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 Single : A 1 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.95) USER MOD Single : A 1 ASN N :NH3+ -157:sc= 0 (180deg=-0.958) USER MOD Single : A 5 SER OG : rot -170:sc= -1.85! USER MOD Single : A 9 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.8!) USER MOD Single : A 14 GLN : amide:sc= -2.57! C(o=-2.6!,f=-3.3!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-0.78) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= -0.0617 (180deg=-0.102) USER MOD Single : A 26 THR OG1 : rot 52:sc= 1.16 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00168) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 17.185 -11.698 -11.301 1.00 0.00 N ATOM 2 CA ASN A 1 17.206 -10.727 -12.432 1.00 0.00 C ATOM 3 C ASN A 1 18.541 -10.811 -13.179 1.00 0.00 C ATOM 4 O ASN A 1 19.345 -9.902 -13.141 1.00 0.00 O ATOM 5 CB ASN A 1 17.039 -9.357 -11.777 1.00 0.00 C ATOM 6 CG ASN A 1 15.644 -9.255 -11.156 1.00 0.00 C ATOM 7 OD1 ASN A 1 14.684 -9.762 -11.704 1.00 0.00 O ATOM 8 ND2 ASN A 1 15.487 -8.616 -10.030 1.00 0.00 N ATOM 0 H1 ASN A 1 16.200 -11.921 -11.054 1.00 0.00 H new ATOM 0 H2 ASN A 1 17.678 -12.570 -11.583 1.00 0.00 H new ATOM 0 H3 ASN A 1 17.663 -11.281 -10.477 1.00 0.00 H new ATOM 0 HA ASN A 1 16.424 -10.926 -13.164 1.00 0.00 H new ATOM 0 HB2 ASN A 1 17.801 -9.213 -11.011 1.00 0.00 H new ATOM 0 HB3 ASN A 1 17.178 -8.569 -12.517 1.00 0.00 H new ATOM 0 HD21 ASN A 1 14.560 -8.542 -9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 1 16.291 -8.190 -9.569 1.00 0.00 H new ATOM 17 N GLU A 2 18.779 -11.901 -13.856 1.00 0.00 N ATOM 18 CA GLU A 2 20.057 -12.056 -14.607 1.00 0.00 C ATOM 19 C GLU A 2 20.189 -10.993 -15.708 1.00 0.00 C ATOM 20 O GLU A 2 21.250 -10.425 -15.883 1.00 0.00 O ATOM 21 CB GLU A 2 19.991 -13.457 -15.218 1.00 0.00 C ATOM 22 CG GLU A 2 20.124 -14.504 -14.109 1.00 0.00 C ATOM 23 CD GLU A 2 19.987 -15.905 -14.711 1.00 0.00 C ATOM 24 OE1 GLU A 2 19.701 -15.995 -15.893 1.00 0.00 O ATOM 25 OE2 GLU A 2 20.169 -16.862 -13.978 1.00 0.00 O ATOM 0 H GLU A 2 18.141 -12.694 -13.921 1.00 0.00 H new ATOM 0 HA GLU A 2 20.922 -11.929 -13.957 1.00 0.00 H new ATOM 0 HB2 GLU A 2 19.048 -13.590 -15.748 1.00 0.00 H new ATOM 0 HB3 GLU A 2 20.788 -13.584 -15.950 1.00 0.00 H new ATOM 0 HG2 GLU A 2 21.089 -14.403 -13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 2 19.357 -14.346 -13.351 1.00 0.00 H new ATOM 32 N PRO A 3 19.118 -10.758 -16.428 1.00 0.00 N ATOM 33 CA PRO A 3 19.157 -9.756 -17.523 1.00 0.00 C ATOM 34 C PRO A 3 19.184 -8.334 -16.956 1.00 0.00 C ATOM 35 O PRO A 3 19.341 -7.371 -17.679 1.00 0.00 O ATOM 36 CB PRO A 3 17.870 -10.015 -18.298 1.00 0.00 C ATOM 37 CG PRO A 3 16.943 -10.655 -17.314 1.00 0.00 C ATOM 38 CD PRO A 3 17.792 -11.381 -16.301 1.00 0.00 C ATOM 0 HA PRO A 3 20.046 -9.844 -18.148 1.00 0.00 H new ATOM 0 HB2 PRO A 3 17.451 -9.087 -18.688 1.00 0.00 H new ATOM 0 HB3 PRO A 3 18.049 -10.668 -19.152 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.322 -9.903 -16.826 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.268 -11.348 -17.817 1.00 0.00 H new ATOM 0 HD2 PRO A 3 17.394 -11.267 -15.293 1.00 0.00 H new ATOM 0 HD3 PRO A 3 17.833 -12.450 -16.509 1.00 0.00 H new ATOM 46 N VAL A 4 19.040 -8.196 -15.667 1.00 0.00 N ATOM 47 CA VAL A 4 19.066 -6.837 -15.057 1.00 0.00 C ATOM 48 C VAL A 4 20.037 -6.815 -13.874 1.00 0.00 C ATOM 49 O VAL A 4 20.559 -7.834 -13.467 1.00 0.00 O ATOM 50 CB VAL A 4 17.635 -6.581 -14.586 1.00 0.00 C ATOM 51 CG1 VAL A 4 17.548 -5.201 -13.931 1.00 0.00 C ATOM 52 CG2 VAL A 4 16.689 -6.635 -15.788 1.00 0.00 C ATOM 0 H VAL A 4 18.906 -8.965 -15.010 1.00 0.00 H new ATOM 0 HA VAL A 4 19.400 -6.073 -15.759 1.00 0.00 H new ATOM 0 HB VAL A 4 17.350 -7.343 -13.861 1.00 0.00 H new ATOM 0 HG11 VAL A 4 16.526 -5.021 -13.596 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.223 -5.161 -13.076 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.833 -4.437 -14.654 