USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 490 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 42 ASN : amide:sc= -0.137 K(o=-0.55,f=-0.031) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.416 K(o=-0.55,f=-0.031) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.116 (180deg=-0.133) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.242 K(o=-0.24,f=-0.82) USER MOD Single : A 13 TYR OH : rot 3:sc= 0.726 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 15 HIS : no HD1:sc= -0.695 X(o=-0.69,f=-0.37) USER MOD Single : A 16 GLN : amide:sc= 0.53 K(o=0.53,f=-6.5!) USER MOD Single : A 18 THR OG1 : rot -78:sc= 0.108 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 27 THR OG1 : rot -58:sc= 0.111 USER MOD Single : A 28 ASN : amide:sc= -1.54 K(o=-1.5,f=-4.5!) USER MOD Single : A 33 SER OG : rot -27:sc= 0.399 USER MOD Single : A 34 CYS SG : rot -112:sc= -4.19! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 40 MET CE :methyl -135:sc= -0.0583 (180deg=-0.895) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0168 (180deg=-0.149) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 0.658 (180deg=0.151) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.074 0.095 -4.370 1.00 0.00 N ATOM 2 CA MET A 1 5.318 0.493 -5.076 1.00 0.00 C ATOM 3 C MET A 1 5.212 1.944 -5.583 1.00 0.00 C ATOM 4 O MET A 1 6.224 2.660 -5.651 1.00 0.00 O ATOM 5 CB MET A 1 5.642 -0.508 -6.232 1.00 0.00 C ATOM 6 CG MET A 1 4.596 -0.587 -7.359 1.00 0.00 C ATOM 7 SD MET A 1 4.615 0.847 -8.465 1.00 0.00 S ATOM 8 CE MET A 1 3.137 0.577 -9.437 1.00 0.00 C ATOM 0 H1 MET A 1 4.183 -0.867 -3.991 1.00 0.00 H new ATOM 0 H2 MET A 1 3.892 0.756 -3.588 1.00 0.00 H new ATOM 0 H3 MET A 1 3.275 0.117 -5.035 1.00 0.00 H new ATOM 0 HA MET A 1 6.149 0.453 -4.371 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.601 -0.231 -6.670 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.763 -1.503 -5.803 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.772 -1.490 -7.944 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.604 -0.682 -6.917 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.024 1.385 -10.159 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.217 -0.373 -9.965 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.268 0.554 -8.779 1.00 0.00 H new ATOM 18 N LYS A 2 3.980 2.382 -5.956 1.00 0.00 N ATOM 19 CA LYS A 2 3.718 3.773 -6.351 1.00 0.00 C ATOM 20 C LYS A 2 3.633 4.620 -5.073 1.00 0.00 C ATOM 21 O LYS A 2 2.573 4.732 -4.437 1.00 0.00 O ATOM 22 CB LYS A 2 2.430 3.891 -7.219 1.00 0.00 C ATOM 23 CG LYS A 2 2.173 5.312 -7.785 1.00 0.00 C ATOM 24 CD LYS A 2 0.941 5.387 -8.725 1.00 0.00 C ATOM 25 CE LYS A 2 1.087 4.497 -9.976 1.00 0.00 C ATOM 26 NZ LYS A 2 -0.079 4.616 -10.893 1.00 0.00 N ATOM 0 H LYS A 2 3.156 1.781 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 2 4.530 4.141 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.499 3.188 -8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.572 3.591 -6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.031 6.005 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.057 5.644 -8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.050 5.087 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.790 6.421 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.996 4.772 -10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.200 3.457 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.064 4.000 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.945 4.329 -10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.173 5.602 -11.209 1.00 0.00 H new ATOM 40 N ARG A 3 4.805 5.112 -4.656 1.00 0.00 N ATOM 41 CA ARG A 3 4.965 5.959 -3.465 1.00 0.00 C ATOM 42 C ARG A 3 4.448 7.375 -3.750 1.00 0.00 C ATOM 43 O ARG A 3 4.186 7.713 -4.912 1.00 0.00 O ATOM 44 CB ARG A 3 6.466 5.959 -3.062 1.00 0.00 C ATOM 45 CG ARG A 3 7.023 4.542 -2.772 1.00 0.00 C ATOM 46 CD ARG A 3 8.536 4.502 -2.532 1.00 0.00 C ATOM 47 NE ARG A 3 8.992 3.130 -2.228 1.00 0.00 N ATOM 48 CZ ARG A 3 10.272 2.740 -2.121 1.00 0.00 C ATOM 49 NH1 ARG A 3 11.267 3.584 -2.343 1.00 0.00 N ATOM 50 NH2 ARG A 3 10.548 1.486 -1.803 1.00 0.00 N ATOM 0 H ARG A 3 5.683 4.931 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 3 4.378 5.568 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.050 6.415 -3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.597 6.582 -2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.516 4.136 -1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.782 3.890 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.057 4.874 -3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.794 5.165 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 3 8.274 2.419 -2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.068 4.551 -2.601 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.233 3.268 -2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.791 0.822 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.518 1.183 -1.720 1.00 0.00 H new ATOM 64 N ALA A 4 4.307 8.189 -2.688 1.00 0.00 N ATOM 65 CA ALA A 4 3.797 9.573 -2.785 1.00 0.00 C ATOM 66 C ALA A 4 4.629 10.394 -3.784 1.00 0.00 C ATOM 67 O ALA A 4 4.075 10.966 -4.713 1.00 0.00 O ATOM 68 CB ALA A 4 3.768 10.240 -1.396 1.00 0.00 C ATOM 0 H ALA A 4 4.543 7.907 -1.737 1.00 0.00 H new ATOM 0 HA ALA A 4 2.774 9.537 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.390 11.258 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.118 9.670 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.776 10.264 -0.983 1.00 0.00 H new ATOM 74 N ALA A 5 5.965 10.353 -3.615 1.00 0.00 N ATOM 75 CA ALA A 5 6.930 11.087 -4.464 1.00 0.00 C ATOM 76 C ALA A 5 6.988 10.526 -5.896 1.00 0.00 C ATOM 77 O ALA A 5 7.230 11.279 -6.843 1.00 0.00 O ATOM 78 CB ALA A 5 8.323 11.058 -3.836 1.00 0.00 C ATOM 0 H ALA A 5 6.411 9.805 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 5 6.582 12.118 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.021 11.602 -4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.288 11.526 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.655 10.025 -3.734 1.00 0.00 H new ATOM 84 N ALA A 6 6.764 9.200 -6.033 1.00 0.00 N ATOM 85 CA ALA A 6 6.703 8.518 -7.345 1.00 0.00 C ATOM 86 C ALA A 6 5.540 9.072 -8.183 1.00 0.00 C ATOM 87 O ALA A 6 5.709 9.398 -9.363 1.00 0.00 O ATOM 88 CB ALA A 6 6.567 6.994 -7.162 1.00 0.00 C ATOM 0 H ALA A 6 6.621 8.574 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 6 7.634 8.712 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.524 6.513 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.427 6.616 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.654 6.774 -6.609 1.00 0.00 H new ATOM 94 N LYS A 7 4.373 9.208 -7.524 1.00 0.00 N ATOM 95 CA LYS A 7 3.147 9.738 -8.147 1.00 0.00 C ATOM 96 C LYS A 7 3.227 11.271 -8.303 1.00 0.00 C ATOM 97 O LYS A 7 2.597 11.831 -9.196 1.00 0.00 O ATOM 98 CB LYS A 7 1.906 9.334 -7.313 1.00 0.00 C ATOM 99 CG LYS A 7 0.547 9.602 -8.013 1.00 0.00 C ATOM 100 CD LYS A 7 -0.680 9.208 -7.149 1.00 0.00 C ATOM 101 CE LYS A 7 -0.784 10.020 -5.846 1.00 0.00 C ATOM 102 NZ LYS A 7 -1.978 9.645 -5.045 1.00 0.00 N ATOM 0 H LYS A 7 4.255 8.953 -6.544 1.00 0.00 H new ATOM 0 HA LYS A 7 3.052 9.306 -9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.974 8.273 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.927 9.876 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.479 10.660 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.514 9.048 -8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.589 9.351 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.620 8.147 -6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.115 9.864 -5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.828 11.083 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.007 10.217 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.839 9.818 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.925 8.637 -4.794 1.00 0.00 H new ATOM 116 N HIS A 8 4.006 11.936 -7.415 1.00 0.00 N ATOM 117 CA HIS A 8 4.282 13.391 -7.514 1.00 0.00 C ATOM 118 C HIS A 8 5.106 13.692 -8.768 1.00 0.00 C ATOM 119 O HIS A 8 4.920 14.726 -9.383 1.00 0.00 O ATOM 120 CB HIS A 8 5.037 13.951 -6.273 1.00 0.00 C ATOM 121 CG HIS A 8 4.249 13.966 -4.994 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.834 13.864 -3.746 1.00 0.00 N ATOM 123 CD2 HIS A 8 2.922 14.067 -4.768 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.899 13.902 -2.822 1.00 0.00 C ATOM 125 NE2 HIS A 8 2.733 14.024 -3.416 1.00 0.00 N ATOM 0 H HIS A 8 4.456 11.485 -6.618 1.00 0.00 H new ATOM 0 HA HIS A 8 3.311 13.883 -7.566 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.938 13.357 -6.118 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.360 14.969 -6.493 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.151 14.164 -5.518 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.062 13.843 -1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.831 14.078 -2.943 1.00 0.00 H new ATOM 134 N LEU A 9 6.012 12.766 -9.114 1.00 0.00 N ATOM 135 CA LEU A 9 6.908 12.884 -10.283 1.00 0.00 C ATOM 136 C LEU A 9 6.120 12.651 -11.589 1.00 0.00 C ATOM 137 O LEU A 9 6.359 13.330 -12.592 1.00 0.00 O ATOM 138 CB LEU A 9 8.115 11.892 -10.142 1.00 0.00 C ATOM 139 CG LEU A 9 9.541 12.525 -10.164 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.856 13.166 -11.533 1.00 0.00 C ATOM 141 CD2 LEU A 9 9.698 13.530 -9.003 1.00 0.00 C ATOM 0 H LEU A 9 6.148 11.903 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 9 7.315 13.894 -10.324 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.999 11.344 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.053 11.162 -10.949 1.00 0.00 H new ATOM 0 HG LEU A 9 10.273 11.730 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.857 13.597 -11.511 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.805 12.405 -12.311 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.128 13.950 -11.744 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.697 13.964 -9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.956 14.322 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.552 13.015 -8.054 1.00 0.00 H new ATOM 153 N ILE A 10 5.184 11.683 -11.543 1.00 0.00 N ATOM 154 CA ILE A 10 4.177 11.475 -12.606 1.00 0.00 C ATOM 155 C ILE A 10 3.362 12.773 -12.806 1.00 0.00 C ATOM 156 O ILE A 10 3.116 13.204 -13.933 1.00 0.00 O ATOM 157 CB ILE A 10 3.199 10.292 -12.230 1.00 0.00 C ATOM 158 CG1 ILE A 10 3.983 8.944 -12.110 1.00 0.00 C ATOM 159 CG2 ILE A 10 2.017 10.168 -13.235 1.00 0.00 C ATOM 160 CD1 ILE A 10 3.183 7.777 -11.541 1.00 0.00 C ATOM 0 H ILE A 10 5.103 11.023 -10.769 1.00 0.00 H new ATOM 0 HA ILE A 10 4.696 11.216 -13.529 1.00 0.00 H new ATOM 0 HB ILE A 10 2.764 10.524 -11.258 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.349 8.666 -13.098 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.858 9.106 -11.480 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.371 9.342 -12.937 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.443 11.095 -13.238 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.408 9.980 -14.235 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.814 6.890 -11.498 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.839 8.027 -10.537 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.323 7.580 -12.180 1.00 0.00 H new ATOM 172 N GLU A 11 2.995 13.386 -11.665 1.00 0.00 N ATOM 173 CA GLU A 11 2.205 14.620 -11.599 1.00 0.00 C ATOM 174 C GLU A 11 3.030 15.836 -12.074 1.00 0.00 C ATOM 175 O GLU A 11 2.463 16.785 -12.588 1.00 0.00 O ATOM 176 CB GLU A 11 1.700 14.838 -10.141 1.00 0.00 C ATOM 177 CG GLU A 11 0.715 16.006 -9.956 1.00 0.00 C ATOM 178 CD GLU A 11 -0.639 15.778 -10.656 1.00 0.00 C ATOM 179 OE1 GLU A 11 -0.790 16.143 -11.842 1.00 0.00 O ATOM 180 OE2 GLU A 11 -1.558 15.221 -10.022 1.00 0.00 O ATOM 0 H GLU A 11 3.248 13.025 -10.745 1.00 0.00 H new ATOM 0 HA GLU A 11 1.348 14.522 -12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.220 13.921 -9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.563 15.006 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.544 16.163 -8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.167 16.919 -10.344 1.00 0.00 H new ATOM 187 N ARG A 12 4.372 15.785 -11.894 1.00 0.00 N ATOM 188 CA ARG A 12 5.300 16.844 -12.366 1.00 0.00 C ATOM 189 C ARG A 12 5.316 16.888 -13.895 1.00 0.00 C ATOM 190 O ARG A 12 5.281 17.968 -14.490 1.00 0.00 O ATOM 191 CB ARG A 12 6.746 16.623 -11.817 1.00 0.00 C ATOM 192 CG ARG A 12 6.928 16.934 -10.314 1.00 0.00 C ATOM 193 CD ARG A 12 6.705 18.415 -9.986 1.00 0.00 C ATOM 194 NE ARG A 12 6.751 18.658 -8.530 1.00 0.00 N ATOM 195 CZ ARG A 12 7.443 19.629 -7.918 1.00 0.00 C ATOM 196 NH1 ARG A 12 8.322 20.368 -8.584 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.286 19.824 -6.615 1.00 0.00 N ATOM 0 H ARG A 12 4.841 15.013 -11.420 1.00 0.00 H new ATOM 0 HA ARG A 12 4.940 17.799 -11.984 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.032 15.586 -11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.434 17.246 -12.388 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.231 16.329 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.933 16.645 -10.006 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.467 19.017 -10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.740 18.735 -10.379 1.00 0.00 H new ATOM 0 HE ARG A 12 6.207 18.031 -7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.480 20.201 -9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.840 21.103 -8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.642 19.237 -6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.810 20.561 -6.143 1.00 0.00 H new ATOM 211 N TYR A 13 5.367 15.693 -14.512 1.00 0.00 N ATOM 212 CA TYR A 13 5.320 15.551 -15.976 1.00 0.00 C ATOM 213 C TYR A 13 3.928 15.897 -16.521 1.00 0.00 C ATOM 214 O TYR A 13 3.831 16.589 -17.517 1.00 0.00 O ATOM 215 CB TYR A 13 5.754 14.132 -16.420 1.00 0.00 C ATOM 216 CG TYR A 13 7.278 13.896 -16.353 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.129 14.441 -17.324 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.865 13.131 -15.343 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.495 14.219 -17.291 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.228 12.915 -15.308 1.00 0.00 C ATOM 221 CZ TYR A 13 10.034 13.458 -16.282 1.00 0.00 C ATOM 222 OH TYR A 13 11.386 13.228 -16.254 1.00 0.00 O ATOM 0 H TYR A 13 5.441 14.806 -14.013 1.00 0.00 H new ATOM 0 HA TYR A 13 6.031 16.261 -16.398 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.254 13.396 -15.791 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.414 13.961 -17.442 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.711 15.047 -18.114 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.241 12.700 -14.574 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.133 14.641 -18.053 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.661 12.321 -14.517 1.00 0.00 H new ATOM 0 HH TYR A 13 11.816 13.714 -16.989 1.00 0.00 H new ATOM 232 N TYR A 14 2.867 15.448 -15.833 1.00 0.00 N ATOM 233 CA TYR A 14 1.461 15.743 -16.216 1.00 0.00 C ATOM 234 C TYR A 14 1.214 17.264 -16.225 1.00 0.00 C ATOM 235 O TYR A 14 0.640 17.814 -17.168 1.00 0.00 O ATOM 236 CB TYR A 14 0.476 15.040 -15.237 1.00 0.00 C ATOM 237 CG TYR A 14 -1.010 15.245 -15.587 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.617 14.501 -16.597 