CA ASN A 9 21.475 3.048 -6.650 1.00 0.00 C ATOM 128 C ASN A 9 22.953 3.281 -6.328 1.00 0.00 C ATOM 129 O ASN A 9 23.298 4.122 -5.521 1.00 0.00 O ATOM 130 CB ASN A 9 20.873 2.030 -5.680 1.00 0.00 C ATOM 131 CG ASN A 9 19.356 1.983 -5.868 1.00 0.00 C ATOM 132 OD1 ASN A 9 18.767 2.910 -6.388 1.00 0.00 O ATOM 133 ND2 ASN A 9 18.693 0.935 -5.461 1.00 0.00 N ATOM 0 H ASN A 9 20.954 1.480 -8.002 1.00 0.00 H new ATOM 0 HA ASN A 9 20.980 4.017 -6.588 1.00 0.00 H new ATOM 0 HB2 ASN A 9 21.303 1.044 -5.857 1.00 0.00 H new ATOM 0 HB3 ASN A 9 21.115 2.303 -4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.681 0.894 -5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.187 0.157 -5.025 1.00 0.00 H new ATOM 140 N GLY A 10 23.826 2.539 -6.949 1.00 0.00 N ATOM 141 CA GLY A 10 25.279 2.713 -6.676 1.00 0.00 C ATOM 142 C GLY A 10 25.809 1.477 -5.944 1.00 0.00 C ATOM 143 O GLY A 10 26.947 1.434 -5.522 1.00 0.00 O ATOM 0 H GLY A 10 23.596 1.819 -7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.821 2.857 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.443 3.605 -6.072 1.00 0.00 H new ATOM 147 N GLY A 11 24.990 0.470 -5.788 1.00 0.00 N ATOM 148 CA GLY A 11 25.446 -0.759 -5.080 1.00 0.00 C ATOM 149 C GLY A 11 26.068 -1.733 -6.083 1.00 0.00 C ATOM 150 O GLY A 11 26.067 -1.498 -7.277 1.00 0.00 O ATOM 0 H GLY A 11 24.026 0.447 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 11 26.174 -0.499 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 11 24.604 -1.232 -4.574 1.00 0.00 H new ATOM 154 N ILE A 12 26.598 -2.828 -5.608 1.00 0.00 N ATOM 155 CA ILE A 12 27.220 -3.821 -6.531 1.00 0.00 C ATOM 156 C ILE A 12 26.640 -5.211 -6.272 1.00 0.00 C ATOM 157 O ILE A 12 25.914 -5.424 -5.322 1.00 0.00 O ATOM 158 CB ILE A 12 28.708 -3.803 -6.190 1.00 0.00 C ATOM 159 CG1 ILE A 12 29.253 -2.382 -6.341 1.00 0.00 C ATOM 160 CG2 ILE A 12 29.458 -4.745 -7.135 1.00 0.00 C ATOM 161 CD1 ILE A 12 30.697 -2.337 -5.841 1.00 0.00 C ATOM 0 H ILE A 12 26.627 -3.078 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 12 27.036 -3.581 -7.578 1.00 0.00 H new ATOM 0 HB ILE A 12 28.849 -4.134 -5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 12 29.208 -2.072 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.638 -1.683 -5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.521 -4.733 -6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.071 -5.758 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.317 -4.416 -8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 12 31.088 -1.325 -5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 12 30.728 -2.629 -4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 12 31.307 -3.025 -6.427 1.00 0.00 H new ATOM 173 N CYS A 13 26.961 -6.163 -7.103 1.00 0.00 N ATOM 174 CA CYS A 13 26.429 -7.538 -6.888 1.00 0.00 C ATOM 175 C CYS A 13 27.516 -8.423 -6.279 1.00 0.00 C ATOM 176 O CYS A 13 28.690 -8.261 -6.546 1.00 0.00 O ATOM 177 CB CYS A 13 26.023 -8.084 -8.267 1.00 0.00 C ATOM 178 SG CYS A 13 25.520 -6.743 -9.386 1.00 0.00 S ATOM 0 H CYS A 13 27.565 -6.050 -7.917 1.00 0.00 H new ATOM 0 HA CYS A 13 25.577 -7.526 -6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.858 -8.631 -8.704 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.202 -8.792 -8.153 1.00 0.00 H new ATOM 183 N GLN A 14 27.127 -9.361 -5.469 1.00 0.00 N ATOM 184 CA GLN A 14 28.118 -10.276 -4.836 1.00 0.00 C ATOM 185 C GLN A 14 27.480 -11.647 -4.609 1.00 0.00 C ATOM 