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.667 -6.453 -15.455 1.00 0.00 H new ATOM 0 HG22 VAL A 4 16.976 -5.872 -16.512 1.00 0.00 H new ATOM 0 HG23 VAL A 4 16.749 -7.618 -16.254 1.00 0.00 H new ATOM 62 N SER A 5 20.285 -5.660 -13.322 1.00 0.00 N ATOM 63 CA SER A 5 21.224 -5.570 -12.165 1.00 0.00 C ATOM 64 C SER A 5 20.779 -4.456 -11.213 1.00 0.00 C ATOM 65 O SER A 5 20.087 -3.537 -11.603 1.00 0.00 O ATOM 66 CB SER A 5 22.583 -5.240 -12.783 1.00 0.00 C ATOM 67 OG SER A 5 22.519 -3.971 -13.417 1.00 0.00 O ATOM 0 H SER A 5 19.879 -4.773 -13.621 1.00 0.00 H new ATOM 0 HA SER A 5 21.256 -6.491 -11.583 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.353 -5.235 -12.012 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.861 -6.006 -13.507 1.00 0.00 H new ATOM 0 HG SER A 5 23.332 -3.828 -13.945 1.00 0.00 H new ATOM 73 N CYS A 6 21.167 -4.531 -9.970 1.00 0.00 N ATOM 74 CA CYS A 6 20.759 -3.472 -9.003 1.00 0.00 C ATOM 75 C CYS A 6 21.866 -2.417 -8.877 1.00 0.00 C ATOM 76 O CYS A 6 21.860 -1.599 -7.978 1.00 0.00 O ATOM 77 CB CYS A 6 20.511 -4.217 -7.677 1.00 0.00 C ATOM 78 SG CYS A 6 22.040 -4.364 -6.713 1.00 0.00 S ATOM 0 H CYS A 6 21.746 -5.276 -9.583 1.00 0.00 H new ATOM 0 HA CYS A 6 19.867 -2.931 -9.317 1.00 0.00 H new ATOM 0 HB2 CYS A 6 19.759 -3.686 -7.093 1.00 0.00 H new ATOM 0 HB3 CYS A 6 20.111 -5.210 -7.884 1.00 0.00 H new ATOM 83 N ILE A 7 22.813 -2.430 -9.779 1.00 0.00 N ATOM 84 CA ILE A 7 23.918 -1.428 -9.719 1.00 0.00 C ATOM 85 C ILE A 7 23.374 -0.026 -10.013 1.00 0.00 C ATOM 86 O ILE A 7 23.926 0.967 -9.584 1.00 0.00 O ATOM 87 CB ILE A 7 24.907 -1.859 -10.804 1.00 0.00 C ATOM 88 CG1 ILE A 7 24.262 -1.693 -12.182 1.00 0.00 C ATOM 89 CG2 ILE A 7 25.292 -3.325 -10.592 1.00 0.00 C ATOM 90 CD1 ILE A 7 25.339 -1.794 -13.264 1.00 0.00 C ATOM 0 H ILE A 7 22.869 -3.091 -10.554 1.00 0.00 H new ATOM 0 HA ILE A 7 24.387 -1.388 -8.736 1.00 0.00 H new ATOM 0 HB ILE A 7 25.801 -1.237 -10.746 1.00 0.00 H new ATOM 0 HG12 ILE A 7 23.504 -2.461 -12.336 1.00 0.00 H new ATOM 0 HG13 ILE A 7 23.757 -0.729 -12.245 1.00 0.00 H new ATOM 0 HG21 ILE A 7 25.997 -3.632 -11.365 1.00 0.00 H new ATOM 0 HG22 ILE A 7 25.755 -3.442 -9.612 1.00 0.00 H new ATOM 0 HG23 ILE A 7 24.399 -3.947 -10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 7 24.881 -1.676 -14.246 1.00 0.00 H new ATOM 0 HD12 ILE A 7 26.081 -1.010 -13.113 1.00 0.00 H new ATOM 0 HD13 ILE A 7 25.824 -2.768 -13.205 1.00 0.00 H new ATOM 102 N ARG A 8 22.295 0.062 -10.744 1.00 0.00 N ATOM 103 CA ARG A 8 21.721 1.402 -11.064 1.00 0.00 C ATOM 104 C ARG A 8 21.583 2.239 -9.791 1.00 0.00 C ATOM 105 O ARG A 8 21.712 3.447 -9.812 1.00 0.00 O ATOM 106 CB ARG A 8 20.343 1.112 -11.658 1.00 0.00 C ATOM 107 CG ARG A 8 20.502 0.443 -13.024 1.00 0.00 C ATOM 108 CD ARG A 8 19.141 0.381 -13.720 1.00 0.00 C ATOM 109 NE ARG A 8 19.446 -0.042 -15.116 1.00 0.00 N ATOM 110 CZ ARG A 8 19.426 -1.309 -15.435 1.00 0.00 C ATOM 111 NH1 ARG A 8 20.526 -1.906 -15.802 1.00 0.00 N ATOM 112 NH2 ARG A 8 18.307 -1.976 -15.384 1.00 0.00 N ATOM 0 H ARG A 8 21.787 -0.733 -11.132 1.00 0.00 H new ATOM 0 HA ARG A 8 22.354 1.965 -11.750 1.00 0.00 H new ATOM 0 HB2 ARG A 8 19.777 0.464 -10.989 1.00 0.00 H new ATOM 0 HB3 ARG A 8 19.778 2.038 -11.759 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.210 1.002 -13.635 1.00 0.00 H new ATOM 0 HG3 ARG A 8 20.908 -0.561 -12.904 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.477 -0.329 -13.228 1.00 0.00 H new ATOM 0 HD3 ARG A 8 18.642 1.350 -13.700 1.00 0.00 H new ATOM 0 HE ARG A 8 19.671 0.658 -15.823 1.00 0.00 H new ATOM 0 HH11 ARG A 8 21.401 -1.384 -15.840 1.00 0.00 H new ATOM 0 HH12 ARG A 8 20.511 -2.895 -16.051 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.448 -1.509 -15.095 1.00 0.00 H new ATOM 0 HH22 ARG A 8 18.291 -2.965 -15.633 1.00 0.00 H new ATOM 126 N ASN A 9 21.312 1.605 -8.685 1.00 0.00 N ATOM 127 CA ASN A 9 21.155 2.360 -7.408 1.00 0.00 C ATOM 128 C ASN A 9 22.497 2.938 -6.952 1.00 0.00 C ATOM 129 O ASN A 9 22.549 3.901 -6.213 