USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=8 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+ 151:sc= -1.11! (180deg=-2.09!) USER MOD Set 1.2: A 26 THR OG1 : rot 155:sc= -3.36! USER MOD Single : A 1 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 1 ASN N :NH3+ -164:sc= 0 (180deg=-0.274) USER MOD Single : A 5 SER OG : rot 180:sc= -1.34 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 14 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.5!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-2.6!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= -1.11 (180deg=-2.43!) USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= -0.111 (180deg=-1.41!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 17.535 -11.448 -17.763 1.00 0.00 N ATOM 2 CA ASN A 1 16.926 -11.282 -16.407 1.00 0.00 C ATOM 3 C ASN A 1 15.646 -10.448 -16.501 1.00 0.00 C ATOM 4 O ASN A 1 15.652 -9.339 -16.995 1.00 0.00 O ATOM 5 CB ASN A 1 17.979 -10.546 -15.576 1.00 0.00 C ATOM 6 CG ASN A 1 19.232 -11.414 -15.449 1.00 0.00 C ATOM 7 OD1 ASN A 1 19.188 -12.484 -14.874 1.00 0.00 O ATOM 8 ND2 ASN A 1 20.354 -10.996 -15.965 1.00 0.00 N ATOM 0 H1 ASN A 1 18.231 -12.221 -17.739 1.00 0.00 H new ATOM 0 H2 ASN A 1 16.790 -11.674 -18.453 1.00 0.00 H new ATOM 0 H3 ASN A 1 18.008 -10.565 -18.042 1.00 0.00 H new ATOM 0 HA ASN A 1 16.655 -12.240 -15.962 1.00 0.00 H new ATOM 0 HB2 ASN A 1 18.229 -9.595 -16.047 1.00 0.00 H new ATOM 0 HB3 ASN A 1 17.581 -10.317 -14.587 1.00 0.00 H new ATOM 0 HD21 ASN A 1 21.196 -11.567 -15.886 1.00 0.00 H new ATOM 0 HD22 ASN A 1 20.390 -10.098 -16.447 1.00 0.00 H new ATOM 17 N GLU A 2 14.548 -10.969 -16.025 1.00 0.00 N ATOM 18 CA GLU A 2 13.273 -10.201 -16.085 1.00 0.00 C ATOM 19 C GLU A 2 13.385 -8.897 -15.279 1.00 0.00 C ATOM 20 O GLU A 2 12.929 -7.864 -15.726 1.00 0.00 O ATOM 21 CB GLU A 2 12.217 -11.124 -15.476 1.00 0.00 C ATOM 22 CG GLU A 2 10.825 -10.541 -15.725 1.00 0.00 C ATOM 23 CD GLU A 2 9.774 -11.421 -15.043 1.00 0.00 C ATOM 24 OE1 GLU A 2 10.156 -12.427 -14.469 1.00 0.00 O ATOM 25 OE2 GLU A 2 8.607 -11.072 -15.106 1.00 0.00 O ATOM 0 H GLU A 2 14.479 -11.893 -15.598 1.00 0.00 H new ATOM 0 HA GLU A 2 13.021 -9.914 -17.106 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.290 -12.118 -15.916 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.390 -11.236 -14.406 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.770 -9.524 -15.337 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.629 -10.485 -16.796 1.00 0.00 H new ATOM 32 N PRO A 3 13.982 -8.980 -14.113 1.00 0.00 N ATOM 33 CA PRO A 3 14.129 -7.774 -13.262 1.00 0.00 C ATOM 34 C PRO A 3 15.249 -6.873 -13.802 1.00 0.00 C ATOM 35 O PRO A 3 15.572 -6.905 -14.972 1.00 0.00 O ATOM 36 CB PRO A 3 14.491 -8.343 -11.893 1.00 0.00 C ATOM 37 CG PRO A 3 15.122 -9.668 -12.174 1.00 0.00 C ATOM 38 CD PRO A 3 14.562 -10.174 -13.480 1.00 0.00 C ATOM 0 HA PRO A 3 13.232 -7.155 -13.233 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.178 -7.684 -11.362 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.606 -8.453 -11.266 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.206 -9.570 -12.235 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.910 -10.371 -11.369 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.340 -10.616 -14.102 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.808 -10.944 -13.318 1.00 0.00 H new ATOM 46 N VAL A 4 15.840 -6.069 -12.961 1.00 0.00 N ATOM 47 CA VAL A 4 16.934 -5.169 -13.430 1.00 0.00 C ATOM 48 C VAL A 4 18.141 -5.272 -12.493 1.00 0.00 C ATOM 49 O VAL A 4 18.056 -5.829 -11.416 1.00 0.00 O ATOM 50 CB VAL A 4 16.339 -3.759 -13.383 1.00 0.00 C ATOM 51 CG1 VAL A 4 17.214 -2.807 -14.202 1.00 0.00 C ATOM 52 CG2 VAL A 4 14.925 -3.778 -13.970 1.00 0.00 C ATOM 0 H VAL A 4 15.613 -5.996 -11.969 1.00 0.00 H new ATOM 0 HA VAL A 4 17.282 -5.431 -14.429 1.00 0.00 H new ATOM 0 HB VAL A 4 16.299 -3.420 -12.348 1.00 0.00 H new ATOM 0 HG11 VAL A 4 16.790 -1.803 -14.168 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.221 -2.790 -13.786 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.255 -3.149 -15.236 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.503 -2.773 -13.936 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.965 -4.120 -15.004 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.299 -4.455 -13.388 1.00 0.00 H new ATOM 62 N SER A 5 19.264 -4.739 -12.892 1.00 0.00 N ATOM 63 CA SER A 5 20.474 -4.809 -12.022 1.00 0.00 C ATOM 64 C SER A 5 20.389 -3.761 -10.909 1.00 0.00 C ATOM 65 O SER A 5 19.747 -2.739 -11.052 1.00 0.00 O ATOM 66 CB SER A 5 21.650 -4.509 -12.952 1.00 0.00 C ATOM 67 OG SER A 5 21.526 -3.191 -13.465 1.00 0.00 O ATOM 0 H SER A 5 19.396 -4.258 -13.782 1.00 0.00 H new ATOM 0 HA SER A 5 20.576 -5.779 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.591 -4.613 -12.411 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.672 -5.228 -13.771 1.00 0.00 H new ATOM 0 HG SER A 5 22.281 -2.999 -14.060 1.00 0.00 H new ATOM 73 N CYS A 6 21.034 -4.008 -9.802 1.00 0.00 N ATOM 74 CA CYS A 6 20.995 -3.028 -8.678 1.00 0.00 C ATOM 75 C CYS A 6 22.116 -1.998 -8.841 1.00 0.00 C ATOM 76 O CYS A 6 22.387 -1.213 -7.954 1.00 0.00 O ATOM 77 CB CYS A 6 21.208 -3.867 -7.417 1.00 0.00 C ATOM 78 SG CYS A 6 20.071 -3.317 -6.121 1.00 0.00 S ATOM 0 H CYS A 6 21.587 -4.847 -9.626 1.00 0.00 H new ATOM 0 HA CYS A 6 20.058 -2.472 -8.641 1.00 0.00 H new ATOM 0 HB2 CYS A 6 21.041 -4.921 -7.637 1.00 0.00 H new ATOM 0 HB3 CYS A 6 22.239 -3.772 -7.075 1.00 0.00 H new ATOM 83 N ILE A 7 22.770 -1.996 -9.972 1.00 0.00 N ATOM 84 CA ILE A 7 23.873 -1.017 -10.196 1.00 0.00 C ATOM 85 C ILE A 7 23.315 0.409 -10.217 1.00 0.00 C ATOM 86 O ILE A 7 23.963 1.347 -9.795 1.00 0.00 O ATOM 87 CB ILE A 7 24.453 -1.381 -11.563 1.00 0.00 C ATOM 88 CG1 ILE A 7 25.774 -0.640 -11.777 1.00 0.00 C ATOM 89 CG2 ILE A 7 23.462 -0.979 -12.657 1.00 0.00 C ATOM 90 CD1 ILE A 7 26.665 -0.816 -10.546 1.00 0.00 C ATOM 0 H ILE A 7 22.588 -2.630 -10.750 1.00 0.00 H new ATOM 0 HA ILE A 7 24.626 -1.055 -9.409 1.00 0.00 H new ATOM 0 HB ILE A 7 24.631 -2.455 -11.606 1.00 0.00 H new ATOM 0 HG12 ILE A 7 26.280 -1.025 -12.663 1.00 0.00 H new ATOM 0 HG13 ILE A 7 25.585 0.419 -11.953 1.00 0.00 H new ATOM 0 HG21 ILE A 7 23.873 -1.237 -13.633 1.00 0.00 H new ATOM 0 HG22 ILE A 7 22.521 -1.508 -12.508 1.00 0.00 H new ATOM 0 HG23 ILE A 7 23.285 0.096 -12.611 1.00 0.00 H new ATOM 0 HD11 ILE A 7 27.606 -0.288 -10.699 1.00 0.00 H new ATOM 0 HD12 ILE A 7 26.159 -0.410 -9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 7 26.865 -1.876 -10.390 1.00 0.00 H new ATOM 102 N ARG A 8 22.117 0.578 -10.706 1.00 0.00 N ATOM 103 CA ARG A 8 21.514 1.941 -10.759 1.00 0.00 C ATOM 104 C ARG A 8 21.584 2.607 -9.384 1.00 0.00 C ATOM 105 O ARG A 8 21.815 3.794 -9.267 1.00 0.00 O ATOM 106 CB ARG A 8 20.061 1.713 -11.174 1.00 0.00 C ATOM 107 CG ARG A 8 20.010 1.343 -12.658 1.00 0.00 C ATOM 108 CD ARG A 8 18.593 1.564 -13.192 1.00 0.00 C ATOM 109 NE ARG A 8 18.621 1.019 -14.579 1.00 0.00 N ATOM 110 CZ ARG A 8 17.515 0.924 -15.265 1.00 0.00 C ATOM 111 NH1 ARG A 8 16.365 0.896 -14.648 1.00 0.00 N ATOM 112 NH2 ARG A 8 17.558 0.857 -16.567 1.00 0.00 N ATOM 0 H ARG A 8 21.528 -0.170 -11.072 1.00 0.00 H new ATOM 0 HA ARG A 8 22.038 2.598 -11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 8 19.620 0.917 -10.574 1.00 0.00 H new ATOM 0 HB3 ARG A 8 19.473 2.613 -10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 8 20.720 1.950 -13.219 1.00 0.00 H new ATOM 0 HG3 ARG A 8 20.303 0.302 -12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.854 1.048 -12.579 1.00 0.00 H new ATOM 0 HD3 ARG A 8 18.329 2.621 -13.187 1.00 0.00 H new ATOM 0 HE ARG A 8 19.505 0.720 -14.992 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.331 0.948 -13.630 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.500 0.822 -15.184 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.456 0.879 -17.049 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.693 0.783 -17.103 1.00 0.00 H new ATOM 126 N ASN A 9 21.385 