186 O GLN A 14 26.281 -11.766 -4.457 1.00 0.00 O ATOM 187 CB GLN A 14 28.480 -9.627 -3.501 1.00 0.00 C ATOM 188 CG GLN A 14 29.527 -10.486 -2.787 1.00 0.00 C ATOM 189 CD GLN A 14 30.834 -10.464 -3.582 1.00 0.00 C ATOM 190 OE1 GLN A 14 30.915 -9.844 -4.624 1.00 0.00 O ATOM 191 NE2 GLN A 14 31.868 -11.121 -3.132 1.00 0.00 N ATOM 0 H GLN A 14 26.155 -9.537 -5.214 1.00 0.00 H new ATOM 0 HA GLN A 14 29.000 -10.424 -5.459 1.00 0.00 H new ATOM 0 HB2 GLN A 14 28.869 -8.622 -3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 14 27.590 -9.527 -2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 14 29.696 -10.109 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 14 29.167 -11.510 -2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 14 31.800 -11.641 -2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 14 32.744 -11.114 -3.655 1.00 0.00 H new ATOM 200 N TYR A 15 28.270 -12.684 -4.590 1.00 0.00 N ATOM 201 CA TYR A 15 27.705 -14.049 -4.383 1.00 0.00 C ATOM 202 C TYR A 15 26.989 -14.139 -3.034 1.00 0.00 C ATOM 203 O TYR A 15 25.926 -14.715 -2.922 1.00 0.00 O ATOM 204 CB TYR A 15 28.911 -14.988 -4.411 1.00 0.00 C ATOM 205 CG TYR A 15 29.563 -14.932 -5.771 1.00 0.00 C ATOM 206 CD1 TYR A 15 29.028 -15.666 -6.837 1.00 0.00 C ATOM 207 CD2 TYR A 15 30.704 -14.147 -5.966 1.00 0.00 C ATOM 208 CE1 TYR A 15 29.635 -15.614 -8.096 1.00 0.00 C ATOM 209 CE2 TYR A 15 31.312 -14.093 -7.226 1.00 0.00 C ATOM 210 CZ TYR A 15 30.777 -14.827 -8.291 1.00 0.00 C ATOM 211 OH TYR A 15 31.375 -14.776 -9.534 1.00 0.00 O ATOM 0 H TYR A 15 29.282 -12.647 -4.709 1.00 0.00 H new ATOM 0 HA TYR A 15 26.969 -14.304 -5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 15 29.627 -14.700 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 15 28.596 -16.008 -4.189 1.00 0.00 H new ATOM 0 HD1 TYR A 15 28.147 -16.272 -6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 15 31.117 -13.582 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 15 29.223 -16.181 -8.918 1.00 0.00 H new ATOM 0 HE2 TYR A 15 32.193 -13.486 -7.376 1.00 0.00 H new ATOM 0 HH TYR A 15 32.155 -14.184 -9.498 1.00 0.00 H new ATOM 221 N ARG A 16 27.566 -13.580 -2.008 1.00 0.00 N ATOM 222 CA ARG A 16 26.918 -13.642 -0.666 1.00 0.00 C ATOM 223 C ARG A 16 27.268 -12.399 0.160 1.00 0.00 C ATOM 224 O ARG A 16 28.377 -11.903 0.115 1.00 0.00 O ATOM 225 CB ARG A 16 27.496 -14.897 -0.006 1.00 0.00 C ATOM 226 CG ARG A 16 26.955 -16.149 -0.703 1.00 0.00 C ATOM 227 CD ARG A 16 25.450 -16.268 -0.456 1.00 0.00 C ATOM 228 NE ARG A 16 25.318 -16.449 1.017 1.00 0.00 N ATOM 229 CZ ARG A 16 24.151 -16.321 1.587 1.00 0.00 C ATOM 230 NH1 ARG A 16 23.113 -16.936 1.091 1.00 0.00 N ATOM 231 NH2 ARG A 16 24.023 -15.581 2.654 1.00 0.00 N ATOM 0 H ARG A 16 28.456 -13.083 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 16 25.831 -13.676 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 16 28.584 -14.880 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 16 27.233 -14.916 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 16 27.154 -16.096 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 16 27.466 -17.035 -0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 16 24.922 -15.376 -0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 16 25.026 -17.113 -0.998 1.00 0.00 H new ATOM 0 HE ARG A 16 26.139 -16.673 1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.214 -17.516 0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 