1.00 0.00 O ATOM 130 CB ASN A 9 20.650 1.325 -6.404 1.00 0.00 C ATOM 131 CG ASN A 9 20.262 2.025 -5.101 1.00 0.00 C ATOM 132 OD1 ASN A 9 20.776 3.080 -4.788 1.00 0.00 O ATOM 133 ND2 ASN A 9 19.370 1.479 -4.322 1.00 0.00 N ATOM 0 H ASN A 9 21.192 0.595 -8.609 1.00 0.00 H new ATOM 0 HA ASN A 9 20.473 3.204 -7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 9 19.791 0.794 -6.814 1.00 0.00 H new ATOM 0 HB3 ASN A 9 21.423 0.581 -6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 9 19.104 1.938 -3.451 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.938 0.593 -4.584 1.00 0.00 H new ATOM 140 N GLY A 10 23.583 2.357 -7.382 1.00 0.00 N ATOM 141 CA GLY A 10 24.916 2.876 -6.969 1.00 0.00 C ATOM 142 C GLY A 10 25.597 1.864 -6.042 1.00 0.00 C ATOM 143 O GLY A 10 26.720 2.051 -5.622 1.00 0.00 O ATOM 0 H GLY A 10 23.604 1.546 -8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.536 3.054 -7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.803 3.833 -6.459 1.00 0.00 H new ATOM 147 N GLY A 11 24.924 0.791 -5.721 1.00 0.00 N ATOM 148 CA GLY A 11 25.530 -0.232 -4.822 1.00 0.00 C ATOM 149 C GLY A 11 26.251 -1.285 -5.664 1.00 0.00 C ATOM 150 O GLY A 11 26.449 -1.119 -6.850 1.00 0.00 O ATOM 0 H GLY A 11 23.980 0.579 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 11 26.231 0.242 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 11 24.757 -0.703 -4.215 1.00 0.00 H new ATOM 154 N ILE A 12 26.647 -2.368 -5.055 1.00 0.00 N ATOM 155 CA ILE A 12 27.358 -3.436 -5.814 1.00 0.00 C ATOM 156 C ILE A 12 26.736 -4.799 -5.504 1.00 0.00 C ATOM 157 O ILE A 12 25.919 -4.928 -4.615 1.00 0.00 O ATOM 158 CB ILE A 12 28.802 -3.380 -5.310 1.00 0.00 C ATOM 159 CG1 ILE A 12 29.334 -1.951 -5.441 1.00 0.00 C ATOM 160 CG2 ILE A 12 29.672 -4.329 -6.138 1.00 0.00 C ATOM 161 CD1 ILE A 12 30.762 -1.887 -4.894 1.00 0.00 C ATOM 0 H ILE A 12 26.509 -2.560 -4.063 1.00 0.00 H new ATOM 0 HA ILE A 12 27.296 -3.293 -6.893 1.00 0.00 H new ATOM 0 HB ILE A 12 28.832 -3.683 -4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 12 29.319 -1.640 -6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.692 -1.261 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.700 -4.288 -5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.294 -5.347 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.642 -4.029 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 12 31.142 -0.870 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 12 30.763 -2.180 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 12 31.400 -2.565 -5.461 1.00 0.00 H new ATOM 173 N CYS A 13 27.116 -5.821 -6.222 1.00 0.00 N ATOM 174 CA CYS A 13 26.536 -7.166 -5.943 1.00 0.00 C ATOM 175 C CYS A 13 27.632 -8.234 -5.951 1.00 0.00 C ATOM 176 O CYS A 13 28.693 -8.048 -6.512 1.00 0.00 O ATOM 177 CB CYS A 13 25.520 -7.439 -7.064 1.00 0.00 C ATOM 178 SG CYS A 13 24.627 -5.921 -7.492 1.00 0.00 S ATOM 0 H CYS A 13 27.796 -5.785 -6.982 1.00 0.00 H new ATOM 0 HA CYS A 13 26.063 -7.194 -4.961 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.035 -7.826 -7.944 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.814 -8.206 -6.745 1.00 0.00 H new ATOM 183 N GLN A 14 27.375 -9.354 -5.335 1.00 0.00 N ATOM 184 CA GLN A 14 28.391 -10.443 -5.302 1.00 0.00 C ATOM 185 C GLN A 14 27.699 -11.790 -5.092 1.00 0.00 C ATOM 186 O GLN A 14 26.521 -11.853 -4.801 1.00 0.00 O ATOM 187 CB GLN A 14 29.296 -10.110 -4.117 1.00 0.00 C ATOM 188 CG GLN A 14 28.465 -10.103 -2.835 1.00 0.00 C ATOM 189 CD GLN A 14 29.324 -9.600 -1.673 1.00 0.00 C ATOM 190 OE1 GLN A 14 28.958 -8.661 -0.993 1.00 0.00 O ATOM 191 NE2 GLN A 14 30.460 -10.189 -1.414 1.00 0.00 N ATOM 0 H GLN A 14 26.502 -9.563 -4.851 1.00 0.00 H new ATOM 0 HA GLN A 14 28.957 -10.514 -6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 14 30.099 -10.843 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 14 29.766 -9.138 -4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 14 27.591 -9.463 -2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 