1.849 -8.344 1.00 0.00 N ATOM 127 CA ASN A 9 21.438 2.433 -6.972 1.00 0.00 C ATOM 128 C ASN A 9 22.880 2.794 -6.605 1.00 0.00 C ATOM 129 O ASN A 9 23.138 3.398 -5.583 1.00 0.00 O ATOM 130 CB ASN A 9 20.909 1.331 -6.054 1.00 0.00 C ATOM 131 CG ASN A 9 19.448 1.036 -6.401 1.00 0.00 C ATOM 132 OD1 ASN A 9 19.103 -0.082 -6.729 1.00 0.00 O ATOM 133 ND2 ASN A 9 18.569 1.998 -6.342 1.00 0.00 N ATOM 0 H ASN A 9 21.188 0.849 -8.382 1.00 0.00 H new ATOM 0 HA ASN A 9 20.853 3.349 -6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 9 21.510 0.429 -6.167 1.00 0.00 H new ATOM 0 HB3 ASN A 9 20.991 1.640 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.593 1.812 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.858 2.937 -6.067 1.00 0.00 H new ATOM 140 N GLY A 10 23.822 2.431 -7.432 1.00 0.00 N ATOM 141 CA GLY A 10 25.244 2.755 -7.130 1.00 0.00 C ATOM 142 C GLY A 10 25.806 1.724 -6.149 1.00 0.00 C ATOM 143 O GLY A 10 26.854 1.917 -5.564 1.00 0.00 O ATOM 0 H GLY A 10 23.668 1.924 -8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.831 2.756 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.317 3.756 -6.704 1.00 0.00 H new ATOM 147 N GLY A 11 25.118 0.631 -5.963 1.00 0.00 N ATOM 148 CA GLY A 11 25.613 -0.408 -5.017 1.00 0.00 C ATOM 149 C GLY A 11 26.363 -1.492 -5.792 1.00 0.00 C ATOM 150 O GLY A 11 26.633 -1.357 -6.969 1.00 0.00 O ATOM 0 H GLY A 11 24.235 0.413 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 11 26.272 0.045 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 11 24.777 -0.848 -4.474 1.00 0.00 H new ATOM 154 N ILE A 12 26.700 -2.569 -5.139 1.00 0.00 N ATOM 155 CA ILE A 12 27.431 -3.667 -5.834 1.00 0.00 C ATOM 156 C ILE A 12 26.772 -5.008 -5.510 1.00 0.00 C ATOM 157 O ILE A 12 25.883 -5.084 -4.684 1.00 0.00 O ATOM 158 CB ILE A 12 28.854 -3.614 -5.278 1.00 0.00 C ATOM 159 CG1 ILE A 12 29.400 -2.192 -5.413 1.00 0.00 C ATOM 160 CG2 ILE A 12 29.747 -4.579 -6.062 1.00 0.00 C ATOM 161 CD1 ILE A 12 30.577 -2.009 -4.454 1.00 0.00 C ATOM 0 H ILE A 12 26.501 -2.737 -4.153 1.00 0.00 H new ATOM 0 HA ILE A 12 27.421 -3.557 -6.918 1.00 0.00 H new ATOM 0 HB ILE A 12 28.844 -3.903 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 12 29.720 -2.009 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.618 -1.467 -5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.761 -4.540 -5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.358 -5.593 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.758 -4.292 -7.113 1.00 0.00 H new ATOM 0 HD11 ILE A 12 30.969 -0.996 -4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 12 30.241 -2.175 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 12 31.361 -2.725 -4.699 1.00 0.00 H new ATOM 173 N CYS A 13 27.186 -6.068 -6.149 1.00 0.00 N ATOM 174 CA CYS A 13 26.551 -7.382 -5.855 1.00 0.00 C ATOM 175 C CYS A 13 27.595 -8.495 -5.756 1.00 0.00 C ATOM 176 O CYS A 13 28.696 -8.389 -6.257 1.00 0.00 O ATOM 177 CB CYS A 13 25.600 -7.659 -7.025 1.00 0.00 C ATOM 178 SG CYS A 13 24.695 -6.152 -7.466 1.00 0.00 S ATOM 0 H CYS A 13 27.925 -6.082 -6.852 1.00 0.00 H new ATOM 0 HA CYS A 13 26.029 -7.354 -4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.165 -8.018 -7.885 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.898 -8.447 -6.754 1.00 0.00 H new ATOM 183 N GLN A 14 27.231 -9.570 -5.114 1.00 0.00 N ATOM 184 CA GLN A 14 28.157 -10.727 -4.962 1.00 0.00 C ATOM 185 C GLN A 14 27.335 -11.990 -4.692 1.00 0.00 C ATOM 186 O GLN A 14 26.236 -11.924 -4.179 1.00 0.00 O ATOM 187 CB GLN A 14 29.035 -10.388 -3.759 1.00 0.00 C ATOM 188 CG GLN A 14 30.084 -11.485 -3.565 1.00 0.00 C ATOM 189 CD GLN A 14 31.101 -11.428 -4.706 1.00 0.00 C ATOM 190 OE1 GLN A 14 31.335 -10.381 -5.275 1.00 0.00 O ATOM 191 NE2 GLN A 14 31.721 -12.518 -5.066 1.00 0.00 N ATOM 0 H GLN A 14 26.316 -9.698 -4.681 1.00 0.00 H new ATOM 0 HA GLN A 14 28.760 -10.906 -5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 14 29.524 -9.426 -3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 14 28.422 -10.295 -2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 14 30.588 -11.355 -2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 14 29.603 -12.463 -3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 14 31.525 -13.398 -4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 14 32.402 -12.490 -5.825 1.00 0.00 H new ATOM 200 N TYR A 15 27.846 -13.138 -5.038 1.00 0.00 N ATOM 201 CA TYR A 15 27.069 -14.390 -4.801 1.00 0.00 C ATOM 202 C TYR A 15 26.453 -14.378 -3.401 1.00 0.00 C ATOM 203 O TYR A 15 25.292 -14.684 -3.220 1.00 0.00 O ATOM 204 CB TYR A 15 28.079 -15.529 -4.935 1.00 0.00 C ATOM 205 CG TYR A 15 27.341 -16.845 -4.908 1.00 0.00 C ATOM 206 CD1 TYR A 15 26.412 -17.146 -5.911 1.00 0.00 C ATOM 207 CD2 TYR A 15 27.582 -17.763 -3.879 1.00 0.00 C ATOM 208 CE1 TYR A 15 25.724 -18.364 -5.886 1.00 0.00 C ATOM 209 CE2 TYR A 15 26.893 -18.982 -3.853 1.00 0.00 C ATOM 210 CZ TYR A 15 25.964 -19.282 -4.856 1.00 0.00 C ATOM 211 OH TYR A 15 25.287 -20.484 -4.830 1.00 0.00 O ATOM 0 H TYR A 15 28.761 -13.265 -5.471 1.00 0.00 H new ATOM 0 HA TYR A 15 26.246 -14.497 -5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 15 28.638 -15.429 -5.866 1.00 0.00 H new ATOM 0 HB3 TYR A 15 28.804 -15.487 -4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 15 26.226 -16.438 -6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 15 28.299 -17.531 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 15 25.008 -18.596 -6.661 1.00 0.00 H new ATOM 0 HE2 TYR A 15 27.078 -19.690 -3.059 1.00 0.00 H new ATOM 0 HH TYR A 15 25.573 -21.003 -4.050 1.00 0.00 H new ATOM 221 N ARG A 16 27.222 -14.026 -2.412 1.00 0.00 N ATOM 222 CA ARG A 16 26.683 -13.990 -1.021 1.00 0.00 C ATOM 223 C ARG A 16 27.182 -12.736 -0.298 1.00 0.00 C ATOM 224 O ARG A 16 28.281 -12.270 -0.530 1.00 0.00 O ATOM 225 CB ARG A 16 27.231 -15.251 -0.352 1.00 0.00 C ATOM 226 CG ARG A 16 26.667 -16.488 -1.055 1.00 0.00 C ATOM 227 CD ARG A 16 25.224 -16.722 -0.604 1.00 0.00 C ATOM 228 NE ARG A 16 24.874 -18.070 -1.135 1.00 0.00 N ATOM 229 CZ ARG A 16 23.851 -18.720 -0.651 1.00 0.00 C ATOM 230 NH1 ARG A 16 22.751 -18.819 -1.347 1.00 0.00 N ATOM 231 NH2 ARG A 16 23.927 -19.273 0.529 1.00 0.00 N ATOM 0 H ARG A 16 28.203 -13.761 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 16 25.594 -13.959 -0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 16 28.320 -15.257 -0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 16 26.958 -15.263 0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 16 26.703 -16.352 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 16 27.277 -17.361 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 16 25.139 -16.690 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 16 24.557 -15.956 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 16 25.435 -18.485 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 16 22.691 -18.388 -2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 16 21.952 -19.327 -0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.786 -19.197 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 16 23.127 -19.781 0.907 1.00 0.00 H new ATOM 245 N CYS A 17 26.384 -12.181 0.574 1.00 0.00 N ATOM 246 CA CYS A 17 26.817 -10.954 1.304 1.00 0.00 C ATOM 247 C CYS A 17 27.036 -11.262 2.788 1.00 0.00 C ATOM 248 O CYS A 17 26.200 -11.856 3.439 1.00 0.00 O ATOM 249 CB CYS A 17 25.669 -9.960 1.127 1.00 0.00 C ATOM 250 SG CYS A 17 25.628 -9.384 -0.588 1.00 0.00 S ATOM 0 H CYS A 17 25.453 -12.523 0.812 1.00 0.00 H new ATOM 0 HA CYS A 17 27.760 -10.562 0.922 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.722 -10.433 1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 17 25.798 -9.115 1.803 1.00 0.00 H new ATOM 255 N ILE A 18 28.152 -10.856 3.330 1.00 0.00 N ATOM 256 CA ILE A 18 28.421 -11.120 4.773 1.00 0.00 C ATOM 257 C ILE A 18 28.938 -9.852 5.455 1.00 0.00 C ATOM 258 O ILE A 18 29.341 -8.906 4.807 1.00 0.00 O ATOM 259 CB ILE A 18 29.497 -12.207 4.784 1.00 0.00 C ATOM 260 CG1 ILE A 18 30.742 -11.702 4.053 1.00 0.00 C