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.803 16.181 -14.912 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.944 14.684 -16.921 1.00 0.00 C ATOM 241 CE2 TYR A 14 -3.127 16.365 -15.234 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.693 15.613 -16.236 1.00 0.00 C ATOM 243 OH TYR A 14 -5.015 15.787 -16.552 1.00 0.00 O ATOM 0 H TYR A 14 2.950 14.871 -14.996 1.00 0.00 H new ATOM 0 HA TYR A 14 1.287 15.358 -17.221 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.692 13.972 -15.226 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.656 15.412 -14.228 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.036 13.767 -17.136 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.365 16.772 -14.121 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.395 14.100 -17.710 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.719 17.096 -14.703 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.401 16.479 -15.975 1.00 0.00 H new ATOM 253 N HIS A 15 1.706 17.908 -15.162 1.00 0.00 N ATOM 254 CA HIS A 15 1.644 19.366 -14.958 1.00 0.00 C ATOM 255 C HIS A 15 2.532 20.084 -15.981 1.00 0.00 C ATOM 256 O HIS A 15 2.299 21.240 -16.307 1.00 0.00 O ATOM 257 CB HIS A 15 2.096 19.693 -13.510 1.00 0.00 C ATOM 258 CG HIS A 15 1.886 21.116 -13.057 1.00 0.00 C ATOM 259 ND1 HIS A 15 0.729 21.536 -12.445 1.00 0.00 N ATOM 260 CD2 HIS A 15 2.711 22.187 -13.056 1.00 0.00 C ATOM 261 CE1 HIS A 15 0.850 22.791 -12.080 1.00 0.00 C ATOM 262 NE2 HIS A 15 2.041 23.207 -12.444 1.00 0.00 N ATOM 0 H HIS A 15 2.172 17.420 -14.397 1.00 0.00 H new ATOM 0 HA HIS A 15 0.621 19.714 -15.101 1.00 0.00 H new ATOM 0 HB2 HIS A 15 1.563 19.033 -12.826 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.156 19.457 -13.419 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.711 22.228 -13.462 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.101 23.379 -11.570 1.00 0.00 H new ATOM 0 HE2 HIS A 15 2.409 24.146 -12.293 1.00 0.00 H new ATOM 271 N GLN A 16 3.576 19.389 -16.455 1.00 0.00 N ATOM 272 CA GLN A 16 4.475 19.908 -17.489 1.00 0.00 C ATOM 273 C GLN A 16 3.799 19.867 -18.880 1.00 0.00 C ATOM 274 O GLN A 16 3.962 20.800 -19.655 1.00 0.00 O ATOM 275 CB GLN A 16 5.821 19.138 -17.470 1.00 0.00 C ATOM 276 CG GLN A 16 6.817 19.558 -18.554 1.00 0.00 C ATOM 277 CD GLN A 16 8.204 18.942 -18.390 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.084 19.541 -17.773 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.404 17.746 -18.931 1.00 0.00 N ATOM 0 H GLN A 16 3.818 18.453 -16.131 1.00 0.00 H new ATOM 0 HA GLN A 16 4.693 20.954 -17.273 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.288 19.275 -16.495 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.616 18.073 -17.578 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.418 19.277 -19.529 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.909 20.644 -18.548 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.649 17.282 -19.435 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.313 17.292 -18.842 1.00 0.00 H new ATOM 288 N LEU A 17 3.017 18.805 -19.181 1.00 0.00 N ATOM 289 CA LEU A 17 2.297 18.693 -20.478 1.00 0.00 C ATOM 290 C LEU A 17 1.061 19.626 -20.531 1.00 0.00 C ATOM 291 O LEU A 17 0.618 19.995 -21.623 1.00 0.00 O ATOM 292 CB LEU A 17 1.859 17.217 -20.799 1.00 0.00 C ATOM 293 CG LEU A 17 2.939 16.233 -21.396 1.00 0.00 C ATOM 294 CD1 LEU A 17 3.782 16.900 -22.507 1.00 0.00 C ATOM 295 CD2 LEU A 17 3.834 15.599 -20.316 1.00 0.00 C ATOM 0 H LEU A 17 2.867 18.017 -18.551 1.00 0.00 H new ATOM 0 HA LEU A 17 3.010 19.007 -21.240 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.478 16.775 -19.878 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.025 17.262 -21.500 1.00 0.00 H new ATOM 0 HG LEU A 17 2.378 15.418 -21.854 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.512 16.186 -22.888 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.128 17.218 -23.319 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.302 17.767 -22.099 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.556 14.933 -20.787 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.363 16.384 -19.775 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.217 15.031 -19.620 1.00 0.00 H new ATOM 307 N THR A 18 0.498 19.980 -19.360 1.00 0.00 N ATOM 308 CA THR A 18 -0.701 20.841 -19.283 1.00 0.00 C ATOM 309 C THR A 18 -0.310 22.326 -19.120 1.00 0.00 C ATOM 310 O THR A 18 -0.684 23.168 -19.942 1.00 0.00 O ATOM 311 CB THR A 18 -1.641 20.387 -18.113 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.904 20.356 -16.876 1.00 0.00 O ATOM 313 CG2 THR A 18 -2.254 18.993 -18.375 1.00 0.00 C ATOM 0 H THR A 18 0.854 19.683 -18.452 1.00 0.00 H new ATOM 0 HA THR A 18 -1.246 20.736 -20.221 1.00 0.00 H new ATOM 0 HB THR A 18 -2.455 21.109 -18.048 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.359 19.542 -16.840 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.898 18.716 -17.541 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.841 19.020 -19.293 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.456 18.258 -18.476 1.00 0.00 H new ATOM 321 N GLU A 19 0.457 22.632 -18.057 1.00 0.00 N ATOM 322 CA GLU A 19 0.857 24.011 -17.707 1.00 0.00 C ATOM 323 C GLU A 19 2.194 24.360 -18.373 1.00 0.00 C ATOM 324 O GLU A 19 2.266 25.264 -19.211 1.00 0.00 O ATOM 325 CB GLU A 19 0.969 24.158 -16.163 1.00 0.00 C ATOM 326 CG GLU A 19 -0.266 23.675 -15.379 1.00 0.00 C ATOM 327 CD GLU A 19 -1.564 24.392 -15.776 1.00 0.00 C ATOM 328 OE1 GLU A 19 -1.773 25.539 -15.338 1.00 0.00 O ATOM 329 OE2 GLU A 19 -2.375 23.820 -16.532 1.00 0.00 O ATOM 0 H GLU A 19 0.819 21.928 -17.413 1.00 0.00 H new ATOM 0 HA GLU A 19 0.096 24.702 -18.071 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.841 23.600 -15.821 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.147 25.206 -15.923 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.390 22.604 -15.536 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.090 23.823 -14.313 1.00 0.00 H new ATOM 336 N GLY A 20 3.246 23.605 -17.999 1.00 0.00 N ATOM 337 CA GLY A 20 4.609 23.815 -18.498 1.00 0.00 C ATOM 338 C GLY A 20 5.590 24.068 -17.360 1.00 0.00 C ATOM 339 O GLY A 20 5.817 23.180 -16.528 1.00 0.00 O ATOM 0 H GLY A 20 3.168 22.831 -17.340 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.928 22.941 -19.066 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.620 24.662 -19.184 1.00 0.00 H new ATOM 343 N CYS A 21 6.177 25.286 -17.321 1.00 0.00 N ATOM 344 CA CYS A 21 7.135 25.693 -16.257 1.00 0.00 C ATOM 345 C CYS A 21 7.237 27.221 -16.071 1.00 0.00 C ATOM 346 O CYS A 21 7.988 27.679 -15.200 1.00 0.00 O ATOM 347 CB CYS A 21 8.534 25.126 -16.582 1.00 0.00 C ATOM 348 SG CYS A 21 9.160 25.568 -18.238 1.00 0.00 S ATOM 0 H CYS A 21 6.005 26.011 -18.017 1.00 0.00 H new ATOM 0 HA CYS A 21 6.753 25.286 -15.321 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.240 25.483 -15.833 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.501 24.040 -16.497 1.00 0.00 H new ATOM 353 N GLY A 22 6.493 28.008 -16.872 1.00 0.00 N ATOM 354 CA GLY A 22 6.485 29.476 -16.766 1.00 0.00 C ATOM 355 C GLY A 22 7.625 30.161 -17.510 1.00 0.00 C ATOM 356 O GLY A 22 7.450 31.284 -18.000 1.00 0.00 O ATOM 0 H GLY A 22 5.885 27.645 -17.606 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.537 29.852 -17.151 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.534 29.754 -15.713 1.00 0.00 H new ATOM 360 N ASN A 23 8.809 29.506 -17.550 1.00 0.00 N ATOM 361 CA ASN A 23 10.000 30.005 -18.266 1.00 0.00 C ATOM 362 C ASN A 23 9.693 30.202 -19.769 1.00 0.00 C ATOM 363 O ASN A 23 9.168 29.280 -20.425 1.00 0.00 O ATOM 364 CB ASN A 23 11.196 29.021 -18.077 1.00 0.00 C ATOM 365 CG ASN A 23 12.507 29.484 -18.748 1.00 0.00 C ATOM 366 OD1 ASN A 23 12.782 30.684 -18.869 1.00 0.00 O ATOM 367 ND2 ASN A 23 13.326 28.536 -19.179 1.00 0.00 N ATOM 0 H ASN A 23 8.962 28.612 -17.083 1.00 0.00 H new ATOM 0 HA ASN A 23 10.274 30.972 -17.845 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.375 28.885 -17.010 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.918 28.047 -18.481 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.209 28.788 -19.624 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.074 27.554 -19.066 1.00 0.00 H new ATOM 374 N GLU A 24 10.018 31.413 -20.279 1.00 0.00 N ATOM 375 CA GLU A 24 9.747 31.825 -21.665 1.00 0.00 C ATOM 376 C GLU A 24 10.466 30.904 -22.670 1.00 0.00 C ATOM 377 O GLU A 24 9.816 30.088 -23.343 1.00 0.00 O ATOM 378 CB GLU A 24 10.174 33.317 -21.863 1.00 0.00 C ATOM 379 CG GLU A 24 10.072 33.854 -23.312 1.00 0.00 C ATOM 380 CD GLU A 24 8.653 33.771 -23.900 1.00 0.00 C ATOM 381 OE1 GLU A 24 7.812 34.633 -23.560 1.00 0.00 O ATOM 382 OE2 GLU A 24 8.367 32.851 -24.698 1.00 0.00 O ATOM 0 H GLU A 24 10.481 32.136 -19.728 1.00 0.00 H new ATOM 0 HA GLU A 24 8.677 31.737 -21.854 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.556 33.942 -21.218 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.204 33.430 -21.524 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.404 34.892 -23.330 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.754 33.290 -23.949 1.00 0.00 H new ATOM 389 N ALA A 25 11.807 31.029 -22.751 1.00 0.00 N ATOM 390 CA ALA A 25 12.620 30.236 -23.680 1.00 0.00 C ATOM 391 C ALA A 25 12.892 28.858 -23.078 1.00 0.00 C ATOM 392 O ALA A 25 13.907 28.636 -22.417 1.00 0.00 O ATOM 393 CB ALA A 25 13.912 30.974 -24.043 1.00 0.00 C ATOM 0 H ALA A 25 12.347 31.677 -22.178 1.00 0.00 H new ATOM 0 HA ALA A 25 12.070 30.094 -24.610 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.497 30.366 -24.733 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.667 31.925 -24.516 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.493 31.157 -23.139 1.00 0.00 H new ATOM 399 N CYS A 26 11.923 27.959 -23.244 1.00 0.00 N ATOM 400 CA CYS A 26 12.039 26.567 -22.819 1.00 0.00 C ATOM 401 C CYS A 26 12.132 25.662 -24.057 1.00 0.00 C ATOM 402 O CYS A 26 11.149 25.493 -24.777 1.00 0.00 O ATOM 403 CB CYS A 26 10.841 26.167 -21.939 1.00 0.00 C ATOM 404 SG CYS A 26 10.851 24.401 -21.520 1.00 0.00 S ATOM 0 H CYS A 26 11.028 28.179 -23.681 1.00 0.00 H new ATOM 0 HA CYS A 26 12.944 26.448 -22.223 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.855 26.756 -21.022 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.914 26.409 -22.459 1.00 0.00 H new ATOM 409 N THR A 27 13.327 25.104 -24.310 1.00 0.00 N ATOM 410 CA THR A 27 13.585 24.245 -25.478 1.00 0.00 C ATOM 411 C THR A 27 13.300 22.760 -25.129 1.00 0.00 C ATOM 412 O THR A 27 14.183 21.889 -25.172 1.00 0.00 O ATOM 413 CB THR A 27 15.047 24.471 -26.015 1.00 0.00 C ATOM 414 OG1 THR A 27 15.305 23.645 -27.168 1.00 0.00 O ATOM 415 CG2 THR A 27 16.133 24.231 -24.942 1.00 0.00 C ATOM 0 H THR A 27 14.142 25.236 -23.711 1.00 0.00 H new ATOM 0 HA THR A 27 12.905 24.519 -26.285 1.00 0.00 H new ATOM 0 HB THR A 27 15.104 25.522 -26.299 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.175 22.703 -26.931 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.118 24.403 -25.376 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.979 24.916 -24.109 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.069 23.204 -24.583 1.00 0.00 H new ATOM 423 N ASN A 28 12.033 22.477 -24.776 1.00 0.00 N ATOM 424 CA ASN A 28 11.578 21.116 -24.463 1.00 0.00 C ATOM 425 C ASN A 28 10.183 20.882 -25.076 1.00 0.00 C ATOM 426 O ASN A 28 9.186 21.446 -24.618 1.00 0.00 O ATOM 427 CB ASN A 28 11.571 20.881 -22.928 1.00 0.00 C ATOM 428 CG ASN A 28 11.180 19.454 -22.530 1.00 0.00 C ATOM 429 OD1 ASN A 28 11.374 18.502 -23.282 1.00 0.00 O ATOM 430 ND2 ASN A 28 10.655 19.292 -21.326 1.00 0.00 N ATOM 0 H ASN A 28 11.301 23.184 -24.701 1.00 0.00 H new ATOM 0 HA ASN A 28 12.270 20.396 -24.899 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.561 21.102 -22.530 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.877 21.582 -22.464 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.401 18.359 -21.002 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.505 20.100 -20.722 1.00 0.00 H new ATOM 437 N GLU A 29 10.154 20.053 -26.127 1.00 0.00 N ATOM 438 CA GLU A 29 8.919 19.597 -26.814 1.00 0.00 C ATOM 439 C GLU A 29 8.003 18.777 -25.881 1.00 0.00 C ATOM 440 O GLU A 29 6.798 18.668 -26.127 1.00 0.00 O ATOM 441 CB GLU A 29 9.260 18.769 -28.097 1.00 0.00 C ATOM 442 CG GLU A 29 10.140 17.501 -27.900 1.00 0.00 C ATOM 443 CD GLU A 29 11.636 17.810 -27.655 1.00 0.00 C ATOM 444 OE1 GLU A 29 12.368 18.056 -28.639 1.00 0.00 O ATOM 445 OE2 GLU A 29 12.074 17.842 -26.480 1.00 0.00 O ATOM 0 H GLU A 29 11.003 19.667 -26.540 1.00 0.00 H new ATOM 0 HA GLU A 29 8.376 20.495 -27.108 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.323 18.463 -28.563 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.767 19.428 -28.802 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.754 16.930 -27.056 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.049 16.867 -28.782 1.00 0.00 H new ATOM 452 N PHE A 30 8.588 18.223 -24.804 1.00 0.00 N ATOM 453 CA PHE A 30 7.862 17.452 -23.769 1.00 0.00 C ATOM 454 C PHE A 30 7.318 18.380 -22.654 1.00 0.00 C ATOM 455 O PHE A 30 7.059 17.926 -21.530 1.00 0.00 O ATOM 456 CB PHE A 30 8.824 16.390 -23.166 1.00 0.00 C ATOM 457 CG PHE A 30 9.430 15.442 -24.204 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.617 14.588 -24.953 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.809 15.406 -24.432 1.00 0.00 C ATOM 460 CE1 PHE A 30 9.163 13.730 -25.893 1.00 0.00 C ATOM 461 CE2 PHE A 30 11.350 14.550 -25.371 1.00 0.00 C ATOM 462 CZ PHE A 30 10.530 13.710 -26.101 1.00 0.00 C ATOM 0 H PHE A 30 9.589 18.297 -24.622 1.00 0.00 H new ATOM 0 HA PHE A 30 7.006 16.959 -24.230 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.631 16.901 -22.641 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.282 15.803 -22.424 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.548 14.597 -24.797 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.460 16.056 -23.866 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.521 13.076 -26.464 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.417 14.537 -25.536 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.956 13.039 -26.832 1.00 0.00 H new ATOM 472 N CYS A 31 7.098 19.666 -22.986 1.00 0.00 N ATOM 473 CA CYS A 31 6.757 20.706 -22.002 1.00 0.00 C ATOM 474 C CYS A 31 5.844 21.748 -22.638 1.00 0.00 C ATOM 475 O CYS A 31 6.113 22.174 -23.752 1.00 0.00 O ATOM 476 CB CYS A 31 8.042 21.392 -21.524 1.00 0.00 C ATOM 477 SG CYS A 31 7.812 22.586 -20.182 1.00 0.00 S ATOM 0 H CYS A 31 7.152 20.011 -23.944 1.00 0.00 H new ATOM 0 HA CYS A 31 6.244 20.244 -21.159 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.744 20.627 -21.194 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.501 21.902 -22.371 1.00 0.00 H new ATOM 482 N ALA A 32 4.817 22.201 -21.903 1.00 0.00 N ATOM 483 CA ALA A 32 3.805 23.143 -22.414 1.00 0.00 C ATOM 484 C ALA A 32 4.321 24.584 -22.338 1.00 0.00 C ATOM 485 O ALA A 32 5.265 24.875 -21.584 1.00 0.00 O ATOM 486 CB ALA A 32 2.475 22.968 -21.661 1.00 0.00 C ATOM 0 H ALA A 32 4.663 21.924 -20.933 1.00 0.00 H new ATOM 0 HA ALA A 32 3.617 22.921 -23.464 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.740 23.672 -22.052 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.111 21.950 -21.798 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.630 23.158 -20.599 1.00 0.00 H new ATOM 492 N SER A 33 3.726 25.451 -23.191 1.00 0.00 N ATOM 493 CA SER A 33 4.131 26.865 -23.383 1.00 0.00 C ATOM 494 C SER A 33 5.514 26.975 -24.091 1.00 0.00 C ATOM 495 O SER A 33 6.037 28.080 -24.269 1.00 0.00 O ATOM 496 CB SER A 33 4.100 27.659 -22.037 1.00 0.00 C ATOM 497 OG SER A 33 4.305 29.047 -22.230 1.00 0.00 O ATOM 0 H SER A 33 2.935 25.182 -23.777 1.00 0.00 H new ATOM 0 HA SER A 33 3.397 27.327 -24.044 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.140 27.500 -21.545 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.868 27.269 -21.369 1.00 0.00 H new ATOM 0 HG SER A 33 4.839 29.189 -23.039 1.00 0.00 H new ATOM 503 N CYS A 34 6.090 25.825 -24.511 1.00 0.00 N ATOM 504 CA CYS A 34 7.358 25.774 -25.254 1.00 0.00 C ATOM 505 C CYS A 34 7.089 25.883 -26.775 1.00 0.00 C ATOM 506 O CYS A 34 6.025 25.441 -27.239 1.00 0.00 O ATOM 507 CB CYS A 34 8.072 24.464 -24.899 1.00 0.00 C ATOM 508 SG CYS A 34 8.311 24.256 -23.125 1.00 0.00 S ATOM 0 H CYS A 34 5.682 24.906 -24.340 1.00 0.00 H new ATOM 0 HA CYS A 34 7.997 26.613 -24.979 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.493 23.624 -25.284 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.041 24.438 -25.397 1.00 0.00 H new ATOM 0 HG CYS A 34 9.578 24.333 -22.846 1.00 0.00 H new ATOM 514 N PRO A 35 8.047 26.460 -27.579 1.00 0.00 N ATOM 515 CA PRO A 35 7.850 26.682 -29.036 1.00 0.00 C ATOM 516 C PRO A 35 7.713 25.362 -29.822 1.00 0.00 C ATOM 517 O PRO A 35 6.968 25.283 -30.795 1.00 0.00 O ATOM 518 CB PRO A 35 9.127 27.470 -29.446 1.00 0.00 C ATOM 519 CG PRO A 35 10.158 27.069 -28.434 1.00 0.00 C ATOM 520 CD PRO A 35 9.395 26.928 -27.140 1.00 0.00 C ATOM 0 HA PRO A 35 6.925 27.215 -29.257 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.443 27.214 -30.457 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.952 28.546 -29.429 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.642 26.132 -28.712 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.943 27.820 -28.350 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.870 26.211 -26.470 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.336 27.875 -26.604 1.00 0.00 H new ATOM 528 N THR A 36 8.413 24.325 -29.348 1.00 0.00 N ATOM 529 CA THR A 36 8.460 22.997 -29.982 1.00 0.00 C ATOM 530 C THR A 36 7.328 22.063 -29.491 1.00 0.00 C ATOM 531 O THR A 36 7.265 20.892 -29.885 1.00 0.00 O ATOM 532 CB THR A 36 9.855 22.356 -29.705 1.00 0.00 C ATOM 533 OG1 THR A 36 10.147 22.434 -28.294 1.00 0.00 O ATOM 534 CG2 THR A 36 10.973 23.064 -30.494 1.00 0.00 C ATOM 0 H THR A 36 8.974 24.383 -28.498 1.00 0.00 H new ATOM 0 HA THR A 36 8.309 23.127 -31.054 1.00 0.00 H new ATOM 0 HB THR A 36 9.817 21.316 -30.029 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.022 22.030 -28.118 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.930 22.589 -30.275 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.767 22.990 -31.562 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.014 24.114 -30.204 1.00 0.00 H new ATOM 542 N PHE A 37 6.423 22.595 -28.650 1.00 0.00 N ATOM 543 CA PHE A 37 5.303 21.828 -28.073 1.00 0.00 C ATOM 544 C PHE A 37 4.027 22.006 -28.908 1.00 0.00 C ATOM 545 O PHE A 37 3.605 23.143 -29.160 1.00 0.00 O ATOM 546 CB PHE A 37 5.044 22.295 -26.623 1.00 0.00 C ATOM 547 CG PHE A 37 3.849 21.624 -25.927 1.00 0.00 C ATOM 548 CD1 PHE A 37 3.947 20.320 -25.439 1.00 0.00 C ATOM 549 CD2 PHE A 37 2.641 22.307 -25.746 1.00 0.00 C ATOM 550 CE1 PHE A 37 2.878 19.721 -24.803 1.00 0.00 C ATOM 551 CE2 PHE A 37 1.578 21.707 -25.108 1.00 0.00 C ATOM 552 CZ PHE A 37 1.696 20.416 -24.632 1.00 0.00 C ATOM 0 H PHE A 37 6.447 23.570 -28.351 1.00 0.00 H new ATOM 0 HA PHE A 37 5.573 20.772 -28.077 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.941 22.109 -26.032 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.884 23.373 -26.628 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.870 19.773 -25.560 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.541 23.318 -26.112 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.966 18.708 -24.439 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.651 22.247 -24.980 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.864 19.949 -24.126 1.00 0.00 H new ATOM 562 N LEU A 38 3.418 20.881 -29.316 1.00 0.00 N ATOM 563 CA LEU A 38 2.046 20.857 -29.851 1.00 0.00 C ATOM 564 C LEU A 38 1.092 20.480 -28.701 1.00 0.00 C ATOM 565 O LEU A 38 1.431 19.616 -27.881 1.00 0.00 O ATOM 566 CB LEU A 38 1.916 19.828 -31.004 1.00 0.00 C ATOM 567 CG LEU A 38 0.522 19.818 -31.723 1.00 0.00 C ATOM 568 CD1 LEU A 38 0.304 21.107 -32.559 1.00 0.00 C ATOM 569 CD2 LEU A 38 0.328 18.542 -32.572 1.00 0.00 C ATOM 0 H LEU A 38 3.862 19.963 -29.285 1.00 0.00 H new ATOM 0 HA LEU A 38 1.794 21.838 -30.254 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.689 20.033 -31.744 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.111 18.832 -30.607 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.244 19.804 -30.948 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.672 21.066 -33.043 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.348 21.977 -31.904 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.083 21.185 -33.318 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.649 18.571 -33.055 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.107 18.489 -33.333 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.389 17.664 -31.929 1.00 0.00 H new ATOM 581 N ARG A 39 -0.086 21.130 -28.640 1.00 0.00 N ATOM 582 CA ARG A 39 -1.052 20.924 -27.539 1.00 0.00 C ATOM 583 C ARG A 39 -1.717 19.539 -27.627 1.00 0.00 C ATOM 584 O ARG A 39 -1.871 18.957 -28.710 1.00 0.00 O ATOM 585 CB ARG A 39 -2.122 22.061 -27.474 1.00 0.00 C ATOM 586 CG ARG A 39 -1.630 23.395 -26.857 1.00 0.00 C ATOM 587 CD ARG A 39 -0.498 24.052 -27.657 1.00 0.00 C ATOM 588 NE ARG A 39 -0.905 24.320 -29.050 1.00 0.00 N ATOM 589 CZ ARG A 39 -0.084 24.415 -30.113 1.00 0.00 C ATOM 590 NH1 ARG A 39 1.233 24.304 -29.994 1.00 0.00 N ATOM 591 NH2 ARG A 39 -0.608 24.651 -31.298 1.00 0.00 N ATOM 0 H ARG A 39 -0.394 21.804 -29.341 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.485 20.965 -26.609 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.482 22.257 -28.484 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.974 21.704 -26.895 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.469 24.088 -26.791 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.287 23.212 -25.839 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.206 24.986 -27.176 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.377 23.403 -27.651 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.902 24.445 -29.224 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.650 24.142 -29.078 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.828 24.381 -30.819 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.618 24.758 -31.397 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.004 24.727 -32.117 1.00 0.00 H new ATOM 605 N MET A 40 -2.125 19.055 -26.453 1.00 0.00 N ATOM 606 CA MET A 40 -2.575 17.676 -26.228 1.00 0.00 C ATOM 607 C MET A 40 -3.518 17.659 -25.018 1.00 0.00 C ATOM 608 O MET A 40 -3.346 18.458 -24.087 1.00 0.00 O ATOM 609 CB MET A 40 -1.328 16.765 -26.007 1.00 0.00 C ATOM 610 CG MET A 40 -0.306 17.326 -24.992 1.00 0.00 C ATOM 611 SD MET A 40 1.269 16.437 -25.001 1.00 0.00 S ATOM 612 CE MET A 40 0.769 14.786 -24.544 1.00 0.00 C ATOM 0 H MET A 40 -2.153 19.625 -25.608 1.00 0.00 H new ATOM 0 HA MET A 40 -3.120 17.294 -27.091 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.663 15.786 -25.665 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.828 16.614 -26.964 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.123 18.378 -25.214 