14 28.097 -11.107 -2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 14 30.768 -10.977 -1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 14 31.040 -9.861 -0.641 1.00 0.00 H new ATOM 200 N TYR A 15 28.418 -12.866 -5.240 1.00 0.00 N ATOM 201 CA TYR A 15 27.798 -14.211 -5.056 1.00 0.00 C ATOM 202 C TYR A 15 27.193 -14.345 -3.656 1.00 0.00 C ATOM 203 O TYR A 15 26.158 -14.956 -3.475 1.00 0.00 O ATOM 204 CB TYR A 15 28.945 -15.207 -5.245 1.00 0.00 C ATOM 205 CG TYR A 15 29.494 -15.086 -6.648 1.00 0.00 C ATOM 206 CD1 TYR A 15 28.811 -15.671 -7.722 1.00 0.00 C ATOM 207 CD2 TYR A 15 30.688 -14.388 -6.876 1.00 0.00 C ATOM 208 CE1 TYR A 15 29.321 -15.559 -9.022 1.00 0.00 C ATOM 209 CE2 TYR A 15 31.197 -14.277 -8.175 1.00 0.00 C ATOM 210 CZ TYR A 15 30.514 -14.862 -9.248 1.00 0.00 C ATOM 211 OH TYR A 15 31.018 -14.753 -10.527 1.00 0.00 O ATOM 0 H TYR A 15 29.409 -12.875 -5.481 1.00 0.00 H new ATOM 0 HA TYR A 15 26.985 -14.383 -5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 15 29.733 -15.013 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 15 28.591 -16.223 -5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 15 27.891 -16.209 -7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 15 31.215 -13.936 -6.049 1.00 0.00 H new ATOM 0 HE1 TYR A 15 28.794 -16.010 -9.850 1.00 0.00 H new ATOM 0 HE2 TYR A 15 32.117 -13.740 -8.350 1.00 0.00 H new ATOM 0 HH TYR A 15 31.851 -14.237 -10.507 1.00 0.00 H new ATOM 221 N ARG A 16 27.828 -13.785 -2.664 1.00 0.00 N ATOM 222 CA ARG A 16 27.284 -13.890 -1.275 1.00 0.00 C ATOM 223 C ARG A 16 27.598 -12.618 -0.477 1.00 0.00 C ATOM 224 O ARG A 16 28.562 -11.928 -0.744 1.00 0.00 O ATOM 225 CB ARG A 16 28.001 -15.093 -0.655 1.00 0.00 C ATOM 226 CG ARG A 16 27.635 -16.373 -1.414 1.00 0.00 C ATOM 227 CD ARG A 16 26.152 -16.695 -1.203 1.00 0.00 C ATOM 228 NE ARG A 16 25.987 -18.076 -1.744 1.00 0.00 N ATOM 229 CZ ARG A 16 24.835 -18.683 -1.653 1.00 0.00 C ATOM 230 NH1 ARG A 16 24.740 -19.804 -0.993 1.00 0.00 N ATOM 231 NH2 ARG A 16 23.780 -18.174 -2.227 1.00 0.00 N ATOM 0 H ARG A 16 28.698 -13.260 -2.752 1.00 0.00 H new ATOM 0 HA ARG A 16 26.201 -14.009 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 16 29.080 -14.939 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 16 27.723 -15.191 0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 16 27.842 -16.248 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 16 28.250 -17.202 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 16 25.882 -16.647 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 16 25.513 -15.985 -1.728 1.00 0.00 H new ATOM 0 HE ARG A 16 26.777 -18.547 -2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 16 25.566 -20.206 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 16 23.840 -20.279 -0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.854 -17.300 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 16 22.881 -18.650 -2.155 1.00 0.00 H new ATOM 245 N CYS A 17 26.794 -12.309 0.508 1.00 0.00 N ATOM 246 CA CYS A 17 27.048 -11.089 1.333 1.00 0.00 C ATOM 247 C CYS A 17 27.195 -11.480 2.809 1.00 0.00 C ATOM 248 O CYS A 17 26.793 -12.550 3.219 1.00 0.00 O ATOM 249 CB CYS A 17 25.813 -10.206 1.137 1.00 0.00 C ATOM 250 SG CYS A 17 25.897 -9.390 -0.480 1.00 0.00 S ATOM 0 H CYS A 17 25.972 -12.849 0.777 1.00 0.00 H new ATOM 0 HA CYS A 17 27.963 -10.575 1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.908 -10.810 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 17 25.758 -9.460 1.930 1.00 0.00 H new ATOM 255 N ILE A 18 27.767 -10.622 3.612 1.00 0.00 N ATOM 256 CA ILE A 18 27.936 -10.952 5.058 1.00 0.00 C ATOM 257 C ILE A 18 27.083 -10.015 5.921 1.00 0.00 C ATOM 258 O ILE A 18 26.495 -9.072 5.435 1.00 0.00 O ATOM 259 CB ILE A 18 29.424 -10.744 5.342 1.00 0.00 C ATOM 260 CG1 ILE A 18 29.775 -9.263 5.183 1.00 0.00 C ATOM 261 CG2 ILE A 18 30.249 -11.570 4.354 1.00 0.00 C ATOM 262 CD1 ILE A 18 31.242 -9.043 5.561 1.00 0.00 C ATOM 0 H ILE