ATOM 261 CG2 ILE A 18 28.964 -13.457 4.082 1.00 0.00 C ATOM 262 CD1 ILE A 18 31.784 -12.821 3.985 1.00 0.00 C ATOM 0 H ILE A 18 28.889 -10.353 2.836 1.00 0.00 H new ATOM 0 HA ILE A 18 27.523 -11.428 5.309 1.00 0.00 H new ATOM 0 HB ILE A 18 29.757 -12.451 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 18 30.478 -11.375 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 18 31.155 -10.837 4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 18 29.730 -14.233 4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 18 28.078 -13.817 4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 18 28.704 -13.213 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 18 32.671 -12.461 3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 18 32.056 -13.127 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 18 31.368 -13.673 3.447 1.00 0.00 H new ATOM 274 N GLY A 19 28.928 -9.824 6.759 1.00 0.00 N ATOM 275 CA GLY A 19 29.418 -8.617 7.482 1.00 0.00 C ATOM 276 C GLY A 19 28.237 -7.703 7.814 1.00 0.00 C ATOM 277 O GLY A 19 27.096 -8.121 7.808 1.00 0.00 O ATOM 0 H GLY A 19 28.602 -10.585 7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 19 29.931 -8.912 8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 19 30.143 -8.083 6.868 1.00 0.00 H new ATOM 281 N LEU A 20 28.501 -6.458 8.102 1.00 0.00 N ATOM 282 CA LEU A 20 27.393 -5.518 8.435 1.00 0.00 C ATOM 283 C LEU A 20 26.568 -5.211 7.182 1.00 0.00 C ATOM 284 O LEU A 20 25.410 -4.852 7.262 1.00 0.00 O ATOM 285 CB LEU A 20 28.090 -4.254 8.940 1.00 0.00 C ATOM 286 CG LEU A 20 28.667 -4.512 10.335 1.00 0.00 C ATOM 287 CD1 LEU A 20 29.374 -3.249 10.834 1.00 0.00 C ATOM 288 CD2 LEU A 20 27.536 -4.879 11.297 1.00 0.00 C ATOM 0 H LEU A 20 29.436 -6.051 8.121 1.00 0.00 H new ATOM 0 HA LEU A 20 26.707 -5.930 9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 20 28.886 -3.966 8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 20 27.383 -3.425 8.975 1.00 0.00 H new ATOM 0 HG LEU A 20 29.381 -5.334 10.287 1.00 0.00 H new ATOM 0 HD11 LEU A 20 29.785 -3.431 11.827 1.00 0.00 H new ATOM 0 HD12 LEU A 20 30.181 -2.989 10.149 1.00 0.00 H new ATOM 0 HD13 LEU A 20 28.660 -2.427 10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 20 27.948 -5.062 12.289 1.00 0.00 H new ATOM 0 HD22 LEU A 20 26.820 -4.058 11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 20 27.033 -5.778 10.941 1.00 0.00 H new ATOM 300 N ARG A 21 27.158 -5.348 6.025 1.00 0.00 N ATOM 301 CA ARG A 21 26.410 -5.064 4.766 1.00 0.00 C ATOM 302 C ARG A 21 25.155 -5.937 4.685 1.00 0.00 C ATOM 303 O ARG A 21 25.158 -7.086 5.081 1.00 0.00 O ATOM 304 CB ARG A 21 27.382 -5.422 3.641 1.00 0.00 C ATOM 305 CG ARG A 21 28.572 -4.461 3.665 1.00 0.00 C ATOM 306 CD ARG A 21 29.594 -4.890 2.610 1.00 0.00 C ATOM 307 NE ARG A 21 30.696 -3.894 2.718 1.00 0.00 N ATOM 308 CZ ARG A 21 31.774 -4.032 1.996 1.00 0.00 C ATOM 309 NH1 ARG A 21 32.349 -5.200 1.898 1.00 0.00 N ATOM 310 NH2 ARG A 21 32.279 -3.002 1.374 1.00 0.00 N ATOM 0 H ARG A 21 28.126 -5.644 5.897 1.00 0.00 H new ATOM 0 HA ARG A 21 26.079 -4.027 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 21 27.728 -6.449 3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 21 26.875 -5.365 2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 21 28.235 -3.443 3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 21 29.032 -4.459 4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 21 29.955 -5.901 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 21 29.156 -4.888 1.612 1.00 0.00 H new ATOM 0 HE ARG A 21 30.608 -3.104 3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 21 31.955 -6.005 2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.192 -5.308 1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 21 31.831 -2.089 1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.122 -3.110 0.810 1.00 0.00 H new ATOM 324 N HIS A 22 24.082 -5.402 4.170 1.00 0.00 N ATOM 325 CA HIS A 22 22.828 -6.201 4.060 1.00 0.00 C ATOM 326 C HIS A 22 22.406 -6.318 2.593 1.00 0.00 