16 22.201 -16.837 1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.835 -15.102 3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 16 23.111 -15.481 3.099 1.00 0.00 H new ATOM 245 N CYS A 17 26.331 -11.898 0.919 1.00 0.00 N ATOM 246 CA CYS A 17 26.607 -10.694 1.756 1.00 0.00 C ATOM 247 C CYS A 17 26.396 -11.027 3.237 1.00 0.00 C ATOM 248 O CYS A 17 25.355 -11.517 3.627 1.00 0.00 O ATOM 249 CB CYS A 17 25.590 -9.647 1.297 1.00 0.00 C ATOM 250 SG CYS A 17 26.045 -9.034 -0.345 1.00 0.00 S ATOM 0 H CYS A 17 25.385 -12.271 0.996 1.00 0.00 H new ATOM 0 HA CYS A 17 27.632 -10.341 1.647 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.592 -10.083 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 17 25.557 -8.821 2.008 1.00 0.00 H new ATOM 255 N ILE A 18 27.372 -10.768 4.065 1.00 0.00 N ATOM 256 CA ILE A 18 27.215 -11.077 5.517 1.00 0.00 C ATOM 257 C ILE A 18 27.900 -10.004 6.370 1.00 0.00 C ATOM 258 O ILE A 18 28.649 -9.186 5.874 1.00 0.00 O ATOM 259 CB ILE A 18 27.900 -12.430 5.714 1.00 0.00 C ATOM 260 CG1 ILE A 18 29.372 -12.322 5.306 1.00 0.00 C ATOM 261 CG2 ILE A 18 27.207 -13.484 4.847 1.00 0.00 C ATOM 262 CD1 ILE A 18 30.101 -13.616 5.674 1.00 0.00 C ATOM 0 H ILE A 18 28.268 -10.358 3.801 1.00 0.00 H new ATOM 0 HA ILE A 18 26.168 -11.101 5.818 1.00 0.00 H new ATOM 0 HB ILE A 18 27.834 -12.721 6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 18 29.451 -12.140 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 18 29.838 -11.474 5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 18 27.695 -14.449 4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 18 26.159 -13.562 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 18 27.273 -13.193 3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 18 31.149 -13.539 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 18 30.034 -13.778 6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 18 29.640 -14.454 5.151 1.00 0.00 H new ATOM 274 N GLY A 19 27.646 -10.006 7.651 1.00 0.00 N ATOM 275 CA GLY A 19 28.281 -8.992 8.541 1.00 0.00 C ATOM 276 C GLY A 19 27.754 -7.598 8.194 1.00 0.00 C ATOM 277 O GLY A 19 26.571 -7.400 8.002 1.00 0.00 O ATOM 0 H GLY A 19 27.026 -10.666 8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 19 28.065 -9.224 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 19 29.365 -9.021 8.426 1.00 0.00 H new ATOM 281 N LEU A 20 28.627 -6.631 8.114 1.00 0.00 N ATOM 282 CA LEU A 20 28.182 -5.246 7.782 1.00 0.00 C ATOM 283 C LEU A 20 27.486 -5.225 6.419 1.00 0.00 C ATOM 284 O LEU A 20 26.556 -4.476 6.198 1.00 0.00 O ATOM 285 CB LEU A 20 29.469 -4.421 7.733 1.00 0.00 C ATOM 286 CG LEU A 20 29.931 -4.107 9.157 1.00 0.00 C ATOM 287 CD1 LEU A 20 31.273 -3.374 9.107 1.00 0.00 C ATOM 288 CD2 LEU A 20 28.893 -3.220 9.847 1.00 0.00 C ATOM 0 H LEU A 20 29.630 -6.740 8.264 1.00 0.00 H new ATOM 0 HA LEU A 20 27.470 -4.856 8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.245 -4.971 7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 20 29.299 -3.496 7.182 1.00 0.00 H new ATOM 0 HG LEU A 20 30.044 -5.036 9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.603 -3.150 10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.014 -4.004 8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 20 31.159 -2.445 8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.222 -2.996 10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 20 28.780 -2.290 