USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 517 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 66:sc= 0.691 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= 0.189 (180deg=-0.437) USER MOD Single : A 19 SER OG : rot -122:sc= 1 USER MOD Single : A 24 THR OG1 : rot -179:sc= 0.812 USER MOD Single : A 25 MET CE :methyl 139:sc= -2.64 (180deg=-6.67!) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00308) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 65:sc= 0.681 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.284 K(o=0.28,f=-4.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 0.689 (180deg=0.587) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0588 (180deg=-0.336) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0642 USER MOD Single : A 51 ASN : amide:sc= -0.0514 X(o=-0.051,f=-0.051) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= -0.101 (180deg=-0.578) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.002 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00196 X(o=-0.002,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 11.183 -8.622 -7.805 1.00 0.00 N ATOM 89 CA GLU A 7 12.580 -8.405 -8.160 1.00 0.00 C ATOM 90 C GLU A 7 12.849 -6.928 -8.434 1.00 0.00 C ATOM 91 O GLU A 7 11.945 -6.179 -8.806 1.00 0.00 O ATOM 92 CB GLU A 7 12.954 -9.239 -9.387 1.00 0.00 C ATOM 93 CG GLU A 7 14.413 -9.108 -9.791 1.00 0.00 C ATOM 94 CD GLU A 7 14.912 -10.309 -10.570 1.00 0.00 C ATOM 95 OE1 GLU A 7 14.766 -11.444 -10.068 1.00 0.00 O ATOM 96 OE2 GLU A 7 15.450 -10.116 -11.680 1.00 0.00 O ATOM 0 HA GLU A 7 13.195 -8.718 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.735 -10.287 -9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.325 -8.939 -10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.540 -8.210 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.024 -8.980 -8.897 1.00 0.00 H new ATOM 103 N LEU A 8 14.098 -6.516 -8.248 1.00 0.00 N ATOM 104 CA LEU A 8 14.488 -5.128 -8.474 1.00 0.00 C ATOM 105 C LEU A 8 15.882 -5.047 -9.087 1.00 0.00 C ATOM 106 O LEU A 8 16.720 -5.921 -8.867 1.00 0.00 O ATOM 107 CB LEU A 8 14.450 -4.346 -7.160 1.00 0.00 C ATOM 108 CG LEU A 8 13.072 -3.858 -6.709 1.00 0.00 C ATOM 109 CD1 LEU A 8 12.951 -3.930 -5.195 1.00 0.00 C ATOM 110 CD2 LEU A 8 12.822 -2.440 -7.200 1.00 0.00 C ATOM 0 H LEU A 8 14.858 -7.123 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 8 13.778 -4.686 -9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.866 -4.976 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.106 -3.481 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 8 12.315 -4.510 -7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.965 -3.579 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.086 -4.961 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.716 -3.302 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.837 -2.109 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.584 -1.775 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.866 -2.419 -8.289 1.00 0.00 H new ATOM 122 N VAL A 9 16.125 -3.990 -9.856 1.00 0.00 N ATOM 123 CA VAL A 9 17.419 -3.793 -10.498 1.00 0.00 C ATOM 124 C VAL A 9 18.060 -2.484 -10.051 1.00 0.00 C ATOM 125 O VAL A 9 17.372 -1.485 -9.835 1.00 0.00 O ATOM 126 CB VAL A 9 17.289 -3.791 -12.033 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.602 -5.060 -12.513 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.533 -2.556 -12.502 1.00 0.00 C ATOM 0 H VAL A 9 15.442 -3.257 -10.049 1.00 0.00 H new ATOM 0 HA VAL A 9 18.053 -4.626 -10.196 1.00 0.00 H new ATOM 0 HB VAL A 9 18.290 -3.763 -12.465 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.519 -5.040 -13.600 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.187 -5.928 -12.209 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.606 -5.123 -12.074 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.450 -2.571 -13.589 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.536 -2.551 -12.062 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.071 -1.660 -12.191 1.00 0.00 H new ATOM 138 N LEU A 10 19.381 -2.496 -9.915 1.00 0.00 N ATOM 139 CA LEU A 10 20.117 -1.308 -9.494 1.00 0.00 C ATOM 140 C LEU A 10 20.586 -0.502 -10.701 1.00 0.00 C ATOM 141 O LEU A 10 21.174 -1.048 -11.634 1.00 0.00 O ATOM 142 CB LEU A 10 21.318 -1.707 -8.634 1.00 0.00 C ATOM 143 CG LEU A 10 22.054 -0.562 -7.937 1.00 0.00 C ATOM 144 CD1 LEU A 10 22.778 -1.069 -6.700 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.031 0.105 -8.894 1.00 0.00 C ATOM 0 H LEU A 10 19.965 -3.314 -10.090 1.00 0.00 H new ATOM 0 HA LEU A 10 19.446 -0.685 -8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.978 -2.410 -7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.030 -2.240 -9.264 1.00 0.00 H new ATOM 0 HG LEU A 10 21.320 0.180 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 10 23.296 -0.241 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 10 22.056 -1.499 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 10 23.502 -1.831 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 10 23.546 0.917 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.761 -0.628 -9.238 1.00 0.00 H new ATOM 0 HD23 LEU A 10 22.487 0.504 -9.750 1.00 0.00 H new ATOM 157 N ALA A 11 20.325 0.801 -10.674 1.00 0.00 N ATOM 158 CA ALA A 11 20.724 1.683 -11.763 1.00 0.00 C ATOM 159 C ALA A 11 22.131 2.228 -11.540 1.00 0.00 C ATOM 160 O ALA A 11 22.407 2.864 -10.522 1.00 0.00 O ATOM 161 CB ALA A 11 19.730 2.825 -11.908 1.00 0.00 C ATOM 0 H ALA A 11 19.839 1.269 -9.909 1.00 0.00 H new ATOM 0 HA ALA A 11 20.730 1.102 -12.685 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.040 3.476 -12.725 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.740 2.421 -12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.696 3.397 -10.981 1.00 0.00 H new ATOM 167 N LEU A 12 23.017 1.976 -12.497 1.00 0.00 N ATOM 168 CA LEU A 12 24.396 2.441 -12.405 1.00 0.00 C ATOM 169 C LEU A 12 24.563 3.789 -13.100 1.00 0.00 C ATOM 170 O LEU A 12 25.305 4.653 -12.630 1.00 0.00 O ATOM 171 CB LEU A 12 25.344 1.414 -13.026 1.00 0.00 C ATOM 172 CG LEU A 12 25.107 -0.044 -12.630 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.837 -0.981 -13.579 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.549 -0.285 -11.194 1.00 0.00 C ATOM 0 H LEU A 12 22.805 1.452 -13.346 1.00 0.00 H new ATOM 0 HA LEU A 12 24.643 2.563 -11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.271 1.491 -14.111 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.365 1.682 -12.755 1.00 0.00 H new ATOM 0 HG LEU A 12 24.039 -0.250 -12.700 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.656 -2.014 -13.281 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.472 -0.827 -14.595 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.907 -0.775 -13.543 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.373 -1.328 -10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.611 -0.060 -11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 12 24.980 0.360 -10.525 1.00 0.00 H new ATOM 186 N TYR A 13 23.869 3.962 -14.218 1.00 0.00 N ATOM 187 CA TYR A 13 23.941 5.205 -14.978 1.00 0.00 C ATOM 188 C TYR A 13 22.544 5.733 -15.292 1.00 0.00 C ATOM 189 O TYR A 13 21.670 4.986 -15.733 1.00 0.00 O ATOM 190 CB TYR A 13 24.720 4.990 -16.276 1.00 0.00 C ATOM 191 CG TYR A 13 26.136 4.506 -16.059 1.00 0.00 C ATOM 192 CD1 TYR A 13 26.407 3.159 -15.851 1.00 0.00 C ATOM 193 CD2 TYR A 13 27.203 5.396 -16.061 1.00 0.00 C ATOM 194 CE1 TYR A 13 27.699 2.713 -15.651 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.499 4.958 -15.864 1.00 0.00 C ATOM 196 CZ TYR A 13 28.741 3.616 -15.659 1.00 0.00 C ATOM 197 OH TYR A 13 30.030 3.176 -15.461 1.00 0.00 O ATOM 0 H TYR A 13 23.250 3.258 -14.619 1.00 0.00 H new ATOM 0 HA TYR A 13 24.461 5.944 -14.368 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.188 4.266 -16.893 1.00 0.00 H new ATOM 0 HB3 TYR A 13 24.746 5.926 -16.833 1.00 