A 18 28.124 -9.709 3.330 1.00 0.00 H new ATOM 0 HA ILE A 18 27.617 -11.968 5.289 1.00 0.00 H new ATOM 0 HB ILE A 18 29.646 -11.062 6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 18 29.602 -8.946 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 18 29.130 -8.655 5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 18 31.310 -11.423 4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 18 30.001 -12.625 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 18 30.024 -11.251 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 18 31.493 -7.988 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 18 31.400 -9.345 6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 18 31.879 -9.639 4.908 1.00 0.00 H new ATOM 274 N GLY A 19 27.012 -10.270 7.201 1.00 0.00 N ATOM 275 CA GLY A 19 26.195 -9.396 8.092 1.00 0.00 C ATOM 276 C GLY A 19 26.678 -7.950 7.975 1.00 0.00 C ATOM 277 O GLY A 19 25.903 -7.018 8.062 1.00 0.00 O ATOM 0 H GLY A 19 27.484 -11.045 7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 19 25.142 -9.462 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 19 26.276 -9.735 9.125 1.00 0.00 H new ATOM 281 N LEU A 20 27.951 -7.755 7.776 1.00 0.00 N ATOM 282 CA LEU A 20 28.482 -6.367 7.651 1.00 0.00 C ATOM 283 C LEU A 20 27.816 -5.649 6.477 1.00 0.00 C ATOM 284 O LEU A 20 27.595 -4.454 6.511 1.00 0.00 O ATOM 285 CB LEU A 20 29.977 -6.541 7.388 1.00 0.00 C ATOM 286 CG LEU A 20 30.666 -7.018 8.669 1.00 0.00 C ATOM 287 CD1 LEU A 20 32.184 -6.977 8.479 1.00 0.00 C ATOM 288 CD2 LEU A 20 30.273 -6.104 9.832 1.00 0.00 C ATOM 0 H LEU A 20 28.648 -8.496 7.694 1.00 0.00 H new ATOM 0 HA LEU A 20 28.288 -5.769 8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.135 -7.263 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 20 30.412 -5.598 7.058 1.00 0.00 H new ATOM 0 HG LEU A 20 30.355 -8.039 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 20 32.674 -7.317 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.465 -7.629 7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.496 -5.956 8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.764 -6.444 10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.583 -5.082 9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.192 -6.134 9.969 1.00 0.00 H new ATOM 300 N ARG A 21 27.496 -6.368 5.439 1.00 0.00 N ATOM 301 CA ARG A 21 26.846 -5.727 4.263 1.00 0.00 C ATOM 302 C ARG A 21 25.342 -6.011 4.275 1.00 0.00 C ATOM 303 O ARG A 21 24.912 -7.127 4.487 1.00 0.00 O ATOM 304 CB ARG A 21 27.508 -6.373 3.047 1.00 0.00 C ATOM 305 CG ARG A 21 28.945 -5.862 2.920 1.00 0.00 C ATOM 306 CD ARG A 21 29.567 -6.400 1.630 1.00 0.00 C ATOM 307 NE ARG A 21 30.989 -5.957 1.679 1.00 0.00 N ATOM 308 CZ ARG A 21 31.794 -6.245 0.694 1.00 0.00 C ATOM 309 NH1 ARG A 21 31.740 -7.420 0.130 1.00 0.00 N ATOM 310 NH2 ARG A 21 32.652 -5.356 0.272 1.00 0.00 N ATOM 0 H ARG A 21 27.656 -7.372 5.354 1.00 0.00 H new ATOM 0 HA ARG A 21 26.964 -4.643 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 21 27.504 -7.458 3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 21 26.945 -6.137 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 21 28.955 -4.772 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 21 29.533 -6.182 3.780 1.00 0.00 H new ATOM 0 HD2 ARG A 21 29.493 -7.486 1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 21 29.059 -6.003 0.751 1.00 0.00 H new ATOM 0 HE ARG A 21 31.332 -5.429 2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 21 31.068 -8.113 0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 21 32.369 -7.645 -0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.692 -4.437 0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.282 -5.581 -0.498 1.00 0.00 H new ATOM 324 N HIS A 22 24.539 -5.007 4.052 1.00 0.00 N ATOM 325 CA HIS A 22 23.063 -5.215 4.054 1.00 0.00 C ATOM 326 C HIS A 22 22.583 -5.613 2.656 1.00 0.00 C ATOM 327 O HIS A 22 22.824 -4.922 1.686 1.00 0.00 O ATOM 328 CB HIS A 22 22.475 -3.863 4.459 1.00 0.00 