9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 20 27.936 -3.740 9.883 1.00 0.00 H new ATOM 300 N ARG A 21 27.935 -6.038 5.503 1.00 0.00 N ATOM 301 CA ARG A 21 27.307 -6.059 4.150 1.00 0.00 C ATOM 302 C ARG A 21 25.916 -6.697 4.210 1.00 0.00 C ATOM 303 O ARG A 21 25.727 -7.752 4.783 1.00 0.00 O ATOM 304 CB ARG A 21 28.245 -6.907 3.294 1.00 0.00 C ATOM 305 CG ARG A 21 29.586 -6.188 3.144 1.00 0.00 C ATOM 306 CD ARG A 21 30.487 -6.986 2.201 1.00 0.00 C ATOM 307 NE ARG A 21 31.755 -6.207 2.141 1.00 0.00 N ATOM 308 CZ ARG A 21 32.821 -6.730 1.599 1.00 0.00 C ATOM 309 NH1 ARG A 21 33.866 -6.991 2.334 1.00 0.00 N ATOM 310 NH2 ARG A 21 32.840 -6.992 0.321 1.00 0.00 N ATOM 0 H ARG A 21 28.710 -6.689 5.632 1.00 0.00 H new ATOM 0 HA ARG A 21 27.174 -5.055 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 21 28.393 -7.883 3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.802 -7.082 2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 21 29.430 -5.183 2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 21 30.064 -6.080 4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 21 30.659 -7.995 2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 21 30.037 -7.086 1.213 1.00 0.00 H new ATOM 0 HE ARG A 21 31.790 -5.262 2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.851 -6.786 3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.699 -7.400 1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.022 -6.788 -0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.673 -7.401 -0.103 1.00 0.00 H new ATOM 324 N HIS A 22 24.943 -6.065 3.614 1.00 0.00 N ATOM 325 CA HIS A 22 23.564 -6.632 3.623 1.00 0.00 C ATOM 326 C HIS A 22 22.963 -6.563 2.215 1.00 0.00 C ATOM 327 O HIS A 22 23.333 -5.728 1.415 1.00 0.00 O ATOM 328 CB HIS A 22 22.776 -5.748 4.590 1.00 0.00 C ATOM 329 CG HIS A 22 21.420 -6.355 4.827 1.00 0.00 C ATOM 330 ND1 HIS A 22 21.263 -7.622 5.365 1.00 0.00 N ATOM 331 CD2 HIS A 22 20.151 -5.883 4.599 1.00 0.00 C ATOM 332 CE1 HIS A 22 19.942 -7.868 5.443 1.00 0.00 C ATOM 333 NE2 HIS A 22 19.219 -6.840 4.989 1.00 0.00 N ATOM 0 H HIS A 22 25.043 -5.178 3.120 1.00 0.00 H new ATOM 0 HA HIS A 22 23.546 -7.678 3.928 1.00 0.00 H new ATOM 0 HB2 HIS A 22 23.314 -5.652 5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 22 22.671 -4.744 4.179 1.00 0.00 H new ATOM 0 HD2 HIS A 22 19.912 -4.916 4.181 1.00 0.00 H new ATOM 0 HE1 HIS A 22 19.518 -8.785 5.826 1.00 0.00 H new ATOM 0 HE2 HIS A 22 18.203 -6.771 4.939 1.00 0.00 H new ATOM 341 N LYS A 23 22.045 -7.437 1.902 1.00 0.00 N ATOM 342 CA LYS A 23 21.435 -7.413 0.542 1.00 0.00 C ATOM 343 C LYS A 23 19.975 -6.959 0.611 1.00 0.00 C ATOM 344 O LYS A 23 19.165 -7.532 1.312 1.00 0.00 O ATOM 345 CB LYS A 23 21.527 -8.855 0.041 1.00 0.00 C ATOM 346 CG LYS A 23 20.653 -9.758 0.915 1.00 0.00 C ATOM 347 CD LYS A 23 19.429 -10.206 0.115 1.00 0.00 C ATOM 348 CE LYS A 23 18.624 -11.217 0.935 1.00 0.00 C ATOM 349 NZ LYS A 23 17.628 -11.776 -0.025 1.00 0.00 N ATOM 0 H LYS A 23 21.693 -8.163 2.526 1.00 0.00 H new ATOM 0 HA LYS A 23 21.946 -6.715 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 23 21.201 -8.911 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 23 22.562 -9.195 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 23 21.223 -10.626 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 23 20.340 -9.223 1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 23 18.808 -9.345 -0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.742 -10.654 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.266 -11.999 1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.132 -10.738 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.035 -12.479 0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.028 -11.009 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.126 -12.231 -0.817 1.00 0.00 H new ATOM 363 N ILE A 24 19.633 -5.934 -0.123 1.00 0.00 N ATOM 364 CA ILE A 24 18.226 -5.439 -0.116 1.00 0.00 C ATOM 365 C ILE A 24 17.511 -5.885 -1.396 1.00 0.00 C ATOM 366 O ILE A 24 16.324 -5.686 -1.562 1.00 0.00 O ATOM 367 CB ILE A 24 18.346 -3.917 -0.075 1.00 0.00 C ATOM 368 CG1 ILE A 24 19.104 -3.435 -1.315 1.00 0.00 C ATOM 369 CG2 ILE A 24 19.109 -3.501 1.185 1.00 0.00 C ATOM 370 CD1 ILE A 24 18.833 -1.945 -1.532 1.00 0.00 C ATOM 0 H ILE A 24 20.270 -5.417 -0.729 1.00 0.00 H new ATOM 0 HA ILE A 24 17.651 -5.826 0.726 1.00 0.00 H new ATOM 0 HB ILE A 24 17.351 -3.471 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.173 -3.607 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 24 18.790 -4.004 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 24 19.196 -2.415 1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.571 -3.847 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.105 -3.944 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.373 -1.602 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 24 17.764 -1.787 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.169 -1.383 -0.660 1.00 0.00 H new ATOM 382 N GLY A 25 18.233 -6.487 -2.300 1.00 0.00 N ATOM 383 CA GLY A 25 17.616 -6.952 -3.575 1.00 0.00 C ATOM 384 C GLY A 25 18.507 -8.030 -4.187 1.00 0.00 C ATOM 385 O GLY A 25 19.433 -8.508 -3.563 1.00 0.00 O ATOM 0 H GLY A 25 19.231 -6.678 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.618 -7.348 -3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.504 -6.117 -4.267 1.00 0.00 H new ATOM 389 N THR A 26 18.243 -8.419 -5.403 1.00 0.00 N ATOM 390 CA THR A 26 19.091 -9.466 -6.038 1.00 0.00 C ATOM 391 C THR A 26 19.585 -9.001 -7.411 1.00 0.00 C ATOM 392 O THR A 26 18.848 -8.976 -8.376 1.00 0.00 O ATOM 393 CB THR A 26 18.184 -10.692 -6.168 1.00 0.00 C ATOM 394 OG1 THR A 26 18.961 -11.811 -6.575 1.00 0.00 O ATOM 395 CG2 THR A 26 17.093 -10.422 -7.207 1.00 0.00 C ATOM 0 H THR A 26 17.483 -8.061 -5.981 1.00 0.00 H new ATOM 0 HA THR A 26 19.982 -9.684 -5.449 1.00 0.00 H new ATOM 0 HB THR A 26 17.718 -10.900 -5.205 1.00 0.00 H new ATOM 0 HG1 THR A 26 19.307 -11.658 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.450 -11.298 -7.296 1.00 0.00 H new ATOM 0 HG22 THR A 26 16.497 -9.565 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.554 -10.211 -8.172 1.00 0.00 H new ATOM 403 N CYS A 27 20.836 -8.640 -7.504 1.00 0.00 N ATOM 404 CA CYS A 27 21.390 -8.184 -8.810 1.00 0.00 C ATOM 405 C CYS A 27 21.261 -9.309 -9.838 1.00 0.00 C ATOM 406 O CYS A 27 21.122 -9.078 -11.023 1.00 0.00 O ATOM 407 CB CYS A 27 22.859 -7.882 -8.518 1.00 0.00 C ATOM 408 SG CYS A 27 23.678 -7.286 -10.018 1.00 0.00 S ATOM 0 H CYS A 27 21.500 -8.641 -6.729 1.00 0.00 H new ATOM 0 HA CYS A 27 20.870 -7.316 -9.217 1.00 0.00 H new ATOM 0 HB2 CYS A 27 22.935 -7.133 -7.730 1.00 0.00 H new ATOM 0 HB3 CYS A 27 23.358 -8.780 -8.154 1.00 0.00 H new ATOM 413 N GLY A 28 21.301 -10.527 -9.379 1.00 0.00 N ATOM 414 CA GLY A 28 21.177 -11.691 -10.298 1.00 0.00 C ATOM 415 C GLY A 28 20.976 -12.951 -9.456 