0.00 H new ATOM 0 HD1 TYR A 13 25.594 2.449 -15.846 1.00 0.00 H new ATOM 0 HD2 TYR A 13 27.016 6.448 -16.219 1.00 0.00 H new ATOM 0 HE1 TYR A 13 27.892 1.663 -15.489 1.00 0.00 H new ATOM 0 HE2 TYR A 13 29.317 5.663 -15.871 1.00 0.00 H new ATOM 0 HH TYR A 13 30.645 3.938 -15.497 1.00 0.00 H new ATOM 207 N ASP A 14 22.342 7.026 -15.061 1.00 0.00 N ATOM 208 CA ASP A 14 21.053 7.656 -15.320 1.00 0.00 C ATOM 209 C ASP A 14 20.604 7.405 -16.756 1.00 0.00 C ATOM 210 O ASP A 14 21.428 7.293 -17.664 1.00 0.00 O ATOM 211 CB ASP A 14 21.134 9.160 -15.053 1.00 0.00 C ATOM 212 CG ASP A 14 22.424 9.770 -15.565 1.00 0.00 C ATOM 213 OD1 ASP A 14 22.752 9.554 -16.750 1.00 0.00 O ATOM 214 OD2 ASP A 14 23.105 10.463 -14.780 1.00 0.00 O ATOM 0 H ASP A 14 23.054 7.658 -14.695 1.00 0.00 H new ATOM 0 HA ASP A 14 20.318 7.214 -14.647 1.00 0.00 H new ATOM 0 HB2 ASP A 14 20.287 9.656 -15.527 1.00 0.00 H new ATOM 0 HB3 ASP A 14 21.050 9.341 -13.981 1.00 0.00 H new ATOM 219 N TYR A 15 19.293 7.317 -16.954 1.00 0.00 N ATOM 220 CA TYR A 15 18.735 7.076 -18.279 1.00 0.00 C ATOM 221 C TYR A 15 17.673 8.117 -18.621 1.00 0.00 C ATOM 222 O TYR A 15 17.167 8.813 -17.742 1.00 0.00 O ATOM 223 CB TYR A 15 18.132 5.672 -18.353 1.00 0.00 C ATOM 224 CG TYR A 15 17.848 5.209 -19.764 1.00 0.00 C ATOM 225 CD1 TYR A 15 18.861 5.147 -20.713 1.00 0.00 C ATOM 226 CD2 TYR A 15 16.567 4.831 -20.148 1.00 0.00 C ATOM 227 CE1 TYR A 15 18.606 4.725 -22.003 1.00 0.00 C ATOM 228 CE2 TYR A 15 16.303 4.407 -21.436 1.00 0.00 C ATOM 229 CZ TYR A 15 17.326 4.355 -22.360 1.00 0.00 C ATOM 230 OH TYR A 15 17.069 3.933 -23.644 1.00 0.00 O ATOM 0 H TYR A 15 18.597 7.409 -16.214 1.00 0.00 H new ATOM 0 HA TYR A 15 19.543 7.156 -19.006 1.00 0.00 H new ATOM 0 HB2 TYR A 15 18.815 4.967 -17.879 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.205 5.653 -17.780 1.00 0.00 H new ATOM 0 HD1 TYR A 15 19.865 5.434 -20.437 1.00 0.00 H new ATOM 0 HD2 TYR A 15 15.764 4.869 -19.427 1.00 0.00 H new ATOM 0 HE1 TYR A 15 19.405 4.685 -22.729 1.00 0.00 H new ATOM 0 HE2 TYR A 15 15.301 4.118 -21.718 1.00 0.00 H new ATOM 0 HH TYR A 15 17.531 3.084 -23.808 1.00 0.00 H new ATOM 240 N GLN A 16 17.341 8.215 -19.904 1.00 0.00 N ATOM 241 CA GLN A 16 16.340 9.170 -20.363 1.00 0.00 C ATOM 242 C GLN A 16 15.402 8.529 -21.381 1.00 0.00 C ATOM 243 O GLN A 16 15.772 8.327 -22.537 1.00 0.00 O ATOM 244 CB GLN A 16 17.018 10.396 -20.977 1.00 0.00 C ATOM 245 CG GLN A 16 17.373 11.468 -19.959 1.00 0.00 C ATOM 246 CD GLN A 16 16.241 12.448 -19.724 1.00 0.00 C ATOM 247 OE1 GLN A 16 15.819 13.158 -20.638 1.00 0.00 O ATOM 248 NE2 GLN A 16 15.742 12.493 -18.495 1.00 0.00 N ATOM 0 H GLN A 16 17.751 7.645 -20.644 1.00 0.00 H new ATOM 0 HA GLN A 16 15.751 9.483 -19.501 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.926 10.080 -21.491 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.359 10.826 -21.731 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.639 10.993 -19.015 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.254 12.011 -20.302 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.122 11.887 -17.768 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.979 13.134 -18.278 1.00 0.00 H new ATOM 257 N GLU A 17 14.188 8.213 -20.942 1.00 0.00 N ATOM 258 CA GLU A 17 13.198 7.594 -21.816 1.00 0.00 C ATOM 259 C GLU A 17 13.043 8.387 -23.110 1.00 0.00 C ATOM 260 O GLU A 17 13.256 9.600 -23.138 1.00 0.00 O ATOM 261 CB GLU A 17 11.849 7.491 -21.103 1.00 0.00 C ATOM 262 CG GLU A 17 11.381 8.801 -20.494 1.00 0.00 C ATOM 263 CD GLU A 17 10.912 9.796 -21.538 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.223 9.376 -22.491 1.00 0.00 O ATOM 265 OE2 GLU A 17 11.234 10.995 -21.401 1.00 0.00 O ATOM 0 H GLU A 17 13.866 8.375 -19.988 1.00 0.00 H new ATOM 0 HA GLU A 17 13.547 6.592 -22.064 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.099 7.141 -21.812 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.920 6.739 -20.317 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.568 8.603 -19.796 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.195 9.241 -19.918 1.00 0.00 H new ATOM 272 N LYS A 18 12.670 7.695 -24.181 1.00 0.00 N ATOM 273 CA LYS A 18 12.485 8.333 -25.479 1.00 0.00 C ATOM 274 C LYS A 18 11.195 7.858 -26.140 1.00 0.00 C ATOM 275 O LYS A 18 10.926 8.175 -27.298 1.00 0.00 O ATOM 276 CB LYS A 18 13.677 8.035 -26.392 1.00 0.00 C ATOM 277 CG LYS A 18 13.829 6.562 -26.733 1.00 0.00 C ATOM 278 CD LYS A 18 14.782 5.864 -25.777 1.00 0.00 C ATOM 279 CE LYS A 18 15.150 4.474 -26.273 1.00 0.00 C ATOM 280 NZ LYS A 18 13.943 3.659 -26.585 1.00 0.00 N ATOM 0 H LYS A 18 12.490 6.691 -24.176 1.00 0.00 H new ATOM 0 HA LYS A 18 12.417 9.409 -25.320 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.568 8.604 -27.315 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.590 8.384 -25.909 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.854 6.076 -26.695 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.197 6.460 -27.754 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.686 6.462 -25.662 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.321 5.790 -24.792 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.771 4.559 -27.165 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.747 3.965 -25.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.172 2.649 -26.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.178 3.905 -25.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.635 3.853 -27.559 1.00 0.00 H new ATOM 294 N SER A 19 10.399 7.097 -25.395 1.00 0.00 N ATOM 295 CA SER A 19 9.138 6.577 -25.909 1.00 0.00 C ATOM 296 C SER A 19 8.044 6.656 -24.848 1.00 0.00 C ATOM 297 O SER A 19 8.311 6.779 -23.653 1.00 0.00 O ATOM 298 CB SER A 19 9.310 5.129 -26.372 1.00 0.00 C ATOM 299 OG SER A 19 8.757 4.223 -25.433 1.00 0.00 O ATOM 0 H SER A 19 10.606 6.827 -24.433 1.00 0.00 H new ATOM 0 HA SER A 19 8.841 7.191 -26.759 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.827 4.994 -27.340 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.369 4.912 -26.511 1.00 0.00 H new ATOM 0 HG SER A 19 9.450 3.597 -25.135 1.00 0.00 H new ATOM 305 N PRO A 20 6.781 6.585 -25.295 1.00 0.00 N ATOM 306 CA PRO A 20 5.621 6.646 -24.401 1.00 0.00 C ATOM 307 C PRO A 20 5.489 5.398 -23.535 1.00 0.00 C ATOM 308 O PRO A 20 4.750 5.389 -22.551 1.00 0.00 O ATOM 309 CB PRO A 20 4.437 6.756 -25.365 1.00 0.00 C ATOM 310 CG PRO A 20 4.919 6.134 -26.630 1.00 0.00 C ATOM 311 CD PRO A 20 6.389 6.438 -26.706 1.00 0.00 C ATOM 0 HA PRO A 20 5.693 7.474 -23.696 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.561 6.236 -24.977 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.148 7.796 -25.520 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.742 5.058 -26.628 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.391 6.542 -27.492 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.941 5.635 -27.195 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.582 7.348 -27.274 1.00 0.00 H new ATOM 319 N ARG A 21 6.210 4.346 -23.909 1.00 0.00 N ATOM 320 CA ARG A 21 6.173 3.092 -23.166 1.00 0.00 C ATOM 321 C ARG A 21 7.557 2.734 -22.633 1.00 0.00 C ATOM 322 O ARG A 21 7.980 1.581 -22.703 1.00 0.00 O ATOM 323 CB ARG A 21 5.651 1.963 -24.056 1.00 0.00 C ATOM 324 CG ARG A 21 6.257 1.955 -25.450 1.00 0.00 C ATOM 325 CD ARG A 21 5.614 0.897 -26.332 1.00 0.00 C ATOM 326 NE ARG A 21 4.339 1.348 -26.886 1.00 0.00 N ATOM 327 CZ ARG A 21 3.682 0.698 -27.840 1.00 0.00 C ATOM 328 NH1 ARG A 21 4.176 -0.424 -28.344 1.00 0.00 N ATOM 329 NH2 ARG A 21 2.527 1.171 -28.292 1.00 0.00 N ATOM 0 H ARG A 21 6.826 4.337 -24.722 1.00 0.00 H new ATOM 0 HA ARG A 21 5.499 3.221 -22.319 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.857 1.007 -23.574 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.568 2.050 -24.141 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.132 2.936 -25.908 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.329 1.770 -25.381 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.293 0.642 -27.146 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.456 -0.012 -25.752 1.00 0.00 H new ATOM 0 HE ARG A 21 3.932 2.209 -26.520 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.063 -0.791 -27.999 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.669 -0.921 -29.077 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.144 2.034 -27.907 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.023 0.671 -29.025 1.00 0.00 H new ATOM 343 N GLU A 22 8.257 3.732 -22.101 1.00 0.00 N ATOM 344 CA GLU A 22 9.593 3.521 -21.557 1.00 0.00 C ATOM 345 C GLU A 22 9.672 3.993 -20.108 1.00 0.00 C ATOM 346 O GLU A 22 8.659 4.343 -19.502 1.00 0.00 O ATOM 347 CB GLU A 22 10.634 4.260 -22.402 1.00 0.00 C ATOM 348 CG GLU A 22 11.903 3.459 -22.642 1.00 0.00 C ATOM 349 CD GLU A 22 11.878 2.707 -23.958 1.00 0.00 C ATOM 350 OE1 GLU A 22 11.369 3.266 -24.952 1.00 0.00 O ATOM 351 OE2 GLU A 22 12.367 1.559 -23.994 1.00 0.00 O ATOM 0 H GLU A 22 7.921 4.693 -22.035 1.00 0.00 H new ATOM 0 HA GLU A 22 9.804 2.452 -21.585 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.191 4.520 -23.363 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.893 5.196 -21.907 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.761 4.132 -22.628 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.041 2.750 -21.825 1.00 0.00 H new ATOM 358 N VAL A 23 10.882 3.998 -19.558 1.00 0.00 N ATOM 359 CA VAL A 23 11.094 4.426 -18.180 1.00 0.00 C ATOM 360 C VAL A 23 12.384 5.227 -18.046 1.00 0.00 C ATOM 361 O VAL A 23 13.154 5.350 -18.999 1.00 0.00 O ATOM 362 CB VAL A 23 11.146 3.223 -17.221 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.743 2.718 -16.919 1.00 0.00 C ATOM 364 CG2 VAL A 23 12.007 2.113 -17.805 1.00 0.00 C ATOM 0 H VAL A 23 11.731 3.710 -20.045 1.00 0.00 H new ATOM 0 HA VAL A 23 10.248 5.059 -17.911 1.00 0.00 H new ATOM 0 HB VAL A 23 11.598 3.548 -16.284 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.801 1.868 -16.240 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.162 3.515 -16.455 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.260 2.410 -17.846 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.033 1.271 -17.114 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.586 1.789 -18.757 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.020 2.483 -17.963 1.00 0.00 H new ATOM 374 N THR A 24 12.616 5.770 -16.855 1.00 0.00 N ATOM 375 CA THR A 24 13.813 6.560 -16.595 1.00 0.00 C ATOM 376 C THR A 24 14.265 6.413 -15.146 1.00 0.00 C ATOM 377 O THR A 24 13.443 6.373 -14.231 1.00 0.00 O ATOM 378 CB THR A 24 13.579 8.052 -16.899 1.00 0.00 C ATOM 379 OG1 THR A 24 14.050 8.363 -18.214 1.00 0.00 O ATOM 380 CG2 THR A 24 14.289 8.929 -15.879 1.00 0.00 C ATOM 0 H THR A 24 11.990 5.677 -16.055 1.00 0.00 H new ATOM 0 HA THR A 24 14.592 6.180 -17.256 1.00 0.00 H new ATOM 0 HB THR A 24 12.509 8.249 -16.841 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.911 9.316 -18.394 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.110 9.978 -16.114 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.907 8.710 -14.882 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.360 8.728 -15.909 1.00 0.00 H new ATOM 388 N MET A 25 15.576 6.333 -14.946 1.00 0.00 N ATOM 389 CA MET A 25 16.136 6.193 -13.607 1.00 0.00 C ATOM 390 C MET A 25 17.353 7.096 -13.429 1.00 0.00 C ATOM 391 O MET A 25 17.825 7.714 -14.383 1.00 0.00 O ATOM 392 CB MET A 25 16.525 4.736 -13.344 1.00 0.00 C ATOM 393 CG MET A 25 17.054 4.017 -14.574 1.00 0.00 C ATOM 394 SD MET A 25 18.641 4.666 -15.129 1.00 0.00 S ATOM 395 CE MET A 25 19.297 3.251 -16.010 1.00 0.00 C ATOM 0 H MET A 25 16.270 6.363 -15.693 1.00 0.00 H new ATOM 0 HA MET A 25 15.374 6.494 -12.888 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.283 4.707 -12.562 1.00 0.00 H new ATOM 0 HB3 MET A 25 15.655 4.199 -12.965 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.158 2.955 -14.353 1.00 0.00 H new ATOM 0 HG3 MET A 25 16.327 4.105 -15.382 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.782 3.586 -16.927 1.00 0.00 H new ATOM 0 HE2 MET A 25 20.024 2.736 -15.382 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.484 2.568 -16.258 1.00 0.00 H new ATOM 405 N LYS A 26 17.857 7.167 -12.202 1.00 0.00 N ATOM 406 CA LYS A 26 19.019 7.994 -11.898 1.00 0.00 C ATOM 407 C LYS A 26 20.156 7.148 -11.333 1.00 0.00 C ATOM 408 O LYS A 26 19.928 6.065 -10.794 1.00 0.00 O ATOM 409 CB LYS A 26 18.643 9.093 -10.902 1.00 0.00 C ATOM 410 CG LYS A 26 17.874 10.244 -11.527 1.00 0.00 C ATOM 411 CD LYS A 26 18.157 11.555 -10.815 1.00 0.00 C ATOM 412 CE LYS A 26 17.036 12.560 -11.031 1.00 0.00 C ATOM 413 NZ LYS A 26 15.861 12.275 -10.161 1.00 0.00 N ATOM 0 H LYS A 26 17.479 6.661 -11.401 1.00 0.00 H new ATOM 0 HA LYS A 26 19.358 8.454 -12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.043 8.658 -10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.552 9.481 -10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 26 18.144 10.335 -12.579 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.806 10.032 -11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.282 11.371 -9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.096 11.972 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.405 13.565 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.727 12.541 -12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.005 12.682 -10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.744 11.246 -10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.013 12.698 -9.223 1.00 0.00 H new ATOM 427 N LYS A 27 21.380 7.649 -11.460 1.00 0.00 N ATOM 428 CA LYS A 27 22.552 6.941 -10.960 1.00 0.00 C ATOM 429 C LYS A 27 22.373 6.559 -9.494 1.00 0.00 C ATOM 430 O LYS A 27 22.470 7.404 -8.606 1.00 0.00 O ATOM 431 CB LYS A 27 23.804 7.807 -11.122 1.00 0.00 C ATOM 432 CG LYS A 27 23.611 9.245 -10.674 1.00 0.00 C ATOM 433 CD LYS A 27 23.532 10.193 -11.859 1.00 0.00 C ATOM 434 CE LYS A 27 24.207 11.522 -11.556 1.00 0.00 C ATOM 435 NZ LYS A 27 25.662 11.490 -11.876 1.00 0.00 N ATOM 0 H LYS A 27 21.586 8.543 -11.905 1.00 0.00 H new ATOM 0 HA LYS A 27 22.670 6.028 -11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 27 24.619 7.363 -10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.108 7.799 -12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 27 22.699 9.323 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 27 24.437 9.539 -10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 27 24.005 9.733 -12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 27 22.488 10.365 -12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 27 23.726 12.313 -12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 27 24.072 11.766 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.086 12.414 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.126 10.752 -11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 25.791 11.282 -12.887 1.00 0.00 H new ATOM 449 N GLY A 28 22.112 5.279 -9.248 1.00 0.00 N ATOM 450 CA GLY A 28 21.924 4.807 -7.889 1.00 0.00 C ATOM 451 C GLY A 28 20.464 4.584 -7.548 1.00 0.00 C ATOM 452 O GLY A 28 20.096 4.519 -6.375 1.00 0.00 O ATOM 0 H GLY A 28 22.027 4.560 -9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.472 3.875 -7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.349 5.531 -7.194 1.00 0.00 H new ATOM 456 N ASP A 29 19.630 4.468 -8.576 1.00 0.00 N ATOM 457 CA ASP A 29 18.201 4.252 -8.380 1.00 0.00 C ATOM 458 C ASP A 29 17.864 2.765 -8.437 1.00 0.00 C ATOM 459 O ASP A 29 18.728 1.933 -8.713 1.00 0.00 O ATOM 460 CB ASP A 29 17.399 5.010 -9.439 1.00 0.00 C ATOM 461 CG ASP A 29 17.157 6.457 -9.055 1.00 0.00 C ATOM 462 OD1 ASP A 29 18.049 7.060 -8.423 1.00 0.00 O ATOM 463 OD2 ASP A 29 16.075 6.986 -9.387 1.00 0.00 O ATOM 0 H ASP A 29 19.919 4.520 -9.553 1.00 0.00 H new ATOM 0 HA ASP A 29 17.933 4.630 -7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 