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.735 17.281 -23.991 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.455 14.393 -23.793 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.241 14.812 -24.135 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.788 14.143 -25.424 1.00 0.00 H new ATOM 622 N ASP A 41 -4.513 16.753 -25.043 1.00 0.00 N ATOM 623 CA ASP A 41 -5.576 16.694 -24.016 1.00 0.00 C ATOM 624 C ASP A 41 -5.067 16.027 -22.724 1.00 0.00 C ATOM 625 O ASP A 41 -3.924 15.580 -22.665 1.00 0.00 O ATOM 626 CB ASP A 41 -6.830 15.953 -24.563 1.00 0.00 C ATOM 627 CG ASP A 41 -6.705 14.417 -24.556 1.00 0.00 C ATOM 628 OD1 ASP A 41 -5.834 13.873 -25.248 1.00 0.00 O ATOM 629 OD2 ASP A 41 -7.482 13.754 -23.856 1.00 0.00 O ATOM 0 H ASP A 41 -4.605 16.044 -25.770 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.862 17.717 -23.772 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.697 16.239 -23.967 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.020 16.287 -25.583 1.00 0.00 H new ATOM 634 N ASN A 42 -5.942 15.954 -21.707 1.00 0.00 N ATOM 635 CA ASN A 42 -5.599 15.427 -20.371 1.00 0.00 C ATOM 636 C ASN A 42 -5.259 13.921 -20.392 1.00 0.00 C ATOM 637 O ASN A 42 -4.417 13.480 -19.613 1.00 0.00 O ATOM 638 CB ASN A 42 -6.747 15.716 -19.369 1.00 0.00 C ATOM 639 CG ASN A 42 -8.075 15.034 -19.729 1.00 0.00 C ATOM 640 OD1 ASN A 42 -8.347 13.908 -19.312 1.00 0.00 O ATOM 641 ND2 ASN A 42 -8.905 15.711 -20.502 1.00 0.00 N ATOM 0 H ASN A 42 -6.912 16.260 -21.787 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.697 15.945 -20.045 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.440 15.389 -18.376 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.906 16.793 -19.315 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.801 15.303 -20.770 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.650 16.642 -20.831 1.00 0.00 H new ATOM 648 N ASN A 43 -5.909 13.149 -21.288 1.00 0.00 N ATOM 649 CA ASN A 43 -5.663 11.693 -21.423 1.00 0.00 C ATOM 650 C ASN A 43 -4.292 11.443 -22.064 1.00 0.00 C ATOM 651 O ASN A 43 -3.527 10.608 -21.580 1.00 0.00 O ATOM 652 CB ASN A 43 -6.774 10.984 -22.254 1.00 0.00 C ATOM 653 CG ASN A 43 -8.194 11.114 -21.675 1.00 0.00 C ATOM 654 OD1 ASN A 43 -9.171 11.122 -22.415 1.00 0.00 O ATOM 655 ND2 ASN A 43 -8.330 11.184 -20.359 1.00 0.00 N ATOM 0 H ASN A 43 -6.612 13.510 -21.933 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.680 11.268 -20.419 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.770 11.393 -23.264 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.526 9.926 -22.338 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.260 11.246 -19.945 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.505 11.176 -19.760 1.00 0.00 H new ATOM 662 N ALA A 44 -3.990 12.190 -23.149 1.00 0.00 N ATOM 663 CA ALA A 44 -2.679 12.124 -23.827 1.00 0.00 C ATOM 664 C ALA A 44 -1.556 12.591 -22.886 1.00 0.00 C ATOM 665 O ALA A 44 -0.474 12.015 -22.884 1.00 0.00 O ATOM 666 CB ALA A 44 -2.690 12.952 -25.122 1.00 0.00 C ATOM 0 H ALA A 44 -4.642 12.849 -23.575 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.487 11.085 -24.094 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.714 12.888 -25.603 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.453 12.563 -25.796 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.911 13.993 -24.886 1.00 0.00 H new ATOM 672 N ALA A 45 -1.857 13.626 -22.074 1.00 0.00 N ATOM 673 CA ALA A 45 -0.923 14.195 -21.081 1.00 0.00 C ATOM 674 C ALA A 45 -0.655 13.203 -19.941 1.00 0.00 C ATOM 675 O ALA A 45 0.439 13.183 -19.389 1.00 0.00 O ATOM 676 CB ALA A 45 -1.476 15.520 -20.527 1.00 0.00 C ATOM 0 H ALA A 45 -2.763 14.094 -22.090 1.00 0.00 H new ATOM 0 HA ALA A 45 0.025 14.393 -21.581 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.778 15.928 -19.796 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.604 16.231 -21.344 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.439 15.341 -20.048 1.00 0.00 H new ATOM 682 N ALA A 46 -1.677 12.387 -19.605 1.00 0.00 N ATOM 683 CA ALA A 46 -1.588 11.362 -18.545 1.00 0.00 C ATOM 684 C ALA A 46 -0.678 10.202 -18.970 1.00 0.00 C ATOM 685 O ALA A 46 0.236 9.818 -18.235 1.00 0.00 O ATOM 686 CB ALA A 46 -2.994 10.854 -18.175 1.00 0.00 C ATOM 0 H ALA A 46 -2.588 12.421 -20.062 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.143 11.821 -17.662 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.914 10.099 -17.393 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.599 11.687 -17.815 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.466 10.416 -19.055 1.00 0.00 H new ATOM 692 N ILE A 47 -0.933 9.668 -20.180 1.00 0.00 N ATOM 693 CA ILE A 47 -0.132 8.575 -20.767 1.00 0.00 C ATOM 694 C ILE A 47 1.323 9.037 -20.946 1.00 0.00 C ATOM 695 O ILE A 47 2.252 8.340 -20.536 1.00 0.00 O ATOM 696 CB ILE A 47 -0.724 8.095 -22.151 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.221 7.645 -21.995 1.00 0.00 C ATOM 698 CG2 ILE A 47 0.138 6.961 -22.787 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.453 6.474 -21.040 1.00 0.00 C ATOM 0 H ILE A 47 -1.698 9.981 -20.777 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.166 7.727 -20.083 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.693 8.946 -22.832 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.805 8.497 -21.648 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.606 7.373 -22.978 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.302 6.659 -23.737 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.151 7.326 -22.956 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.168 6.105 -22.113 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.517 6.241 -21.002 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.903 5.602 -21.393 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.105 6.743 -20.043 1.00 0.00 H new ATOM 711 N LYS A 48 1.486 10.255 -21.499 1.00 0.00 N ATOM 712 CA LYS A 48 2.808 10.854 -21.766 1.00 0.00 C ATOM 713 C LYS A 48 3.561 11.124 -20.449 1.00 0.00 C ATOM 714 O LYS A 48 4.771 11.028 -20.414 1.00 0.00 O ATOM 715 CB LYS A 48 2.652 12.168 -22.588 1.00 0.00 C ATOM 716 CG LYS A 48 3.933 12.693 -23.275 1.00 0.00 C ATOM 717 CD LYS A 48 4.530 11.680 -24.283 1.00 0.00 C ATOM 718 CE LYS A 48 5.678 12.275 -25.112 1.00 0.00 C ATOM 719 NZ LYS A 48 5.223 13.387 -25.989 1.00 0.00 N ATOM 0 H LYS A 48 0.705 10.851 -21.773 1.00 0.00 H new ATOM 0 HA LYS A 48 3.394 10.146 -22.353 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.893 12.006 -23.354 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.275 12.946 -21.924 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.706 13.624 -23.794 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.679 12.925 -22.515 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.893 10.806 -23.742 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.743 11.335 -24.954 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.457 12.639 -24.442 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.125 11.492 -25.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.973 13.621 -26.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.367 13.096 -26.