C ATOM 327 O HIS A 22 22.833 -5.551 1.752 1.00 0.00 O ATOM 328 CB HIS A 22 21.787 -5.417 4.860 1.00 0.00 C ATOM 329 CG HIS A 22 22.303 -5.175 6.253 1.00 0.00 C ATOM 330 ND1 HIS A 22 22.667 -6.212 7.098 1.00 0.00 N ATOM 331 CD2 HIS A 22 22.521 -4.020 6.962 1.00 0.00 C ATOM 332 CE1 HIS A 22 23.081 -5.666 8.256 1.00 0.00 C ATOM 333 NE2 HIS A 22 23.012 -4.332 8.227 1.00 0.00 N ATOM 0 H HIS A 22 24.019 -4.446 3.820 1.00 0.00 H new ATOM 0 HA HIS A 22 22.948 -7.216 4.437 1.00 0.00 H new ATOM 0 HB2 HIS A 22 21.575 -4.467 4.369 1.00 0.00 H new ATOM 0 HB3 HIS A 22 20.849 -5.972 4.899 1.00 0.00 H new ATOM 0 HD2 HIS A 22 22.339 -3.021 6.594 1.00 0.00 H new ATOM 0 HE1 HIS A 22 23.427 -6.236 9.105 1.00 0.00 H new ATOM 0 HE2 HIS A 22 23.265 -3.682 8.971 1.00 0.00 H new ATOM 341 N LYS A 23 21.575 -7.274 2.276 1.00 0.00 N ATOM 342 CA LYS A 23 21.132 -7.440 0.862 1.00 0.00 C ATOM 343 C LYS A 23 19.747 -6.820 0.661 1.00 0.00 C ATOM 344 O LYS A 23 18.737 -7.427 0.956 1.00 0.00 O ATOM 345 CB LYS A 23 21.082 -8.952 0.641 1.00 0.00 C ATOM 346 CG LYS A 23 20.679 -9.246 -0.806 1.00 0.00 C ATOM 347 CD LYS A 23 20.251 -10.711 -0.929 1.00 0.00 C ATOM 348 CE LYS A 23 19.676 -10.959 -2.326 1.00 0.00 C ATOM 349 NZ LYS A 23 19.267 -12.392 -2.322 1.00 0.00 N ATOM 0 H LYS A 23 21.184 -7.947 2.935 1.00 0.00 H new ATOM 0 HA LYS A 23 21.802 -6.946 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 23 22.055 -9.393 0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 23 20.368 -9.407 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 23 19.862 -8.591 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 23 21.514 -9.043 -1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 23 21.104 -11.366 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.506 -10.948 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.826 -10.306 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.418 -10.762 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.469 -12.527 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 20.067 -12.982 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.978 -12.668 -1.362 1.00 0.00 H new ATOM 363 N ILE A 24 19.690 -5.618 0.158 1.00 0.00 N ATOM 364 CA ILE A 24 18.369 -4.962 -0.064 1.00 0.00 C ATOM 365 C ILE A 24 17.596 -5.691 -1.165 1.00 0.00 C ATOM 366 O ILE A 24 16.382 -5.677 -1.200 1.00 0.00 O ATOM 367 CB ILE A 24 18.703 -3.539 -0.505 1.00 0.00 C ATOM 368 CG1 ILE A 24 19.341 -2.778 0.658 1.00 0.00 C ATOM 369 CG2 ILE A 24 17.420 -2.827 -0.937 1.00 0.00 C ATOM 370 CD1 ILE A 24 19.992 -1.497 0.132 1.00 0.00 C ATOM 0 H ILE A 24 20.501 -5.061 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 24 17.746 -4.978 0.830 1.00 0.00 H new ATOM 0 HB ILE A 24 19.401 -3.573 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.586 -2.535 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.087 -3.402 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.656 -1.811 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.965 -3.368 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.723 -2.794 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.447 -0.954 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.759 -1.752 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.235 -0.871 -0.340 1.00 0.00 H new ATOM 382 N GLY A 25 18.294 -6.326 -2.065 1.00 0.00 N ATOM 383 CA GLY A 25 17.608 -7.054 -3.170 1.00 0.00 C ATOM 384 C GLY A 25 18.595 -8.012 -3.838 1.00 0.00 C ATOM 385 O GLY A 25 19.680 -8.249 -3.344 1.00 0.00 O ATOM 0 H GLY A 25 19.313 -6.372 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.754 -7.608 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.221 -6.345 -3.902 1.00 0.00 H new ATOM 389 N THR A 26 18.227 -8.566 -4.958 1.00 0.00 N ATOM 390 CA THR A 26 19.141 -9.511 -5.660 1.00 0.00 C ATOM 391 C THR A 26 19.416 -9.028 -7.087 1.00 0.00 C ATOM 392 O THR A 26 18.547 -9.043 -7.936 1.00 0.00 O ATOM 393 CB THR A 26 18.389 -10.841 -5.681 1.00 0.00 C ATOM 394 OG1 THR A 26 18.117 -11.251 -4.348 1.00 0.00 O ATOM 395 CG2 THR A 