29 17.932 4.973 -10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.441 4.512 -9.591 1.00 0.00 H new ATOM 468 N ILE A 30 16.603 2.439 -8.173 1.00 0.00 N ATOM 469 CA ILE A 30 16.153 1.053 -8.194 1.00 0.00 C ATOM 470 C ILE A 30 14.814 0.921 -8.913 1.00 0.00 C ATOM 471 O ILE A 30 13.883 1.687 -8.661 1.00 0.00 O ATOM 472 CB ILE A 30 16.016 0.483 -6.769 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.290 0.750 -5.966 1.00 0.00 C ATOM 474 CG2 ILE A 30 15.717 -1.007 -6.821 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.187 0.336 -4.514 1.00 0.00 C ATOM 0 H ILE A 30 15.875 3.116 -7.942 1.00 0.00 H new ATOM 0 HA ILE A 30 16.910 0.484 -8.733 1.00 0.00 H new ATOM 0 HB ILE A 30 15.184 0.982 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.120 0.217 -6.429 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.526 1.813 -6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.623 -1.395 -5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.784 -1.172 -7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.529 -1.523 -7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.126 0.554 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.378 0.888 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 30 16.982 -0.733 -4.454 1.00 0.00 H new ATOM 487 N LEU A 31 14.724 -0.057 -9.808 1.00 0.00 N ATOM 488 CA LEU A 31 13.498 -0.292 -10.563 1.00 0.00 C ATOM 489 C LEU A 31 13.010 -1.725 -10.376 1.00 0.00 C ATOM 490 O LEU A 31 13.791 -2.674 -10.450 1.00 0.00 O ATOM 491 CB LEU A 31 13.729 -0.009 -12.048 1.00 0.00 C ATOM 492 CG LEU A 31 14.187 1.407 -12.399 1.00 0.00 C ATOM 493 CD1 LEU A 31 13.401 2.436 -11.601 1.00 0.00 C ATOM 494 CD2 LEU A 31 15.680 1.562 -12.146 1.00 0.00 C ATOM 0 H LEU A 31 15.485 -0.700 -10.028 1.00 0.00 H new ATOM 0 HA LEU A 31 12.732 0.385 -10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.474 -0.713 -12.420 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.802 -0.213 -12.584 1.00 0.00 H new ATOM 0 HG LEU A 31 13.998 1.577 -13.459 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.741 3.438 -11.864 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.340 2.341 -11.830 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.558 2.268 -10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.989 2.576 -12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.892 1.372 -11.094 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.229 0.850 -12.762 1.00 0.00 H new ATOM 506 N THR A 32 11.711 -1.875 -10.137 1.00 0.00 N ATOM 507 CA THR A 32 11.117 -3.192 -9.941 1.00 0.00 C ATOM 508 C THR A 32 11.112 -3.991 -11.239 1.00 0.00 C ATOM 509 O THR A 32 10.383 -3.667 -12.177 1.00 0.00 O ATOM 510 CB THR A 32 9.675 -3.085 -9.411 1.00 0.00 C ATOM 511 OG1 THR A 32 9.634 -2.218 -8.272 1.00 0.00 O ATOM 512 CG2 THR A 32 9.135 -4.455 -9.032 1.00 0.00 C ATOM 0 H THR A 32 11.050 -1.101 -10.074 1.00 0.00 H new ATOM 0 HA THR A 32 11.730 -3.708 -9.202 1.00 0.00 H new ATOM 0 HB THR A 32 9.050 -2.672 -10.203 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.713 -2.154 -7.942 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.115 -4.354 -8.660 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.139 -5.103 -9.908 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.763 -4.891 -8.255 1.00 0.00 H new ATOM 520 N LEU A 33 11.929 -5.038 -11.286 1.00 0.00 N ATOM 521 CA LEU A 33 12.018 -5.885 -12.471 1.00 0.00 C ATOM 522 C LEU A 33 10.717 -6.651 -12.691 1.00 0.00 C ATOM 523 O LEU A 33 10.280 -7.414 -11.829 1.00 0.00 O ATOM 524 CB LEU A 33 13.184 -6.866 -12.333 1.00 0.00 C ATOM 525 CG LEU A 33 13.642 -7.548 -13.623 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.629 -8.594 -14.063 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.860 -6.519 -14.722 1.00 0.00 C ATOM 0 H LEU A 33 12.539 -5.321 -10.518 1.00 0.00 H new ATOM 0 HA LEU A 33 12.191 -5.243 -13.335 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.033 -6.332 -11.906 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.901 -7.638 -11.618 1.00 0.00 H new ATOM 0 HG LEU A 33 14.590 -8.049 -13.429 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.972 -9.069 -14.982 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.523 -9.348 -13.283 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.665 -8.116 -14.239 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.186 -7.022 -15.632 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.927 -5.989 -14.914 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.624 -5.807 -14.408 1.00 0.00 H new ATOM 539 N LEU A 34 10.105 -6.445 -13.852 1.00 0.00 N ATOM 540 CA LEU A 34 8.855 -7.118 -14.187 1.00 0.00 C ATOM 541 C LEU A 34 9.095 -8.245 -15.186 1.00 0.00 C ATOM 542 O LEU A 34 8.482 -9.308 -15.096 1.00 0.00 O ATOM 543 CB LEU A 34 7.852 -6.116 -14.763 1.00 0.00 C ATOM 544 CG LEU A 34 6.883 -5.486 -13.761 1.00 0.00 C ATOM 545 CD1 LEU A 34 6.050 -6.559 -13.078 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.641 -4.661 -12.732 1.00 0.00 C ATOM 0 H LEU A 34 10.454 -5.818 -14.577 1.00 0.00 H new ATOM 0 HA LEU A 34 8.446 -7.548 -13.273 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.408 -5.316 -15.253 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.269 -6.618 -15.535 1.00 0.00 H new ATOM 0 HG LEU A 34 6.210 -4.823 -14.304 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.366 -6.092 -12.369 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.478 -7.107 -13.827 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.708 -7.248 -12.548 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.935 -4.221 -12.028 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.339 -5.303 -12.194 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.193 -3.868 -13.237 1.00 0.00 H new ATOM 558 N ASN A 35 9.992 -8.006 -16.137 1.00 0.00 N ATOM 559 CA ASN A 35 10.314 -9.002 -17.153 1.00 0.00 C ATOM 560 C ASN A 35 11.767 -8.874 -17.599 1.00 0.00 C ATOM 561 O ASN A 35 12.188 -7.823 -18.082 1.00 0.00 O ATOM 562 CB ASN A 35 9.384 -8.851 -18.358 1.00 0.00 C ATOM 563 CG ASN A 35 8.375 -9.979 -18.454 1.00 0.00 C ATOM 564 OD1 ASN A 35 7.201 -9.807 -18.124 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.829 -11.142 -18.908 1.00 0.00 N ATOM 0 H ASN A 35 10.509 -7.131 -16.226 1.00 0.00 H new ATOM 0 HA ASN A 35 10.173 -9.990 -16.715 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.856 -7.900 -18.289 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.979 -8.820 -19.271 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.197 -11.938 -18.995 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.810 -11.239 -19.170 1.00 0.00 H new ATOM 572 N SER A 36 12.528 -9.951 -17.433 1.00 0.00 N ATOM 573 CA SER A 36 13.936 -9.958 -17.815 1.00 0.00 C ATOM 574 C SER A 36 14.231 -11.105 -18.777 1.00 0.00 C ATOM 575 O SER A 36 15.231 -11.810 -18.634 1.00 0.00 O ATOM 576 CB SER A 36 14.823 -10.077 -16.574 1.00 0.00 C ATOM 577 OG SER A 36 14.817 -11.400 -16.068 1.00 0.00 O ATOM 0 H SER A 36 12.194 -10.830 -17.037 1.00 0.00 H new ATOM 0 HA SER A 36 14.155 -9.017 -18.320 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.843 -9.784 -16.823 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.472 -9.389 -15.805 1.00 0.00 H new ATOM 0 HG SER A 36 15.222 -12.004 -16.725 1.00 0.00 H new ATOM 583 N THR A 37 13.353 -11.288 -19.758 1.00 0.00 N ATOM 584 CA THR A 37 13.517 -12.349 -20.744 1.00 0.00 C ATOM 585 C THR A 37 14.631 -12.016 -21.730 1.00 0.00 C ATOM 586 O THR A 37 15.238 -12.909 -22.320 1.00 0.00 O ATOM 587 CB THR A 37 12.213 -12.598 -21.524 1.00 0.00 C ATOM 588 OG1 THR A 37 12.426 -13.596 -22.529 1.00 0.00 O ATOM 589 CG2 THR A 37 11.718 -11.314 -22.174 1.00 0.00 C ATOM 0 H THR A 37 12.520 -10.714 -19.891 1.00 0.00 H new ATOM 0 HA THR A 37 13.780 -13.253 -20.195 1.00 0.00 H new ATOM 0 HB THR A 37 11.456 -12.946 -20.821 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.592 -13.750 -23.019 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.796 -11.514 -22.719 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.529 -10.566 -21.404 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.474 -10.941 -22.865 1.00 0.00 H new ATOM 597 N ASN A 38 14.894 -10.725 -21.904 1.00 0.00 N ATOM 598 CA ASN A 38 15.936 -10.274 -22.820 1.00 0.00 C ATOM 599 C ASN A 38 17.240 -10.009 -22.073 1.00 0.00 C ATOM 600 O ASN A 38 17.291 -10.083 -20.845 1.00 0.00 O ATOM 601 CB ASN A 38 15.488 -9.007 -23.552 1.00 0.00 C ATOM 602 CG ASN A 38 16.014 -8.944 -24.972 1.00 0.00 C ATOM 603 OD1 ASN A 38 17.069 -8.365 -25.230 1.00 0.00 O ATOM 604 ND2 ASN A 38 15.277 -9.540 -25.903 1.00 0.00 N ATOM 0 H ASN A 38 14.400 -9.973 -21.423 1.00 0.00 H new ATOM 0 HA ASN A 38 16.110 -11.065 -23.550 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.399 -8.966 -23.569 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.831 -8.132 -23.001 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.579 -9.529 -26.877 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.409 -10.008 -25.644 1.00 0.00 H new ATOM 611 N LYS A 39 18.292 -9.698 -22.822 1.00 0.00 N ATOM 612 CA LYS A 39 19.596 -9.419 -22.233 1.00 0.00 C ATOM 613 C LYS A 39 20.020 -7.980 -22.505 1.00 0.00 C ATOM 614 O LYS A 39 20.795 -7.397 -21.748 1.00 0.00 O ATOM 615 CB LYS A 39 20.646 -10.385 -22.787 1.00 0.00 C ATOM 616 CG LYS A 39 20.917 -10.203 -24.270 1.00 0.00 C ATOM 617 CD LYS A 39 21.753 -11.342 -24.828 1.00 0.00 C ATOM 618 CE LYS A 39 20.984 -12.655 -24.819 1.00 0.00 C ATOM 619 NZ LYS A 39 21.705 -13.725 -25.563 1.00 0.00 N ATOM 0 H LYS A 39 18.267 -9.633 -23.840 1.00 0.00 H new ATOM 0 HA LYS A 39 19.517 -9.557 -21.155 1.00 0.00 H new ATOM 0 HB2 LYS A 39 21.577 -10.251 -22.237 1.00 0.00 H new ATOM 0 HB3 LYS A 39 20.316 -11.408 -22.609 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.971 -10.146 -24.809 1.00 0.00 H new ATOM 0 HG3 LYS A 39 21.434 -9.257 -24.433 1.00 0.00 H new ATOM 0 HD2 LYS A 39 22.058 -11.105 -25.847 1.00 0.00 H new ATOM 0 HD3 LYS A 39 22.664 -11.449 -24.239 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.822 -12.974 -23.789 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.000 -12.503 -25.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.149 -14.603 -25.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.837 -13.432 -26.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 22.633 -13.888 -25.124 1.00 0.00 H new ATOM 633 N ASP A 40 19.505 -7.412 -23.591 1.00 0.00 N ATOM 634 CA ASP A 40 19.829 -6.039 -23.962 1.00 0.00 C ATOM 635 C ASP A 40 19.046 -5.047 -23.108 1.00 0.00 C ATOM 636 O ASP A 40 19.624 -4.150 -22.495 1.00 0.00 O ATOM 637 CB ASP A 40 19.529 -5.805 -25.443 1.00 0.00 C ATOM 638 CG ASP A 40 20.274 -6.770 -26.345 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.451 -6.497 -26.662 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.680 -7.798 -26.732 1.00 0.00 O ATOM 0 H ASP A 40 18.862 -7.881 -24.229 1.00 0.00 H new ATOM 0 HA ASP A 40 20.893 -5.882 -23.786 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.457 -5.906 -25.614 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.799 -4.783 -25.708 1.00 0.00 H new ATOM 645 N TRP A 41 17.729 -5.214 -23.075 1.00 0.00 N ATOM 646 CA TRP A 41 16.866 -4.331 -22.297 1.00 0.00 C ATOM 647 C TRP A 41 15.928 -5.136 -21.404 1.00 0.00 C ATOM 648 O TRP A 41 15.418 -6.181 -21.807 1.00 0.00 O ATOM 649 CB TRP A 41 16.055 -3.427 -23.227 1.00 0.00 C ATOM 650 CG TRP A 41 16.898 -2.695 -24.227 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.419 -3.198 -25.385 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.319 -1.328 -24.156 1.00 0.00 C ATOM 653 NE1 TRP A 41 18.138 -2.226 -26.038 1.00 0.00 N ATOM 654 CE2 TRP A 41 18.091 -1.069 -25.305 1.00 0.00 C ATOM 655 CE3 TRP A 41 17.116 -0.297 -23.235 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.661 0.176 -25.554 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.682 0.939 -23.483 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.446 1.168 -24.635 1.00 0.00 C ATOM 0 H TRP A 41 17.235 -5.952 -23.577 1.00 0.00 H new ATOM 0 HA TRP A 41 17.499 -3.711 -21.662 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.318 -4.030 -23.756 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.503 -2.703 -22.628 1.00 0.00 H new ATOM 0 HD1 TRP A 41 17.286 -4.211 -25.736 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.627 -2.346 -26.925 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.527 -0.463 -22.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.252 0.353 -26.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.533 1.742 -22.777 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.874 2.146 -24.801 1.00 0.00 H new ATOM 669 N TRP A 42 15.704 -4.642 -20.192 1.00 0.00 N ATOM 670 CA TRP A 42 14.825 -5.316 -19.243 1.00 0.00 C ATOM 671 C TRP A 42 13.589 -4.473 -18.952 1.00 0.00 C ATOM 672 O TRP A 42 13.646 -3.243 -18.966 1.00 0.00 O ATOM 673 CB TRP A 42 15.575 -5.610 -17.942 1.00 0.00 C ATOM 674 CG TRP A 42 16.776 -6.486 -18.134 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.954 -7.433 -19.101 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.965 -6.497 -17.336 1.00 0.00 C ATOM 677 NE1 TRP A 42 18.181 -8.032 -18.953 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.821 -7.475 -17.878 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.390 -5.775 -16.217 1.00 0.00 C ATOM 680 CZ2 TRP A 42 20.075 -7.748 -17.337 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.634 -6.047 -15.682 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.466 -7.026 -16.243 1.00 0.00 C ATOM 0 H TRP A 42 16.118 -3.778 -19.843 1.00 0.00 H new ATOM 0 HA TRP A 42 14.503 -6.257 -19.689 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.889 -4.669 -17.491 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.894 -6.089 -17.238 1.00 0.00 H new ATOM 0 HD1 TRP A 42 16.235 -7.676 -19.870 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.555 -8.772 -19.547 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.757 -5.018 -15.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.716 -8.503 -17.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.972 -5.496 -14.817 1.00 0.00 H new ATOM 0 HH2 TRP A 42 21.434 -7.214 -15.803 1.00 0.00 H new ATOM 693 N LYS A 43 12.471 -5.141 -18.689 1.00 0.00 N ATOM 694 CA LYS A 43 11.220 -4.454 -18.393 1.00 0.00 C ATOM 695 C LYS A 43 11.079 -4.201 -16.895 1.00 0.00 C ATOM 696 O LYS A 43 10.972 -5.139 -16.105 1.00 0.00 O ATOM 697 CB LYS A 43 10.031 -5.275 -18.896 1.00 0.00 C ATOM 698 CG LYS A 43 8.682 -4.675 -18.540 1.00 0.00 C ATOM 699 CD LYS A 43 8.412 -3.404 -19.328 1.00 0.00 C ATOM 700 CE LYS A 43 7.032 -3.427 -19.968 1.00 0.00 C ATOM 701 NZ LYS A 43 6.928 -4.472 -21.024 1.00 0.00 N ATOM 0 H LYS A 43 12.406 -6.159 -18.675 1.00 0.00 H new ATOM 0 HA LYS A 43 11.233 -3.493 -18.907 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.101 -5.373 -19.979 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.093 -6.281 -18.480 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.895 -5.402 -18.740 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.650 -4.456 -17.473 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.493 -2.541 -18.667 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.171 -3.286 -20.101 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.279 -3.609 -19.201 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.816 -2.450 -20.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.073 -4.306 -21.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.766 -4.430 -21.