C ATOM 329 CG HIS A 22 21.007 -4.023 4.741 1.00 0.00 C ATOM 330 ND1 HIS A 22 20.067 -4.117 3.728 1.00 0.00 N ATOM 331 CD2 HIS A 22 20.302 -4.106 5.916 1.00 0.00 C ATOM 332 CE1 HIS A 22 18.859 -4.251 4.306 1.00 0.00 C ATOM 333 NE2 HIS A 22 18.946 -4.250 5.638 1.00 0.00 N ATOM 0 H HIS A 22 24.842 -4.050 3.868 1.00 0.00 H new ATOM 0 HA HIS A 22 22.758 -6.012 4.732 1.00 0.00 H new ATOM 0 HB2 HIS A 22 22.987 -3.481 5.342 1.00 0.00 H new ATOM 0 HB3 HIS A 22 22.627 -3.134 3.663 1.00 0.00 H new ATOM 0 HD2 HIS A 22 20.734 -4.066 6.905 1.00 0.00 H new ATOM 0 HE1 HIS A 22 17.933 -4.348 3.759 1.00 0.00 H new ATOM 0 HE2 HIS A 22 18.182 -4.336 6.308 1.00 0.00 H new ATOM 341 N LYS A 23 21.902 -6.720 2.545 1.00 0.00 N ATOM 342 CA LYS A 23 21.405 -7.157 1.210 1.00 0.00 C ATOM 343 C LYS A 23 20.029 -6.542 0.933 1.00 0.00 C ATOM 344 O LYS A 23 19.007 -7.106 1.270 1.00 0.00 O ATOM 345 CB LYS A 23 21.310 -8.681 1.302 1.00 0.00 C ATOM 346 CG LYS A 23 20.887 -9.253 -0.053 1.00 0.00 C ATOM 347 CD LYS A 23 20.350 -10.674 0.141 1.00 0.00 C ATOM 348 CE LYS A 23 20.058 -11.302 -1.222 1.00 0.00 C ATOM 349 NZ LYS A 23 19.613 -12.692 -0.918 1.00 0.00 N ATOM 0 H LYS A 23 21.668 -7.340 3.320 1.00 0.00 H new ATOM 0 HA LYS A 23 22.061 -6.841 0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 23 22.272 -9.098 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 23 20.589 -8.965 2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 23 20.122 -8.621 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 23 21.736 -9.263 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 23 21.078 -11.278 0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.443 -10.652 0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.285 -10.748 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.945 -11.301 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.508 -13.225 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 20.320 -13.159 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.700 -12.663 -0.421 1.00 0.00 H new ATOM 363 N ILE A 24 19.995 -5.386 0.326 1.00 0.00 N ATOM 364 CA ILE A 24 18.686 -4.733 0.033 1.00 0.00 C ATOM 365 C ILE A 24 17.883 -5.573 -0.965 1.00 0.00 C ATOM 366 O ILE A 24 16.670 -5.589 -0.944 1.00 0.00 O ATOM 367 CB ILE A 24 19.047 -3.375 -0.576 1.00 0.00 C ATOM 368 CG1 ILE A 24 17.811 -2.473 -0.586 1.00 0.00 C ATOM 369 CG2 ILE A 24 19.546 -3.571 -2.010 1.00 0.00 C ATOM 370 CD1 ILE A 24 18.221 -1.045 -0.952 1.00 0.00 C ATOM 0 H ILE A 24 20.817 -4.865 0.020 1.00 0.00 H new ATOM 0 HA ILE A 24 18.069 -4.629 0.926 1.00 0.00 H new ATOM 0 HB ILE A 24 19.832 -2.910 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.081 -2.848 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.332 -2.485 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 24 19.802 -2.603 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 24 20.428 -4.211 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 24 18.763 -4.039 -2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 24 17.340 -0.404 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 24 18.935 -0.672 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.681 -1.040 -1.940 1.00 0.00 H new ATOM 382 N GLY A 25 18.554 -6.269 -1.839 1.00 0.00 N ATOM 383 CA GLY A 25 17.831 -7.104 -2.838 1.00 0.00 C ATOM 384 C GLY A 25 18.827 -8.001 -3.574 1.00 0.00 C ATOM 385 O GLY A 25 19.983 -8.090 -3.212 1.00 0.00 O ATOM 0 H GLY A 25 19.572 -6.296 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.077 -7.713 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.307 -6.466 -3.549 1.00 0.00 H new ATOM 389 N THR A 26 18.385 -8.669 -4.604 1.00 0.00 N ATOM 390 CA THR A 26 19.304 -9.565 -5.360 1.00 0.00 C ATOM 391 C THR A 26 19.479 -9.064 -6.798 1.00 0.00 C ATOM 392 O THR A 26 18.620 -9.248 -7.638 1.00 0.00 O ATOM 393 CB THR A 26 18.620 -10.933 -5.346 1.00 0.00 C ATOM 394 OG1 THR A 26 17.405 -10.858 -6.078 1.00 0.00 O ATOM 395 CG2 THR A 26 18.324 -11.342 -3.902 1.00 0.00 C ATOM 0 H THR A 26 17.428 -8.633 -4.954 1.00 0.00 H new ATOM 0 HA THR A 26 20.300 -9.601 -4.918 1.00 0.00 H new ATOM 0 HB THR A 26 19.276 -11.674 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 17.579 -10.471 -6.961 1.00 0.00 H new ATOM 0 HG21 THR A 26 17.837 -12.317 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 26 19.257 -11.397 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.667 -10.604 -3.442 1.00 0.00 H new ATOM 403 N CYS A 27 20.589 -8.439 -7.088 1.00 0.00 N ATOM 404 CA CYS A 27 20.823 -7.937 -8.473 1.00 0.00 C ATOM 405 C CYS A 27 20.502 -9.038 -9.482 1.00 0.00 C ATOM 406 O CYS A 27 19.793 -8.830 -10.448 1.00 0.00 O ATOM 407 CB CYS A 27 22.311 -7.587 -8.516 1.00 0.00 C ATOM 408 SG CYS A 27 22.681 -6.390 -7.209 1.00 0.00 S ATOM 0 H CYS A 27 21.343 -8.255 -6.426 1.00 0.00 H new ATOM 0 HA CYS A 27 20.196 -7.080 -8.721 1.00 0.00 H new ATOM 0 HB2 CYS A 27 22.912 -8.486 -8.382 1.00 0.00 H new ATOM 0 HB3 CYS A 27 22.571 -7.172 -9.490 1.00 0.00 H new ATOM 413 N GLY A 28 21.018 -10.209 -9.254 1.00 0.00 N ATOM 414 CA GLY A 28 20.752 -11.344 -10.179 1.00 0.00 C ATOM 415 C GLY A 28 20.696 -12.636 -9.364 1.00 0.00 C ATOM 416 O GLY A 28 20.498 -12.615 -8.165 1.00 0.00 O ATOM 0 H GLY A 28 21.618 -10.432 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.811 -11.189 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.535 -11.407 -10.935 1.00 0.00 H new ATOM 420 N SER A 29 20.869 -13.762 -9.998 1.00 0.00 N ATOM 421 CA SER A 29 20.824 -15.045 -9.247 1.00 0.00 C ATOM 422 C SER A 29 22.219 -15.425 -8.742 1.00 0.00 C ATOM 423 O SER A 29 22.363 -15.866 -7.619 1.00 0.00 O ATOM 424 CB SER A 29 20.298 -16.077 -10.246 1.00 0.00 C ATOM 425 OG SER A 29 18.888 -15.946 -10.358 1.00 0.00 O ATOM 0 H SER A 29 21.039 -13.848 -11.000 1.00 0.00 H new ATOM 0 HA SER A 29 20.188 -14.981 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.767 -15.930 -11.219 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.556 -17.083 -9.917 1.00 0.00 H new ATOM 0 HG SER A 29 18.548 -16.605 -10.999 1.00 0.00 H new ATOM 431 N PRO A 30 23.209 -15.234 -9.574 1.00 0.00 N ATOM 432 CA PRO A 30 24.587 -15.556 -9.169 1.00 0.00 C ATOM 433 C PRO A 30 25.167 -14.413 -8.329 1.00 0.00 C ATOM 434 O PRO A 30 26.336 -14.402 -8.000 1.00 0.00 O ATOM 435 CB PRO A 30 25.328 -15.701 -10.490 1.00 0.00 C ATOM 436 CG PRO A 30 24.549 -14.886 -11.479 1.00 0.00 C ATOM 437 CD PRO A 30 23.146 -14.717 -10.944 1.00 0.00 C ATOM 0 HA PRO A 30 24.660 -16.453 -8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 30 26.353 -15.341 -10.406 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.381 -16.745 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.020 -13.914 -11.627 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.529 -15.382 -12.450 1.00 0.00 H new ATOM 0 HD2 PRO A 30 22.839 -13.671 -10.960 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.423 -15.270 -11.544 1.00 0.00 H new ATOM 445 N PHE A 31 24.352 -13.451 -7.974 1.00 0.00 N ATOM 446 CA PHE A 31 24.859 -12.316 -7.147 1.00 0.00 C ATOM 447 C PHE A 31 23.739 -11.754 -6.266 1.00 0.00 C ATOM 448 O PHE A 31 22.584 -12.110 -6.402 1.00 0.00 O ATOM 449 CB PHE A 31 25.324 -11.249 -8.143 1.00 0.00 C ATOM 450 CG PHE A 31 26.363 -11.828 -9.071 1.00 0.00 C ATOM 451 CD1 PHE A 31 27.683 -11.986 -8.634 1.00 0.00 C ATOM 452 CD2 PHE A 31 26.007 -12.198 -10.372 1.00 0.00 C ATOM 453 CE1 PHE A 31 28.648 -12.515 -9.500 1.00 0.00 C ATOM 454 CE2 PHE A 31 26.971 -12.728 -11.238 1.00 0.00 C ATOM 455 CZ PHE A 31 28.292 -12.886 -10.801 1.00 0.00 C ATOM 0 H PHE A 31 23.363 -13.403 -8.220 1.00 0.00 H new ATOM 0 HA PHE A 31 25.665 -12.635 -6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.474 -10.882 -8.719 1.00 0.00 H new ATOM 0 HB3 PHE A 31 25.738 -10.395 -7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 31 27.957 -11.700 -7.629 1.00 0.00 H new ATOM 0 HD2 PHE A 31 24.988 -12.075 -10.709 1.00 0.00 H new ATOM 0 HE1 PHE A 31 29.667 -12.637 -9.163 1.00 0.00 H new ATOM 0 HE2 PHE A 31 26.696 -13.015 -12.242 