26 19.241 -11.901 -6.377 1.00 0.00 C ATOM 0 H THR A 26 17.332 -8.406 -5.419 1.00 0.00 H new ATOM 0 HA THR A 26 20.108 -9.594 -5.164 1.00 0.00 H new ATOM 0 HB THR A 26 17.451 -10.719 -6.223 1.00 0.00 H new ATOM 0 HG1 THR A 26 17.333 -11.839 -4.340 1.00 0.00 H new ATOM 0 HG21 THR A 26 18.703 -12.849 -6.391 1.00 0.00 H new ATOM 0 HG22 THR A 26 19.449 -11.587 -7.400 1.00 0.00 H new ATOM 0 HG23 THR A 26 20.180 -12.025 -5.838 1.00 0.00 H new ATOM 403 N CYS A 27 20.621 -8.606 -7.359 1.00 0.00 N ATOM 404 CA CYS A 27 20.949 -8.130 -8.736 1.00 0.00 C ATOM 405 C CYS A 27 20.705 -9.258 -9.738 1.00 0.00 C ATOM 406 O CYS A 27 20.142 -9.059 -10.796 1.00 0.00 O ATOM 407 CB CYS A 27 22.436 -7.760 -8.693 1.00 0.00 C ATOM 408 SG CYS A 27 22.750 -6.670 -7.280 1.00 0.00 S ATOM 0 H CYS A 27 21.391 -8.570 -6.691 1.00 0.00 H new ATOM 0 HA CYS A 27 20.335 -7.283 -9.042 1.00 0.00 H new ATOM 0 HB2 CYS A 27 23.043 -8.662 -8.612 1.00 0.00 H new ATOM 0 HB3 CYS A 27 22.725 -7.264 -9.619 1.00 0.00 H new ATOM 413 N GLY A 28 21.121 -10.443 -9.400 1.00 0.00 N ATOM 414 CA GLY A 28 20.916 -11.603 -10.309 1.00 0.00 C ATOM 415 C GLY A 28 20.885 -12.881 -9.472 1.00 0.00 C ATOM 416 O GLY A 28 20.684 -12.840 -8.275 1.00 0.00 O ATOM 0 H GLY A 28 21.599 -10.661 -8.525 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.983 -11.490 -10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.718 -11.653 -11.045 1.00 0.00 H new ATOM 420 N SER A 29 21.093 -14.014 -10.077 1.00 0.00 N ATOM 421 CA SER A 29 21.083 -15.275 -9.291 1.00 0.00 C ATOM 422 C SER A 29 22.475 -15.543 -8.715 1.00 0.00 C ATOM 423 O SER A 29 22.598 -15.939 -7.572 1.00 0.00 O ATOM 424 CB SER A 29 20.670 -16.373 -10.275 1.00 0.00 C ATOM 425 OG SER A 29 19.257 -16.356 -10.431 1.00 0.00 O ATOM 0 H SER A 29 21.269 -14.122 -11.076 1.00 0.00 H new ATOM 0 HA SER A 29 20.396 -15.229 -8.446 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.156 -16.216 -11.238 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.995 -17.347 -9.909 1.00 0.00 H new ATOM 0 HG SER A 29 18.989 -17.057 -11.062 1.00 0.00 H new ATOM 431 N PRO A 30 23.486 -15.310 -9.512 1.00 0.00 N ATOM 432 CA PRO A 30 24.864 -15.522 -9.039 1.00 0.00 C ATOM 433 C PRO A 30 25.330 -14.312 -8.226 1.00 0.00 C ATOM 434 O PRO A 30 26.483 -14.208 -7.859 1.00 0.00 O ATOM 435 CB PRO A 30 25.673 -15.653 -10.323 1.00 0.00 C ATOM 436 CG PRO A 30 24.887 -14.917 -11.367 1.00 0.00 C ATOM 437 CD PRO A 30 23.451 -14.841 -10.903 1.00 0.00 C ATOM 0 HA PRO A 30 24.967 -16.392 -8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 30 26.668 -15.224 -10.206 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.807 -16.699 -10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.293 -13.916 -11.515 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.951 -15.432 -12.326 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.067 -13.823 -10.969 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.803 -15.467 -11.516 1.00 0.00 H new ATOM 445 N PHE A 31 24.442 -13.392 -7.943 1.00 0.00 N ATOM 446 CA PHE A 31 24.843 -12.186 -7.155 1.00 0.00 C ATOM 447 C PHE A 31 23.667 -11.664 -6.322 1.00 0.00 C ATOM 448 O PHE A 31 22.576 -12.195 -6.360 1.00 0.00 O ATOM 449 CB PHE A 31 25.247 -11.135 -8.194 1.00 0.00 C ATOM 450 CG PHE A 31 26.366 -11.658 -9.063 1.00 0.00 C ATOM 451 CD1 PHE A 31 27.599 -11.997 -8.494 1.00 0.00 C ATOM 452 CD2 PHE A 31 26.171 -11.793 -10.444 1.00 0.00 C ATOM 453 CE1 PHE A 31 28.637 -12.473 -9.304 1.00 0.00 C ATOM 454 CE2 PHE A 31 27.210 -12.267 -11.255 1.00 0.00 C ATOM 455 CZ PHE A 31 28.443 -12.607 -10.685 1.00 0.00 C ATOM 0 H PHE A 31 23.461 -13.423 -8.222 1.00 0.00 H new ATOM 0 HA PHE A 31 25.652 -12.417 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.388 -10.877 -8.813 1.00 0.00 H new ATOM 0 HB3 PHE A 31 25.564 -10.221 -7.692 1.00 0.00 H new ATOM 0 HD1 PHE A 31 27.750 -11.891 -7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.220 -11.532 -10.883 1.00 0.00 H new ATOM 0 HE1 PHE A 31 29.587 -12.737 -8.864 1.00 0.00 H new ATOM 0 HE2 PHE A 31 