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.871 -5.410 -20.579 1.00 0.00 H new ATOM 715 N VAL A 44 11.077 -2.929 -16.511 1.00 0.00 N ATOM 716 CA VAL A 44 10.946 -2.553 -15.109 1.00 0.00 C ATOM 717 C VAL A 44 9.875 -1.484 -14.923 1.00 0.00 C ATOM 718 O VAL A 44 9.527 -0.771 -15.864 1.00 0.00 O ATOM 719 CB VAL A 44 12.280 -2.032 -14.540 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.378 -3.069 -14.718 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.663 -0.717 -15.204 1.00 0.00 C ATOM 0 H VAL A 44 11.165 -2.141 -17.152 1.00 0.00 H new ATOM 0 HA VAL A 44 10.655 -3.453 -14.567 1.00 0.00 H new ATOM 0 HB VAL A 44 12.155 -1.851 -13.472 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.312 -2.683 -14.310 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.103 -3.984 -14.193 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.507 -3.284 -15.779 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.607 -0.362 -14.791 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.771 -0.870 -16.278 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.885 0.024 -15.019 1.00 0.00 H new ATOM 731 N GLU A 45 9.356 -1.379 -13.704 1.00 0.00 N ATOM 732 CA GLU A 45 8.323 -0.397 -13.396 1.00 0.00 C ATOM 733 C GLU A 45 8.865 0.691 -12.473 1.00 0.00 C ATOM 734 O GLU A 45 9.546 0.404 -11.489 1.00 0.00 O ATOM 735 CB GLU A 45 7.117 -1.079 -12.746 1.00 0.00 C ATOM 736 CG GLU A 45 5.851 -0.240 -12.782 1.00 0.00 C ATOM 737 CD GLU A 45 4.716 -0.862 -11.991 1.00 0.00 C ATOM 738 OE1 GLU A 45 4.935 -1.928 -11.379 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.610 -0.283 -11.985 1.00 0.00 O ATOM 0 H GLU A 45 9.634 -1.961 -12.914 1.00 0.00 H new ATOM 0 HA GLU A 45 8.008 0.067 -14.331 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.930 -2.026 -13.252 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.358 -1.314 -11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.065 0.752 -12.384 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.537 -0.107 -13.817 1.00 0.00 H new ATOM 746 N VAL A 46 8.557 1.942 -12.799 1.00 0.00 N ATOM 747 CA VAL A 46 9.012 3.074 -12.001 1.00 0.00 C ATOM 748 C VAL A 46 7.835 3.806 -11.365 1.00 0.00 C ATOM 749 O VAL A 46 6.676 3.531 -11.678 1.00 0.00 O ATOM 750 CB VAL A 46 9.824 4.070 -12.850 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.990 3.367 -13.528 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.929 4.747 -13.877 1.00 0.00 C ATOM 0 H VAL A 46 7.994 2.197 -13.610 1.00 0.00 H new ATOM 0 HA VAL A 46 9.653 2.671 -11.217 1.00 0.00 H new ATOM 0 HB VAL A 46 10.228 4.838 -12.191 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.552 4.086 -14.123 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.643 2.933 -12.771 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.611 2.577 -14.176 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.519 5.447 -14.468 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.495 3.994 -14.534 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.131 5.286 -13.366 1.00 0.00 H new ATOM 762 N LYS A 47 8.140 4.741 -10.471 1.00 0.00 N ATOM 763 CA LYS A 47 7.109 5.516 -9.792 1.00 0.00 C ATOM 764 C LYS A 47 7.267 7.005 -10.081 1.00 0.00 C ATOM 765 O LYS A 47 8.382 7.499 -10.249 1.00 0.00 O ATOM 766 CB LYS A 47 7.169 5.270 -8.282 1.00 0.00 C ATOM 767 CG LYS A 47 8.487 5.682 -7.651 1.00 0.00 C ATOM 768 CD LYS A 47 8.301 6.124 -6.209 1.00 0.00 C ATOM 769 CE LYS A 47 7.765 4.993 -5.344 1.00 0.00 C ATOM 770 NZ LYS A 47 8.634 3.785 -5.411 1.00 0.00 N ATOM 0 H LYS A 47 9.094 4.980 -10.200 1.00 0.00 H new ATOM 0 HA LYS A 47 6.139 5.192 -10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.359 5.817 -7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.998 4.211 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.186 4.847 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.929 6.495 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.253 6.470 -5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.613 6.969 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.691 5.330 -4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.757 4.734 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.391 3.139 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.488 3.302 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.631 4.069 -5.326 1.00 0.00 H new ATOM 784 N ALA A 48 6.145 7.715 -10.138 1.00 0.00 N ATOM 785 CA ALA A 48 6.160 9.148 -10.403 1.00 0.00 C ATOM 786 C ALA A 48 5.152 9.880 -9.524 1.00 0.00 C ATOM 787 O ALA A 48 4.109 9.331 -9.167 1.00 0.00 O ATOM 788 CB ALA A 48 5.873 9.415 -11.874 1.00 0.00 C ATOM 0 H ALA A 48 5.214 7.321 -10.004 1.00 0.00 H new ATOM 0 HA ALA A 48 7.153 9.527 -10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.887 10.489 -12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.634 8.932 -12.487 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.892 9.016 -12.132 1.00 0.00 H new ATOM 794 N THR A 49 5.469 11.124 -9.177 1.00 0.00 N ATOM 795 CA THR A 49 4.592 11.930 -8.338 1.00 0.00 C ATOM 796 C THR A 49 4.281 13.270 -8.996 1.00 0.00 C ATOM 797 O THR A 49 5.173 14.093 -9.202 1.00 0.00 O ATOM 798 CB THR A 49 5.217 12.184 -6.954 1.00 0.00 C ATOM 799 OG1 THR A 49 5.833 10.987 -6.467 1.00 0.00 O ATOM 800 CG2 THR A 49 4.164 12.658 -5.963 1.00 0.00 C ATOM 0 H THR A 49 6.327 11.595 -9.465 1.00 0.00 H new ATOM 0 HA THR A 49 3.668 11.366 -8.213 1.00 0.00 H new ATOM 0 HB THR A 49 5.972 12.964 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.229 11.158 -5.587 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.629 12.831 -4.993 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.718 13.586 -6.322 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.389 11.898 -5.864 1.00 0.00 H new ATOM 808 N ALA A 50 3.011 13.482 -9.324 1.00 0.00 N ATOM 809 CA ALA A 50 2.582 14.723 -9.956 1.00 0.00 C ATOM 810 C ALA A 50 1.140 15.056 -9.590 1.00 0.00 C ATOM 811 O ALA A 50 0.346 14.168 -9.285 1.00 0.00 O ATOM 812 CB ALA A 50 2.736 14.626 -11.467 1.00 0.00 C ATOM 0 H ALA A 50 2.261 12.810 -9.162 1.00 0.00 H new ATOM 0 HA ALA A 50 3.218 15.528 -9.587 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.412 15.560 -11.926 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.782 14.443 -11.715 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.125 13.805 -11.843 1.00 0.00 H new ATOM 818 N ASN A 51 0.808 16.343 -9.621 1.00 0.00 N ATOM 819 CA ASN A 51 -0.539 16.794 -9.291 1.00 0.00 C ATOM 820 C ASN A 51 -0.954 16.300 -7.908 1.00 0.00 C ATOM 821 O ASN A 51 -2.137 16.096 -7.639 1.00 0.00 O ATOM 822 CB ASN A 51 -1.536 16.300 -10.341 1.00 0.00 C ATOM 823 CG ASN A 51 -0.950 16.301 -11.740 1.00 0.00 C ATOM 824 OD1 ASN A 51 -0.598 17.351 -12.277 1.00 0.00 O ATOM 825 ND2 ASN A 51 -0.843 15.119 -12.336 1.00 0.00 N ATOM 0 H ASN A 51 1.454 17.092 -9.871 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.539 17.884 -9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.858 15.290 -10.086 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.424 16.932 -10.321 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.456 15.056 -13.278 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.148 14.274 -11.852 1.00 0.00 H new ATOM 832 N GLY A 52 0.030 16.110 -7.034 1.00 0.00 N ATOM 833 CA GLY A 52 -0.253 15.643 -5.689 1.00 0.00 C ATOM 834 C GLY A 52 -0.680 14.189 -5.659 1.00 0.00 C ATOM 835 O GLY A 52 -1.291 13.733 -4.692 1.00 0.00 O ATOM 0 H GLY A 52 1.017 16.271 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.634 15.771 -5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.039 16.259 -5.252 1.00 0.00 H new ATOM 839 N LYS A 53 -0.358 13.457 -6.721 1.00 0.00 N ATOM 840 CA LYS A 53 -0.712 12.046 -6.813 1.00 0.00 C ATOM 841 C LYS A 53 0.489 11.211 -7.245 1.00 0.00 C ATOM 842 O LYS A 53 1.412 11.716 -7.885 1.00 0.00 O ATOM 843 CB LYS A 53 -1.863 11.851 -7.803 1.00 0.00 C ATOM 844 CG LYS A 53 -2.671 10.589 -7.556 1.00 0.00 C ATOM 845 CD LYS A 53 -3.508 10.701 -6.292 1.00 0.00 C ATOM 846 CE LYS A 53 -4.839 11.385 -6.564 1.00 0.00 C ATOM 847 NZ LYS A 53 -5.701 10.580 -7.473 1.00 0.00 N ATOM 0 H LYS A 53 0.148 13.818 -7.530 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.029 11.712 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.527 12.714 -7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.459 11.822 