1.00 0.00 C ATOM 416 O GLY A 28 20.644 -12.875 -8.289 1.00 0.00 O ATOM 0 H GLY A 28 21.416 -10.769 -8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.336 -11.550 -10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.071 -11.785 -10.914 1.00 0.00 H new ATOM 420 N SER A 29 21.178 -14.108 -10.020 1.00 0.00 N ATOM 421 CA SER A 29 21.000 -15.349 -9.218 1.00 0.00 C ATOM 422 C SER A 29 22.309 -15.706 -8.508 1.00 0.00 C ATOM 423 O SER A 29 22.295 -16.077 -7.351 1.00 0.00 O ATOM 424 CB SER A 29 20.591 -16.436 -10.217 1.00 0.00 C ATOM 425 OG SER A 29 19.296 -16.147 -10.725 1.00 0.00 O ATOM 0 H SER A 29 21.456 -14.248 -10.991 1.00 0.00 H new ATOM 0 HA SER A 29 20.244 -15.233 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.311 -16.485 -11.034 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.594 -17.412 -9.731 1.00 0.00 H new ATOM 0 HG SER A 29 19.034 -16.841 -11.366 1.00 0.00 H new ATOM 431 N PRO A 30 23.407 -15.565 -9.207 1.00 0.00 N ATOM 432 CA PRO A 30 24.714 -15.863 -8.601 1.00 0.00 C ATOM 433 C PRO A 30 25.192 -14.652 -7.794 1.00 0.00 C ATOM 434 O PRO A 30 26.312 -14.609 -7.325 1.00 0.00 O ATOM 435 CB PRO A 30 25.622 -16.107 -9.797 1.00 0.00 C ATOM 436 CG PRO A 30 24.998 -15.355 -10.934 1.00 0.00 C ATOM 437 CD PRO A 30 23.540 -15.132 -10.603 1.00 0.00 C ATOM 0 HA PRO A 30 24.693 -16.711 -7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 30 26.634 -15.752 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.695 -17.171 -10.023 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.505 -14.402 -11.084 1.00 0.00 H new ATOM 0 HG3 PRO A 30 25.096 -15.918 -11.862 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.262 -14.085 -10.721 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.891 -15.710 -11.261 1.00 0.00 H new ATOM 445 N PHE A 31 24.347 -13.666 -7.630 1.00 0.00 N ATOM 446 CA PHE A 31 24.758 -12.458 -6.854 1.00 0.00 C ATOM 447 C PHE A 31 23.560 -11.854 -6.114 1.00 0.00 C ATOM 448 O PHE A 31 22.431 -12.270 -6.287 1.00 0.00 O ATOM 449 CB PHE A 31 25.281 -11.462 -7.894 1.00 0.00 C ATOM 450 CG PHE A 31 26.493 -12.030 -8.595 1.00 0.00 C ATOM 451 CD1 PHE A 31 27.745 -11.987 -7.971 1.00 0.00 C ATOM 452 CD2 PHE A 31 26.366 -12.588 -9.872 1.00 0.00 C ATOM 453 CE1 PHE A 31 28.871 -12.506 -8.623 1.00 0.00 C ATOM 454 CE2 PHE A 31 27.492 -13.106 -10.526 1.00 0.00 C ATOM 455 CZ PHE A 31 28.744 -13.064 -9.901 1.00 0.00 C ATOM 0 H PHE A 31 23.396 -13.645 -7.998 1.00 0.00 H new ATOM 0 HA PHE A 31 25.509 -12.705 -6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.500 -11.242 -8.622 1.00 0.00 H new ATOM 0 HB3 PHE A 31 25.540 -10.521 -7.409 1.00 0.00 H new ATOM 0 HD1 PHE A 31 27.843 -11.554 -6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.400 -12.619 -10.354 1.00 0.00 H new ATOM 0 HE1 PHE A 31 29.837 -12.476 -8.140 1.00 0.00 H new ATOM 0 HE2 PHE A 31 27.394 -13.537 -11.511 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.612 -13.462 -10.405 1.00 0.00 H new ATOM 465 N LYS A 32 23.807 -10.867 -5.299 1.00 0.00 N ATOM 466 CA LYS A 32 22.705 -10.203 -4.543 1.00 0.00 C ATOM 467 C LYS A 32 22.909 -8.683 -4.579 1.00 0.00 C ATOM 468 O LYS A 32 23.999 -8.205 -4.818 1.00 0.00 O ATOM 469 CB LYS A 32 22.838 -10.720 -3.110 1.00 0.00 C ATOM 470 CG LYS A 32 22.544 -12.221 -3.067 1.00 0.00 C ATOM 471 CD LYS A 32 22.300 -12.645 -1.618 1.00 0.00 C ATOM 472 CE LYS A 32 22.067 -14.155 -1.557 1.00 0.00 C ATOM 473 NZ LYS A 32 22.041 -14.474 -0.102 