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.036 -13.294 -11.469 1.00 0.00 H new ATOM 465 N LYS A 32 24.076 -10.867 -5.371 1.00 0.00 N ATOM 466 CA LYS A 32 23.046 -10.255 -4.482 1.00 0.00 C ATOM 467 C LYS A 32 23.289 -8.748 -4.403 1.00 0.00 C ATOM 468 O LYS A 32 24.375 -8.284 -4.661 1.00 0.00 O ATOM 469 CB LYS A 32 23.266 -10.892 -3.111 1.00 0.00 C ATOM 470 CG LYS A 32 23.032 -12.402 -3.190 1.00 0.00 C ATOM 471 CD LYS A 32 23.062 -12.983 -1.776 1.00 0.00 C ATOM 472 CE LYS A 32 22.997 -14.509 -1.839 1.00 0.00 C ATOM 473 NZ LYS A 32 23.084 -14.943 -0.417 1.00 0.00 N ATOM 0 H LYS A 32 25.028 -10.537 -5.216 1.00 0.00 H new ATOM 0 HA LYS A 32 22.030 -10.417 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.280 -10.691 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.588 -10.449 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 32 22.072 -12.610 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.799 -12.871 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.972 -12.670 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.222 -12.598 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.070 -14.848 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.817 -14.917 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.047 -15.981 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.979 -14.609 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.287 -14.542 0.118 1.00 0.00 H new ATOM 487 N CYS A 33 22.303 -7.976 -4.040 1.00 0.00 N ATOM 488 CA CYS A 33 22.527 -6.502 -3.947 1.00 0.00 C ATOM 489 C CYS A 33 23.015 -6.136 -2.541 1.00 0.00 C ATOM 490 O CYS A 33 22.330 -6.356 -1.563 1.00 0.00 O ATOM 491 CB CYS A 33 21.170 -5.858 -4.233 1.00 0.00 C ATOM 492 SG CYS A 33 21.428 -4.157 -4.799 1.00 0.00 S ATOM 0 H CYS A 33 21.363 -8.294 -3.806 1.00 0.00 H new ATOM 0 HA CYS A 33 23.285 -6.158 -4.651 1.00 0.00 H new ATOM 0 HB2 CYS A 33 20.635 -6.430 -4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 33 20.553 -5.866 -3.334 1.00 0.00 H new ATOM 497 N CYS A 34 24.192 -5.582 -2.430 1.00 0.00 N ATOM 498 CA CYS A 34 24.719 -5.210 -1.083 1.00 0.00 C ATOM 499 C CYS A 34 25.534 -3.915 -1.170 1.00 0.00 C ATOM 500 O CYS A 34 26.181 -3.644 -2.163 1.00 0.00 O ATOM 501 CB CYS A 34 25.619 -6.378 -0.673 1.00 0.00 C ATOM 502 SG CYS A 34 24.605 -7.838 -0.327 1.00 0.00 S ATOM 0 H CYS A 34 24.812 -5.371 -3.212 1.00 0.00 H new ATOM 0 HA CYS A 34 23.920 -5.036 -0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 34 26.331 -6.598 -1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 34 26.200 -6.110 0.209 1.00 0.00 H new ATOM 507 N LYS A 35 25.515 -3.118 -0.136 1.00 0.00 N ATOM 508 CA LYS A 35 26.295 -1.846 -0.162 1.00 0.00 C ATOM 509 C LYS A 35 27.438 -1.907 0.854 1.00 0.00 C ATOM 510 O LYS A 35 27.186 -1.638 2.018 1.00 0.00 O ATOM 511 CB LYS A 35 25.296 -0.755 0.225 1.00 0.00 C ATOM 512 CG LYS A 35 24.212 -0.647 -0.849 1.00 0.00 C ATOM 513 CD LYS A 35 23.043 0.177 -0.307 1.00 0.00 C ATOM 514 CE LYS A 35 22.000 0.373 -1.409 1.00 0.00 C ATOM 515 NZ LYS A 35 20.944 1.222 -0.787 1.00 0.00 N ATOM 516 OXT LYS A 35 28.546 -2.223 0.452 1.00 0.00 O ATOM 0 H LYS A 35 24.995 -3.291 0.724 1.00 0.00 H new ATOM 0 HA LYS A 35 26.743 -1.659 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 35 24.844 -0.987 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 35 25.810 0.200 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 35 24.618 -0.178 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 35 23.869 -1.641 -1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.594 -0.329 0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 35 23.400 1.144 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.434 0.859 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.594 -0.582 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.182 1.388 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.557 0.738 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.355 2.133 -0.500 1.00 0.00 H new TER 530 LYS A 35