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.322 10.400 -8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.998 9.735 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.686 9.707 -5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.957 11.262 -5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.361 11.551 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.660 12.365 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.700 10.811 -7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.462 10.798 -8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.544 9.568 -7.294 1.00 0.00 H new ATOM 861 N THR A 54 0.471 9.929 -6.892 1.00 0.00 N ATOM 862 CA THR A 54 1.559 9.024 -7.242 1.00 0.00 C ATOM 863 C THR A 54 1.088 7.951 -8.216 1.00 0.00 C ATOM 864 O THR A 54 0.137 7.220 -7.938 1.00 0.00 O ATOM 865 CB THR A 54 2.149 8.345 -5.993 1.00 0.00 C ATOM 866 OG1 THR A 54 1.139 8.204 -4.988 1.00 0.00 O ATOM 867 CG2 THR A 54 3.314 9.150 -5.438 1.00 0.00 C ATOM 0 H THR A 54 -0.286 9.494 -6.364 1.00 0.00 H new ATOM 0 HA THR A 54 2.333 9.628 -7.717 1.00 0.00 H new ATOM 0 HB THR A 54 2.514 7.359 -6.282 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.522 7.770 -4.198 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.714 8.650 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.094 9.230 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.970 10.147 -5.165 1.00 0.00 H new ATOM 875 N TYR A 55 1.759 7.860 -9.359 1.00 0.00 N ATOM 876 CA TYR A 55 1.407 6.875 -10.376 1.00 0.00 C ATOM 877 C TYR A 55 2.640 6.105 -10.838 1.00 0.00 C ATOM 878 O TYR A 55 3.733 6.662 -10.932 1.00 0.00 O ATOM 879 CB TYR A 55 0.743 7.561 -11.571 1.00 0.00 C ATOM 880 CG TYR A 55 1.699 8.382 -12.406 1.00 0.00 C ATOM 881 CD1 TYR A 55 2.439 7.798 -13.427 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.861 9.742 -12.175 1.00 0.00 C ATOM 883 CE1 TYR A 55 3.314 8.545 -14.192 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.733 10.497 -12.936 1.00 0.00 C ATOM 885 CZ TYR A 55 3.457 9.894 -13.943 1.00 0.00 C ATOM 886 OH TYR A 55 4.327 10.641 -14.704 1.00 0.00 O ATOM 0 H TYR A 55 2.549 8.456 -9.605 1.00 0.00 H new ATOM 0 HA TYR A 55 0.704 6.169 -9.934 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.280 6.803 -12.203 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.057 8.207 -11.210 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.328 6.742 -13.626 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.296 10.218 -11.387 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.883 8.075 -14.981 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.847 11.554 -12.743 1.00 0.00 H new ATOM 0 HH TYR A 55 4.309 11.573 -14.401 1.00 0.00 H new ATOM 896 N GLU A 56 2.455 4.820 -11.124 1.00 0.00 N ATOM 897 CA GLU A 56 3.552 3.973 -11.576 1.00 0.00 C ATOM 898 C GLU A 56 3.381 3.599 -13.046 1.00 0.00 C ATOM 899 O GLU A 56 2.263 3.548 -13.558 1.00 0.00 O ATOM 900 CB GLU A 56 3.632 2.706 -10.722 1.00 0.00 C ATOM 901 CG GLU A 56 4.273 2.927 -9.363 1.00 0.00 C ATOM 902 CD GLU A 56 3.743 1.977 -8.306 1.00 0.00 C ATOM 903 OE1 GLU A 56 2.715 2.303 -7.677 1.00 0.00 O ATOM 904 OE2 GLU A 56 4.357 0.908 -8.109 1.00 0.00 O ATOM 0 H GLU A 56 1.556 4.343 -11.051 1.00 0.00 H new ATOM 0 HA GLU A 56 4.480 4.535 -11.468 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.627 2.310 -10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.199 1.949 -11.263 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.352 2.802 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.096 3.954 -9.045 1.00 0.00 H new ATOM 911 N ARG A 57 4.498 3.340 -13.718 1.00 0.00 N ATOM 912 CA ARG A 57 4.473 2.973 -15.129 1.00 0.00 C ATOM 913 C ARG A 57 5.557 1.947 -15.443 1.00 0.00 C ATOM 914 O ARG A 57 6.610 1.928 -14.806 1.00 0.00 O ATOM 915 CB ARG A 57 4.661 4.214 -16.004 1.00 0.00 C ATOM 916 CG ARG A 57 5.808 5.105 -15.558 1.00 0.00 C ATOM 917 CD ARG A 57 6.224 6.070 -16.657 1.00 0.00 C ATOM 918 NE ARG A 57 5.118 6.922 -17.085 1.00 0.00 N ATOM 919 CZ ARG A 57 5.170 7.714 -18.150 1.00 0.00 C ATOM 920 NH1 ARG A 57 6.268 7.763 -18.891 1.00 0.00 N ATOM 921 NH2 ARG A 57 4.122 8.460 -18.475 1.00 0.00 N ATOM 0 H ARG A 57 5.431 3.377 -13.308 1.00 0.00 H new ATOM 0 HA ARG A 57 3.502 2.528 -15.346 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.835 3.900 -17.033 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.738 4.794 -16.000 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.511 5.667 -14.673 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.660 4.488 -15.273 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.045 6.693 -16.301 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.599 5.506 -17.511 1.00 0.00 H new ATOM 0 HE ARG A 57 4.258 6.908 -16.536 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.076 7.192 -18.644 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.305 8.372 -19.708 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.276 8.426 -17.907 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.163 9.068 -19.293 1.00 0.00 H new ATOM 935 N GLN A 58 5.291 1.094 -16.428 1.00 0.00 N ATOM 936 CA GLN A 58 6.244 0.065 -16.825 1.00 0.00 C ATOM 937 C GLN A 58 6.980 0.466 -18.099 1.00 0.00 C ATOM 938 O GLN A 58 6.385 1.020 -19.023 1.00 0.00 O ATOM 939 CB GLN A 58 5.527 -1.270 -17.035 1.00 0.00 C ATOM 940 CG GLN A 58 5.120 -1.953 -15.739 1.00 0.00 C ATOM 941 CD GLN A 58 4.283 -3.195 -15.972 1.00 0.00 C ATOM 942 OE1 GLN A 58 3.109 -3.244 -15.606 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.885 -4.208 -16.584 1.00 0.00 N ATOM 0 H GLN A 58 4.424 1.096 -16.965 1.00 0.00 H new ATOM 0 HA GLN A 58 6.975 -0.045 -16.024 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.638 -1.104 -17.643 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.178 -1.938 -17.599 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.015 -2.223 -15.178 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.558 -1.251 -15.124 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.860 -4.124 -16.870 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.372 -5.070 -16.768 1.00 0.00 H new ATOM 952 N GLY A 59 8.279 0.184 -18.140 1.00 0.00 N ATOM 953 CA GLY A 59 9.075 0.523 -19.305 1.00 0.00 C ATOM 954 C GLY A 59 10.289 -0.370 -19.458 1.00 0.00 C ATOM 955 O GLY A 59 10.433 -1.363 -18.743 1.00 0.00 O ATOM 0 H GLY A 59 8.794 -0.273 -17.387 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.456 0.446 -20.199 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.399 1.561 -19.230 1.00 0.00 H new ATOM 959 N PHE A 60 11.166 -0.020 -20.393 1.00 0.00 N ATOM 960 CA PHE A 60 12.374 -0.799 -20.639 1.00 0.00 C ATOM 961 C PHE A 60 13.622 0.005 -20.284 1.00 0.00 C ATOM 962 O PHE A 60 13.662 1.222 -20.465 1.00 0.00 O ATOM 963 CB PHE A 60 12.435 -1.236 -22.104 1.00 0.00 C ATOM 964 CG PHE A 60 11.413 -2.277 -22.462 1.00 0.00 C ATOM 965 CD1 PHE A 60 10.125 -1.909 -22.815 1.00 0.00 C ATOM 966 CD2 PHE A 60 11.741 -3.623 -22.445 1.00 0.00 C ATOM 967 CE1 PHE A 60 9.182 -2.865 -23.144 1.00 0.00 C ATOM 968 CE2 PHE A 60 10.802 -4.584 -22.773 1.00 0.00 C ATOM 969 CZ PHE A 60 9.522 -4.204 -23.124 1.00 0.00 C ATOM 0 H PHE A 60 11.063 0.798 -20.993 1.00 0.00 H new ATOM 0 HA PHE A 60 12.341 -1.684 -20.004 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.292 -0.363 -22.741 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.430 -1.627 -22.317 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.854 -0.864 -22.833 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.741 -3.925 -22.172 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.181 -2.565 -23.416 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.070 -5.630 -22.755 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.787 -4.952 -23.383 1.00 0.00 H new ATOM 979 N VAL A 61 14.639 -0.685 -19.777 1.00 0.00 N ATOM 980 CA VAL A 61 15.888 -0.037 -19.397 1.00 0.00 C ATOM 981 C VAL A 61 17.091 -0.813 -19.921 1.00 0.00 C ATOM 982 O VAL A 61 17.033 -2.023 -20.140 