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.011 14.223 -25.408 1.00 0.00 H new ATOM 733 N ALA A 49 2.816 11.436 -19.367 1.00 0.00 N ATOM 734 CA ALA A 49 3.392 11.649 -18.018 1.00 0.00 C ATOM 735 C ALA A 49 4.098 10.379 -17.513 1.00 0.00 C ATOM 736 O ALA A 49 5.216 10.451 -16.997 1.00 0.00 O ATOM 737 CB ALA A 49 2.305 12.094 -17.025 1.00 0.00 C ATOM 0 H ALA A 49 1.803 11.547 -19.401 1.00 0.00 H new ATOM 0 HA ALA A 49 4.135 12.443 -18.092 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.750 12.244 -16.042 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.859 13.028 -17.368 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.534 11.326 -16.961 1.00 0.00 H new ATOM 743 N LEU A 50 3.427 9.227 -17.704 1.00 0.00 N ATOM 744 CA LEU A 50 3.966 7.899 -17.338 1.00 0.00 C ATOM 745 C LEU A 50 5.168 7.510 -18.230 1.00 0.00 C ATOM 746 O LEU A 50 6.161 6.973 -17.726 1.00 0.00 O ATOM 747 CB LEU A 50 2.853 6.799 -17.411 1.00 0.00 C ATOM 748 CG LEU A 50 1.931 6.642 -16.155 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.757 6.275 -14.901 1.00 0.00 C ATOM 750 CD2 LEU A 50 1.066 7.891 -15.909 1.00 0.00 C ATOM 0 H LEU A 50 2.495 9.189 -18.117 1.00 0.00 H new ATOM 0 HA LEU A 50 4.318 7.965 -16.308 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.220 7.013 -18.272 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.335 5.840 -17.600 1.00 0.00 H new ATOM 0 HG LEU A 50 1.246 5.819 -16.361 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.091 6.172 -14.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.277 5.333 -15.071 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.486 7.061 -14.702 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.444 7.735 -15.028 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.711 8.755 -15.749 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.429 8.069 -16.776 1.00 0.00 H new ATOM 762 N GLU A 51 5.060 7.783 -19.550 1.00 0.00 N ATOM 763 CA GLU A 51 6.127 7.474 -20.528 1.00 0.00 C ATOM 764 C GLU A 51 7.405 8.260 -20.209 1.00 0.00 C ATOM 765 O GLU A 51 8.494 7.688 -20.130 1.00 0.00 O ATOM 766 CB GLU A 51 5.664 7.790 -21.976 1.00 0.00 C ATOM 767 CG GLU A 51 4.428 6.994 -22.454 1.00 0.00 C ATOM 768 CD GLU A 51 4.613 5.466 -22.388 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.298 4.902 -23.268 1.00 0.00 O ATOM 770 OE2 GLU A 51 4.089 4.817 -21.450 1.00 0.00 O ATOM 0 H GLU A 51 4.237 8.220 -19.965 1.00 0.00 H new ATOM 0 HA GLU A 51 6.341 6.408 -20.454 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.441 8.855 -22.046 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.491 7.592 -22.658 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.569 7.274 -21.845 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.198 7.279 -23.480 1.00 0.00 H new ATOM 777 N LEU A 52 7.234 9.568 -19.979 1.00 0.00 N ATOM 778 CA LEU A 52 8.346 10.493 -19.704 1.00 0.00 C ATOM 779 C LEU A 52 8.938 10.258 -18.311 1.00 0.00 C ATOM 780 O LEU A 52 10.110 10.549 -18.085 1.00 0.00 O ATOM 781 CB LEU A 52 7.894 11.963 -19.856 1.00 0.00 C ATOM 782 CG LEU A 52 7.380 12.386 -21.267 1.00 0.00 C ATOM 783 CD1 LEU A 52 6.977 13.873 -21.282 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.403 12.059 -22.380 1.00 0.00 C ATOM 0 H LEU A 52 6.319 10.018 -19.978 1.00 0.00 H new ATOM 0 HA LEU A 52 9.125 10.293 -20.440 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.102 12.154 -19.132 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.732 12.608 -19.590 1.00 0.00 H new ATOM 0 HG LEU A 52 6.489 11.796 -21.481 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.622 14.144 -22.276 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.183 14.042 -20.555 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.841 14.487 -21.025 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.003 12.371 -23.345 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.335 12.590 -22.185 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.593 10.986 -22.396 1.00 0.00 H new ATOM 796 N TYR A 53 8.115 9.732 -17.389 1.00 0.00 N ATOM 797 CA TYR A 53 8.574 9.366 -16.044 1.00 0.00 C ATOM 798 C TYR A 53 9.536 8.171 -16.123 1.00 0.00 C ATOM 799 O TYR A 53 10.658 8.241 -15.612 1.00 0.00 O ATOM 800 CB TYR A 53 7.375 9.053 -15.100 1.00 0.00 C ATOM 801 CG TYR A 53 7.778 8.626 -13.670 1.00 0.00 C ATOM 802 CD1 TYR A 53 8.729 9.351 -12.944 1.00 0.00 C ATOM 803 CD2 TYR A 53 7.222 7.497 -13.057 1.00 0.00 C ATOM 804 CE1 TYR A 53 9.103 8.968 -11.675 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.596 7.119 -11.781 1.00 0.00 C ATOM 806 CZ TYR A 53 8.539 7.856 -11.098 1.00 0.00 C ATOM 807 OH TYR A 53 8.917 7.486 -9.828 1.00 0.00 O ATOM 0 H TYR A 53 7.125 9.551 -17.554 1.00 0.00 H new ATOM 0 HA TYR A 53 9.107 10.218 -15.621 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.739 9.936 -15.036 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.775 8.260 -15.547 1.00 0.00 H new ATOM 0 HD1 TYR A 53 9.178 10.228 -13.387 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.488 6.911 -13.590 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.840 9.542 -11.133 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.151 6.249 -11.321 1.00 0.00 H new ATOM 0 HH TYR A 53 8.427 6.680 -9.562 1.00 0.00 H new ATOM 817 N LYS A 54 9.104 7.100 -16.813 1.00 0.00 N ATOM 818 CA LYS A 54 9.832 5.817 -16.830 1.00 0.00 C ATOM 819 C LYS A 54 11.130 5.909 -17.666 1.00 0.00 C ATOM 820 O LYS A 54 12.105 5.214 -17.369 1.00 0.00 O ATOM 821 CB LYS A 54 8.911 4.673 -17.336 1.00 0.00 C ATOM 822 CG LYS A 54 8.590 4.705 -18.849 1.00 0.00 C ATOM 823 CD LYS A 54 7.530 3.662 -19.261 1.00 0.00 C ATOM 824 CE LYS A 54 7.325 3.594 -20.783 1.00 0.00 C ATOM 825 NZ LYS A 54 6.159 2.748 -21.148 1.00 0.00 N ATOM 0 H LYS A 54 8.249 7.098 -17.369 1.00 0.00 H new ATOM 0 HA LYS A 54 10.128 5.586 -15.807 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.382 3.718 -17.101 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.973 4.711 -16.781 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.237 5.700 -19.119 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.506 4.527 -19.413 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.831 2.680 -18.895 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.582 3.905 -18.781 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.180 4.601 -21.175 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.224 3.195 -21.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.286 2.379 -22.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.084 1.954 -20.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.290 3.318 -21.107 1.00 0.00 H new ATOM 839 N ILE A 55 11.139 6.773 -18.706 1.00 0.00 N ATOM 840 CA ILE A 55 12.348 7.020 -19.533 1.00 0.00 C ATOM 841 C ILE A 55 13.219 8.136 -18.914 1.00 0.00 C ATOM 842 O ILE A 55 14.371 8.316 -19.319 1.00 0.00 O ATOM 843 CB ILE A 55 11.990 7.387 -21.029 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.298 8.788 -21.146 1.00 0.00 C ATOM 845 CG2 ILE A 55 11.110 6.272 -21.671 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.948 9.211 -22.566 1.00 0.00 C ATOM 0 H ILE A 55 10.323 7.313 -18.995 1.00 0.00 H new ATOM 0 HA ILE A 55 12.912 6.087 -19.546 1.00 0.00 H new ATOM 0 HB ILE A 55 12.927 7.451 -21.581 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.386 8.778 -20.550 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.956 9.540 -20.710 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.874 6.542 -22.700 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.654 5.327 -21.660 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.186 6.165 -21.103 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.474 10.192 -22.547 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.857 9.259 -23.166 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.263 8.485 -23.003 1.00 0.00 H new ATOM 858 N ASN A 56 12.627 8.877 -17.943 1.00 0.00 N ATOM 859 CA ASN A 56 13.275 9.996 -17.230 1.00 0.00 C ATOM 860 C ASN A 56 13.696 11.104 -18.230 1.00 0.00 C ATOM 861 O ASN A 56 14.889 11.356 -18.462 1.00 0.00 O ATOM 862 CB ASN A 56 14.465 9.486 -16.355 1.00 0.00 C ATOM 863 CG ASN A 56 15.063 10.556 -15.429 1.00 0.00 C ATOM 864 OD1 ASN A 56 14.354 11.421 -14.925 1.00 0.00 O ATOM 865 ND2 ASN A 56 16.365 10.500 -15.197 1.00 0.00 N ATOM 0 H ASN A 56 11.671 8.707 -17.632 1.00 0.00 H new ATOM 0 HA ASN A 56 12.556 10.443 -16.543 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.124 8.646 -15.750 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.249 9.108 -17.011 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.804 11.188 -14.585 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.929 9.769 -15.630 1.00 0.00 H new ATOM 872 N ALA A 57 12.685 11.710 -18.864 1.00 0.00 N ATOM 873 CA ALA A 57 12.870 12.764 -19.882 1.00 0.00 C ATOM 874 C ALA A 57 13.175 14.139 -19.249 1.00 0.00 C ATOM 875 O ALA A 57 13.347 14.260 -18.027 1.00 0.00 O ATOM 876 CB ALA A 57 11.621 12.838 -20.774 1.00 0.00 C ATOM 0 H ALA A 57 11.706 11.485 -18.687 1.00 0.00 H new ATOM 0 HA ALA A 57 13.736 12.501 -20.489 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.756 13.616 -21.526 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.469 11.878 -21.268 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.750 13.073 -20.162 1.00 0.00 H new ATOM 882 N LYS A 58 13.250 15.172 -20.111 1.00 0.00 N ATOM 883 CA LYS A 58 13.522 16.555 -19.703 1.00 0.00 C ATOM 884 C LYS A 58 12.369 17.103 -18.847 1.00 0.00 C ATOM 885 O LYS A 58 11.270 17.348 -19.351 1.00 0.00 O ATOM 886 CB LYS A 58 13.740 17.441 -20.961 1.00 0.00 C ATOM 887 CG LYS A 58 14.881 16.968 -21.891 1.00 0.00 C ATOM 888 CD LYS A 58 16.283 17.071 -21.243 1.00 0.00 C ATOM 889 CE LYS A 58 16.691 18.519 -20.906 1.00 0.00 C ATOM 890 NZ LYS A 58 17.997 18.576 -20.191 1.00 0.00 N ATOM 0 H LYS A 58 13.122 15.064 -21.117 1.00 0.00 H new ATOM 0 HA LYS A 58 14.429 16.573 -19.098 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.812 17.472 -21.533 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.950 18.461 -20.639 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.698 15.933 -22.182 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.866 17.563 -22.804 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.299 16.474 -20.331 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.021 16.640 -21.919 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.755 19.102 -21.825 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.919 18.980 -20.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.236 19.567 -19.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.929 18.041 -19.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.739 18.160 -20.789 1.00 0.00 H new ATOM 904 N LEU A 59 12.623 17.223 -17.543 1.00 0.00 N ATOM 905 CA LEU A 59 11.690 17.823 -16.579 1.00 0.00 C ATOM 906 C LEU A 59 12.256 19.172 -16.115 1.00 0.00 C ATOM 907 O LEU A 59 13.446 19.279 -15.785 1.00 0.00 O ATOM 908 CB LEU A 59 11.460 16.885 -15.362 1.00 0.00 C ATOM 909 CG LEU A 59 10.431 17.383 -14.287 1.00 0.00 C ATOM 910 CD1 LEU A 59 9.011 17.543 -14.885 1.00 0.00 C ATOM 911 CD2 LEU A 59 10.415 16.449 -13.051 1.00 0.00 C ATOM 0 H LEU A 59 13.493 16.903 -17.118 1.00 0.00 H new ATOM 0 HA LEU A 59 10.725 17.973 -17.064 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.125 15.917 -15.734 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.418 16.722 -14.869 1.00 0.00 H new ATOM 0 HG LEU A 59 10.758 18.369 -13.957 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.327 17.889 -14.110 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.038 18.270 -15.697 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.668 16.583 -15.269 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.693 16.820 -12.324 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.135 15.442 -13.360 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.406 16.427 -12.599 1.00 0.00 H new ATOM 923 N CYS A 60 11.396 20.195 -16.112 1.00 0.00 N ATOM 924 CA CYS A 60 11.755 21.557 -15.688 1.00 0.00 C ATOM 925 C CYS A 60 11.299 21.804 -14.250 1.00 0.00 C ATOM 926 O CYS A 60 11.974 22.517 -13.506 1.00 0.00 O ATOM 927 CB CYS A 60 11.047 22.589 -16.583 1.00 0.00 C ATOM 928 SG CYS A 60 11.158 22.321 -18.367 1.00 0.00 S ATOM 0 H CYS A 60 10.423 20.103 -16.405 1.00 0.00 H new ATOM 0 HA CYS A 60 12.838 21.658 -15.764 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.993 22.614 -16.307 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.458 23.573 -16.360 1.00 0.00 H new ATOM 933 N ASP A 61 10.120 21.217 -13.910 1.00 0.00 N ATOM 934 CA ASP A 61 9.325 21.530 -12.694 1.00 0.00 C ATOM 935 C ASP A 61 8.656 22.928 -12.804 1.00 0.00 C ATOM 936 O ASP A 61 9.206 23.837 -13.453 1.00 0.00 O ATOM 937 CB ASP A 61 10.155 21.409 -11.379 1.00 0.00 C ATOM 938 CG ASP A 61 10.699 19.993 -11.159 1.00 0.00 C ATOM 939 OD1 ASP A 61 9.933 19.124 -10.700 1.00 0.00 O ATOM 940 OD2 ASP A 61 11.885 19.740 -11.467 1.00 0.00 O ATOM 0 H ASP A 61 9.687 20.497 -14.488 1.00 0.00 H new ATOM 0 HA ASP A 61 8.540 20.776 -12.637 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.986 22.114 -11.411 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.531 21.691 -10.531 1.00 0.00 H new ATOM 945 N PRO A 62 7.430 23.124 -12.197 1.00 0.00 N ATOM 946 CA PRO A 62 6.755 24.451 -12.157 1.00 0.00 C ATOM 947 C PRO A 62 7.571 25.493 -11.353 1.00 0.00 C ATOM 948 O PRO A 62 8.126 25.160 -10.302 1.00 0.00 O ATOM 949 CB PRO A 62 5.391 24.143 -11.480 1.00 0.00 C ATOM 950 CG PRO A 62 5.625 22.884 -10.698 1.00 0.00 C ATOM 951 CD PRO A 62 6.602 22.075 -11.520 1.00 0.00 C ATOM 0 HA PRO A 62 6.646 24.895 -13.147 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.079 24.960 -10.830 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.603 24.007 -12.221 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.031 23.105 -9.711 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.694 22.338 -10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.211 21.423 -10.894 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.091 21.438 -12.242 1.00 0.00 H new ATOM 959 N HIS A 63 7.646 26.743 -11.858 1.00 0.00 N ATOM 960 CA HIS A 63 8.401 27.821 -11.185 1.00 0.00 C ATOM 961 C HIS A 63 7.655 28.276 -9.904 1.00 0.00 C ATOM 962 O HIS A 63 6.422 28.293 -9.894 1.00 0.00 O ATOM 963 CB HIS A 63 8.648 29.041 -12.134 1.00 0.00 C ATOM 964 CG HIS A 63 7.463 29.961 -12.354 1.00 0.00 C ATOM 965 ND1 HIS A 63 7.262 31.118 -11.627 1.00 0.00 N ATOM 966 CD2 HIS A 63 6.426 29.896 -13.222 1.00 0.00 C ATOM 967 CE1 HIS A 63 6.168 31.716 -12.045 1.00 0.00 C ATOM 968 NE2 HIS A 63 5.639 30.995 -13.010 1.00 0.00 N ATOM 0 H HIS A 63 7.194 27.030 -12.727 1.00 0.00 H new ATOM 0 HA HIS A 63 9.376 27.419 -10.910 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.470 29.631 -11.729 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.974 28.663 -13.103 1.00 0.00 H new ATOM 0 HD1 HIS A 63 7.869 31.457 -10.880 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.252 29.118 -13.950 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.770 32.644 -11.661 1.00 0.00 H new ATOM 977 N PRO A 64 8.392 28.604 -8.796 1.00 0.00 N ATOM 978 CA PRO A 64 7.804 29.234 -7.582 1.00 0.00 C ATOM 979 C PRO A 64 7.018 30.538 -7.903 1.00 0.00 C ATOM 980 O PRO A 64 5.845 30.643 -7.511 1.00 0.00 O ATOM 981 CB PRO A 64 9.048 29.516 -6.695 1.00 0.00 C ATOM 982 CG PRO A 64 10.038 28.472 -7.117 1.00 0.00 C ATOM 983 CD PRO A 64 9.845 28.328 -8.608 1.00 0.00 C ATOM 984 OXT PRO A 64 7.564 31.425 -8.592 1.00 0.00 O ATOM 0 HA PRO A 64 7.064 28.595 -7.099 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.435 30.522 -6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.809 29.434 -5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.057 28.776 -6.879 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.859 27.528 -6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.463 29.033 -9.163 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.112 27.329 -8.953 1.00 0.00 H new TER 992 PRO A 64 HETATM 993 ZN ZN A 65 9.747 23.738 -19.580 1.00 0.00 ZN