1.00 0.00 N ATOM 0 H LYS A 32 24.737 -10.486 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 32 21.721 -10.416 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 32 23.844 -10.527 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.148 -10.187 -2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.670 -12.450 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.381 -12.780 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.156 -12.374 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 32 21.436 -12.117 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.130 -14.431 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.861 -14.699 -2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.639 -15.423 0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.009 -14.448 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.456 -13.773 0.397 1.00 0.00 H new ATOM 487 N CYS A 33 21.877 -7.919 -4.341 1.00 0.00 N ATOM 488 CA CYS A 33 22.040 -6.434 -4.363 1.00 0.00 C ATOM 489 C CYS A 33 22.647 -5.954 -3.040 1.00 0.00 C ATOM 490 O CYS A 33 21.983 -5.908 -2.024 1.00 0.00 O ATOM 491 CB CYS A 33 20.628 -5.870 -4.533 1.00 0.00 C ATOM 492 SG CYS A 33 19.981 -6.312 -6.163 1.00 0.00 S ATOM 0 H CYS A 33 20.936 -8.253 -4.134 1.00 0.00 H new ATOM 0 HA CYS A 33 22.704 -6.108 -5.164 1.00 0.00 H new ATOM 0 HB2 CYS A 33 19.974 -6.262 -3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 33 20.644 -4.786 -4.420 1.00 0.00 H new ATOM 497 N CYS A 34 23.903 -5.600 -3.043 1.00 0.00 N ATOM 498 CA CYS A 34 24.547 -5.130 -1.782 1.00 0.00 C ATOM 499 C CYS A 34 25.291 -3.811 -2.022 1.00 0.00 C ATOM 500 O CYS A 34 25.810 -3.564 -3.092 1.00 0.00 O ATOM 501 CB CYS A 34 25.529 -6.240 -1.403 1.00 0.00 C ATOM 502 SG CYS A 34 24.612 -7.673 -0.781 1.00 0.00 S ATOM 0 H CYS A 34 24.511 -5.616 -3.862 1.00 0.00 H new ATOM 0 HA CYS A 34 23.819 -4.941 -0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 34 26.125 -6.525 -2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 34 26.223 -5.882 -0.643 1.00 0.00 H new ATOM 507 N LYS A 35 25.348 -2.964 -1.029 1.00 0.00 N ATOM 508 CA LYS A 35 26.060 -1.663 -1.194 1.00 0.00 C ATOM 509 C LYS A 35 26.700 -1.239 0.131 1.00 0.00 C ATOM 510 O LYS A 35 27.147 -2.113 0.856 1.00 0.00 O ATOM 511 CB LYS A 35 24.976 -0.666 -1.610 1.00 0.00 C ATOM 512 CG LYS A 35 24.036 -0.409 -0.430 1.00 0.00 C ATOM 513 CD LYS A 35 22.993 0.636 -0.830 1.00 0.00 C ATOM 514 CE LYS A 35 22.001 0.831 0.318 1.00 0.00 C ATOM 515 NZ LYS A 35 21.002 1.807 -0.202 1.00 0.00 N ATOM 516 OXT LYS A 35 26.733 -0.049 0.397 1.00 0.00 O ATOM 0 H LYS A 35 24.932 -3.117 -0.110 1.00 0.00 H new ATOM 0 HA LYS A 35 26.862 -1.722 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 35 25.433 0.269 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 35 24.414 -1.057 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 35 23.544 -1.336 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 35 24.604 -0.060 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.482 1.581 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.467 0.315 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.527 -0.111 0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.498 1.212 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.286 1.993 0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.482 2.695 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.540 1.414 -1.047 1.00 0.00 H new TER 530 LYS A 35