27.060 -12.370 -12.320 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.244 -12.973 -11.310 1.00 0.00 H new ATOM 465 N LYS A 32 23.891 -10.615 -5.574 1.00 0.00 N ATOM 466 CA LYS A 32 22.805 -10.028 -4.733 1.00 0.00 C ATOM 467 C LYS A 32 23.013 -8.515 -4.617 1.00 0.00 C ATOM 468 O LYS A 32 24.089 -8.018 -4.859 1.00 0.00 O ATOM 469 CB LYS A 32 22.960 -10.683 -3.357 1.00 0.00 C ATOM 470 CG LYS A 32 22.808 -12.201 -3.478 1.00 0.00 C ATOM 471 CD LYS A 32 23.111 -12.844 -2.126 1.00 0.00 C ATOM 472 CE LYS A 32 22.384 -14.185 -2.023 1.00 0.00 C ATOM 473 NZ LYS A 32 22.621 -14.636 -0.624 1.00 0.00 N ATOM 0 H LYS A 32 24.789 -10.135 -5.509 1.00 0.00 H new ATOM 0 HA LYS A 32 21.815 -10.200 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 32 23.936 -10.440 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.211 -10.288 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.796 -12.453 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.487 -12.587 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.185 -12.991 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.794 -12.184 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.319 -14.075 -2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.775 -14.904 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.564 -15.673 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.565 -14.328 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.900 -14.222 0.001 1.00 0.00 H new ATOM 487 N CYS A 33 22.008 -7.773 -4.241 1.00 0.00 N ATOM 488 CA CYS A 33 22.198 -6.297 -4.113 1.00 0.00 C ATOM 489 C CYS A 33 22.681 -5.957 -2.699 1.00 0.00 C ATOM 490 O CYS A 33 21.946 -6.074 -1.739 1.00 0.00 O ATOM 491 CB CYS A 33 20.822 -5.682 -4.374 1.00 0.00 C ATOM 492 SG CYS A 33 20.967 -3.877 -4.396 1.00 0.00 S ATOM 0 H CYS A 33 21.074 -8.117 -4.019 1.00 0.00 H new ATOM 0 HA CYS A 33 22.943 -5.916 -4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 33 20.426 -6.038 -5.325 1.00 0.00 H new ATOM 0 HB3 CYS A 33 20.120 -5.992 -3.600 1.00 0.00 H new ATOM 497 N CYS A 34 23.911 -5.541 -2.562 1.00 0.00 N ATOM 498 CA CYS A 34 24.435 -5.202 -1.207 1.00 0.00 C ATOM 499 C CYS A 34 25.252 -3.910 -1.261 1.00 0.00 C ATOM 500 O CYS A 34 25.854 -3.587 -2.266 1.00 0.00 O ATOM 501 CB CYS A 34 25.329 -6.383 -0.823 1.00 0.00 C ATOM 502 SG CYS A 34 24.307 -7.855 -0.565 1.00 0.00 S ATOM 0 H CYS A 34 24.574 -5.421 -3.327 1.00 0.00 H new ATOM 0 HA CYS A 34 23.635 -5.041 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 34 26.061 -6.569 -1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 34 25.887 -6.151 0.084 1.00 0.00 H new ATOM 507 N LYS A 35 25.282 -3.168 -0.187 1.00 0.00 N ATOM 508 CA LYS A 35 26.065 -1.899 -0.178 1.00 0.00 C ATOM 509 C LYS A 35 27.000 -1.865 1.034 1.00 0.00 C ATOM 510 O LYS A 35 27.610 -2.883 1.316 1.00 0.00 O ATOM 511 CB LYS A 35 25.019 -0.788 -0.084 1.00 0.00 C ATOM 512 CG LYS A 35 24.164 -0.785 -1.354 1.00 0.00 C ATOM 513 CD LYS A 35 23.181 0.388 -1.311 1.00 0.00 C ATOM 514 CE LYS A 35 22.393 0.438 -2.621 1.00 0.00 C ATOM 515 NZ LYS A 35 21.397 1.529 -2.428 1.00 0.00 N ATOM 516 OXT LYS A 35 27.089 -0.821 1.660 1.00 0.00 O ATOM 0 H LYS A 35 24.798 -3.386 0.684 1.00 0.00 H new ATOM 0 HA LYS A 35 26.691 -1.792 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 35 24.388 -0.941 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 35 25.509 0.178 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 35 24.803 -0.705 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 35 23.620 -1.725 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.500 0.275 -0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 35 23.720 1.324 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.047 0.646 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.902 -0.514 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.518 1.289 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.197 1.641 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.780 2.419 -2.806 1.00 0.00 H new TER 530 LYS A 35