1.00 0.00 O ATOM 983 CB VAL A 61 16.006 0.100 -17.867 1.00 0.00 C ATOM 984 CG1 VAL A 61 15.014 1.129 -17.345 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.794 -1.247 -17.194 1.00 0.00 C ATOM 0 H VAL A 61 14.622 -1.693 -19.620 1.00 0.00 H new ATOM 0 HA VAL A 61 15.878 0.957 -19.844 1.00 0.00 H new ATOM 0 HB VAL A 61 17.011 0.446 -17.627 1.00 0.00 H new ATOM 0 HG11 VAL A 61 15.112 1.212 -16.263 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.218 2.097 -17.803 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.000 0.816 -17.595 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.881 -1.132 -16.114 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.801 -1.624 -17.440 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.548 -1.952 -17.545 1.00 0.00 H new ATOM 995 N PRO A 62 18.210 -0.102 -20.127 1.00 0.00 N ATOM 996 CA PRO A 62 19.449 -0.704 -20.627 1.00 0.00 C ATOM 997 C PRO A 62 20.104 -1.620 -19.599 1.00 0.00 C ATOM 998 O PRO A 62 20.549 -1.168 -18.545 1.00 0.00 O ATOM 999 CB PRO A 62 20.342 0.507 -20.910 1.00 0.00 C ATOM 1000 CG PRO A 62 19.832 1.574 -20.004 1.00 0.00 C ATOM 1001 CD PRO A 62 18.350 1.344 -19.887 1.00 0.00 C ATOM 0 HA PRO A 62 19.273 -1.335 -21.499 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.389 0.283 -20.707 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.278 0.811 -21.955 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.314 1.520 -19.028 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.043 2.564 -20.409 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.976 1.626 -18.903 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.793 1.929 -20.619 1.00 0.00 H new ATOM 1009 N ALA A 63 20.160 -2.910 -19.914 1.00 0.00 N ATOM 1010 CA ALA A 63 20.763 -3.890 -19.018 1.00 0.00 C ATOM 1011 C ALA A 63 22.251 -3.615 -18.826 1.00 0.00 C ATOM 1012 O ALA A 63 22.883 -4.170 -17.928 1.00 0.00 O ATOM 1013 CB ALA A 63 20.550 -5.297 -19.555 1.00 0.00 C ATOM 0 H ALA A 63 19.795 -3.301 -20.783 1.00 0.00 H new ATOM 0 HA ALA A 63 20.276 -3.806 -18.047 1.00 0.00 H new ATOM 0 HB1 ALA A 63 21.005 -6.018 -18.876 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.482 -5.498 -19.635 1.00 0.00 H new ATOM 0 HB3 ALA A 63 21.010 -5.384 -20.539 1.00 0.00 H new ATOM 1019 N ALA A 64 22.804 -2.756 -19.676 1.00 0.00 N ATOM 1020 CA ALA A 64 24.217 -2.407 -19.599 1.00 0.00 C ATOM 1021 C ALA A 64 24.469 -1.375 -18.505 1.00 0.00 C ATOM 1022 O ALA A 64 25.590 -1.234 -18.017 1.00 0.00 O ATOM 1023 CB ALA A 64 24.706 -1.885 -20.942 1.00 0.00 C ATOM 0 H ALA A 64 22.295 -2.289 -20.426 1.00 0.00 H new ATOM 0 HA ALA A 64 24.775 -3.309 -19.347 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.763 -1.628 -20.870 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.571 -2.654 -21.702 1.00 0.00 H new ATOM 0 HB3 ALA A 64 24.135 -0.998 -21.217 1.00 0.00 H new ATOM 1029 N TYR A 65 23.419 -0.655 -18.125 1.00 0.00 N ATOM 1030 CA TYR A 65 23.527 0.367 -17.090 1.00 0.00 C ATOM 1031 C TYR A 65 22.842 -0.086 -15.804 1.00 0.00 C ATOM 1032 O TYR A 65 23.159 0.395 -14.716 1.00 0.00 O ATOM 1033 CB TYR A 65 22.911 1.680 -17.575 1.00 0.00 C ATOM 1034 CG TYR A 65 23.582 2.246 -18.806 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.936 2.039 -19.040 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.862 2.989 -19.734 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.553 2.555 -20.163 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.471 3.507 -20.860 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.817 3.288 -21.070 1.00 0.00 C ATOM 1040 OH TYR A 65 25.428 3.803 -22.190 1.00 0.00 O ATOM 0 H TYR A 65 22.484 -0.760 -18.518 1.00 0.00 H new ATOM 0 HA TYR A 65 24.585 0.526 -16.880 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.855 1.518 -17.789 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.965 2.415 -16.772 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.516 1.465 -18.332 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.809 3.164 -19.572 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.606 2.385 -20.330 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.897 4.081 -21.573 1.00 0.00 H new ATOM 0 HH TYR A 65 24.769 4.292 -22.726 1.00 0.00 H new ATOM 1050 N VAL A 66 21.901 -1.015 -15.938 1.00 0.00 N ATOM 1051 CA VAL A 66 21.172 -1.535 -14.787 1.00 0.00 C ATOM 1052 C VAL A 66 21.426 -3.027 -14.605 1.00 0.00 C ATOM 1053 O VAL A 66 21.462 -3.786 -15.574 1.00 0.00 O ATOM 1054 CB VAL A 66 19.657 -1.297 -14.929 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.364 0.184 -15.116 1.00 0.00 C ATOM 1056 CG2 VAL A 66 19.096 -2.109 -16.087 1.00 0.00 C ATOM 0 H VAL A 66 21.626 -1.423 -16.831 1.00 0.00 H new ATOM 0 HA VAL A 66 21.536 -0.998 -13.911 1.00 0.00 H new ATOM 0 HB VAL A 66 19.168 -1.627 -14.012 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.289 0.333 -15.215 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.729 0.739 -14.252 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.864 0.543 -16.016 1.00 0.00 H new ATOM 0 HG21 VAL A 66 18.024 -1.929 -16.172 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.589 -1.812 -17.012 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.272 -3.169 -15.907 1.00 0.00 H new ATOM 1066 N LYS A 67 21.600 -3.443 -13.355 1.00 0.00 N ATOM 1067 CA LYS A 67 21.849 -4.846 -13.042 1.00 0.00 C ATOM 1068 C LYS A 67 20.808 -5.378 -12.063 1.00 0.00 C ATOM 1069 O LYS A 67 20.469 -4.717 -11.081 1.00 0.00 O ATOM 1070 CB LYS A 67 23.252 -5.018 -12.455 1.00 0.00 C ATOM 1071 CG LYS A 67 23.504 -6.400 -11.878 1.00 0.00 C ATOM 1072 CD LYS A 67 24.990 -6.708 -11.800 1.00 0.00 C ATOM 1073 CE LYS A 67 25.668 -5.908 -10.698 1.00 0.00 C ATOM 1074 NZ LYS A 67 25.423 -6.498 -9.353 1.00 0.00 N ATOM 0 H LYS A 67 21.573 -2.828 -12.541 1.00 0.00 H new ATOM 0 HA LYS A 67 21.777 -5.417 -13.968 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.989 -4.818 -13.233 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.404 -4.274 -11.673 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.065 -6.465 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.008 -7.149 -12.495 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.133 -7.773 -11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.460 -6.482 -12.757 1.00 0.00 H new ATOM 0 HE2 LYS A 67 26.741 -5.867 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.302 -4.882 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 25.902 -5.924 -8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.401 -6.514 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 25.795 -7.469 -9.327 1.00 0.00 H new ATOM 1088 N LYS A 68 20.304 -6.576 -12.336 1.00 0.00 N ATOM 1089 CA LYS A 68 19.303 -7.200 -11.478 1.00 0.00 C ATOM 1090 C LYS A 68 19.843 -7.394 -10.065 1.00 0.00 C ATOM 1091 O LYS A 68 21.056 -7.458 -9.856 1.00 0.00 O ATOM 1092 CB LYS A 68 18.870 -8.547 -12.060 1.00 0.00 C ATOM 1093 CG LYS A 68 19.901 -9.648 -11.878 1.00 0.00 C ATOM 1094 CD LYS A 68 19.613 -10.836 -12.780 1.00 0.00 C ATOM 1095 CE LYS A 68 18.293 -11.502 -12.419 1.00 0.00 C ATOM 1096 NZ LYS A 68 18.255 -12.927 -12.848 1.00 0.00 N ATOM 0 H LYS A 68 20.572 -7.135 -13.146 1.00 0.00 H new ATOM 0 HA LYS A 68 18.438 -6.538 -11.430 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.936 -8.854 -11.589 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.665 -8.425 -13.124 1.00 0.00 H new ATOM 0 HG2 LYS A 68 20.895 -9.257 -12.096 1.00 0.00 H new ATOM 0 HG3 LYS A 68 19.908 -9.973 -10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.584 -10.507 -13.819 1.00 0.00 H new ATOM 0 HD3 LYS A 68 20.422 -11.561 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.139 -11.443 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.472 -10.960 -12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.340 -13.345 -12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.376 -12.982 -13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.022 -13.451 -12.381 1.00 0.00 H new