USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 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 114:sc= 0.901 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.0203 (180deg=-0.182) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -163:sc= -1.27 USER MOD Single : A 25 MET CE :methyl -130:sc= -16.3! (180deg=-20.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.239 K(o=0.24,f=-3.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0.182 (180deg=0.136) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.066 USER MOD Single : A 51 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.0046) USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= -0.364 (180deg=-1.97!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0363 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,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+ 125:sc= -0.12 (180deg=-1.29!) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 12.331 -8.912 -7.273 1.00 0.00 N ATOM 89 CA GLU A 7 13.568 -8.738 -8.025 1.00 0.00 C ATOM 90 C GLU A 7 13.769 -7.275 -8.412 1.00 0.00 C ATOM 91 O GLU A 7 13.144 -6.778 -9.350 1.00 0.00 O ATOM 92 CB GLU A 7 13.555 -9.612 -9.281 1.00 0.00 C ATOM 93 CG GLU A 7 14.940 -10.016 -9.757 1.00 0.00 C ATOM 94 CD GLU A 7 15.406 -11.326 -9.152 1.00 0.00 C ATOM 95 OE1 GLU A 7 14.927 -11.674 -8.052 1.00 0.00 O ATOM 96 OE2 GLU A 7 16.248 -12.002 -9.777 1.00 0.00 O ATOM 0 HA GLU A 7 14.397 -9.044 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.972 -10.511 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.047 -9.074 -10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.936 -10.103 -10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.651 -9.230 -9.503 1.00 0.00 H new ATOM 103 N LEU A 8 14.644 -6.592 -7.683 1.00 0.00 N ATOM 104 CA LEU A 8 14.927 -5.185 -7.948 1.00 0.00 C ATOM 105 C LEU A 8 16.262 -5.026 -8.670 1.00 0.00 C ATOM 106 O LEU A 8 17.151 -5.868 -8.548 1.00 0.00 O ATOM 107 CB LEU A 8 14.944 -4.393 -6.640 1.00 0.00 C ATOM 108 CG LEU A 8 13.587 -3.900 -6.136 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.194 -2.610 -6.839 1.00 0.00 C ATOM 110 CD2 LEU A 8 12.523 -4.968 -6.341 1.00 0.00 C ATOM 0 H LEU A 8 15.170 -6.989 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 8 14.138 -4.795 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.391 -5.017 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.596 -3.530 -6.770 1.00 0.00 H new ATOM 0 HG LEU A 8 13.668 -3.697 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.226 -2.274 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.944 -1.845 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.130 -2.786 -7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.564 -4.600 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.443 -5.202 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.799 -5.867 -5.791 1.00 0.00 H new ATOM 122 N VAL A 9 16.395 -3.938 -9.422 1.00 0.00 N ATOM 123 CA VAL A 9 17.622 -3.665 -10.161 1.00 0.00 C ATOM 124 C VAL A 9 18.114 -2.245 -9.906 1.00 0.00 C ATOM 125 O VAL A 9 17.317 -1.315 -9.774 1.00 0.00 O ATOM 126 CB VAL A 9 17.420 -3.862 -11.675 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.867 -5.249 -11.965 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.502 -2.786 -12.235 1.00 0.00 C ATOM 0 H VAL A 9 15.668 -3.231 -9.535 1.00 0.00 H new ATOM 0 HA VAL A 9 18.370 -4.374 -9.806 1.00 0.00 H new ATOM 0 HB VAL A 9 18.389 -3.773 -12.167 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.731 -5.369 -13.040 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.565 -6.003 -11.601 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.908 -5.371 -11.462 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.371 -2.941 -13.306 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.533 -2.840 -11.739 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.944 -1.805 -12.062 1.00 0.00 H new ATOM 138 N LEU A 10 19.431 -2.084 -9.837 1.00 0.00 N ATOM 139 CA LEU A 10 20.030 -0.776 -9.597 1.00 0.00 C ATOM 140 C LEU A 10 20.526 -0.158 -10.900 1.00 0.00 C ATOM 141 O LEU A 10 20.959 -0.865 -11.809 1.00 0.00 O ATOM 142 CB LEU A 10 21.187 -0.897 -8.604 1.00 0.00 C ATOM 143 CG LEU A 10 21.782 0.419 -8.103 1.00 0.00 C ATOM 144 CD1 LEU A 10 21.010 0.929 -6.896 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.254 0.242 -7.760 1.00 0.00 C ATOM 0 H LEU A 10 20.104 -2.843 -9.944 1.00 0.00 H new ATOM 0 HA LEU A 10 19.264 -0.125 -9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.841 -1.468 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 10 21.982 -1.477 -9.072 1.00 0.00 H new ATOM 0 HG LEU A 10 21.701 1.159 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 10 21.448 1.866 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 10 19.969 1.095 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.059 0.192 -6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 10 23.661 1.189 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.358 -0.513 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 10 23.799 -0.077 -8.649 1.00 0.00 H new ATOM 157 N ALA A 11 20.462 1.167 -10.983 1.00 0.00 N ATOM 158 CA ALA A 11 20.909 1.881 -12.172 1.00 0.00 C ATOM 159 C ALA A 11 22.356 2.340 -12.027 1.00 0.00 C ATOM 160 O ALA A 11 22.636 3.350 -11.381 1.00 0.00 O ATOM 161 CB ALA A 11 20.001 3.071 -12.446 1.00 0.00 C ATOM 0 H ALA A 11 20.105 1.768 -10.240 1.00 0.00 H new ATOM 0 HA ALA A 11 20.856 1.195 -13.018 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.347 3.595 -13.337 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.981 2.721 -12.604 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.024 3.750 -11.594 1.00 0.00 H new ATOM 167 N LEU A 12 23.273 1.590 -12.630 1.00 0.00 N ATOM 168 CA LEU A 12 24.692 1.920 -12.566 1.00 0.00 C ATOM 169 C LEU A 12 24.960 3.294 -13.171 1.00 0.00 C ATOM 170 O LEU A 12 25.637 4.128 -12.568 1.00 0.00 O ATOM 171 CB LEU A 12 25.515 0.858 -13.299 1.00 0.00 C ATOM 172 CG LEU A 12 25.222 -0.595 -12.924 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.842 -1.543 -13.939 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.735 -0.899 -11.524 1.00 0.00 C ATOM 0 H LEU A 12 23.059 0.750 -13.168 1.00 0.00 H new ATOM 0 HA LEU A 12 24.988 1.942 -11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.352 0.976 -14.370 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.571 1.054 -13.114 1.00 0.00 H new ATOM 0 HG LEU A 12 24.142 -0.742 -12.933 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.623 -2.573 -13.656 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.426 -1.342 -14.926 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.922 -1.395 -13.963 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.518 -1.938 -11.274 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.812 -0.735 -11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.243 -0.243 -10.806 1.00 0.00 H new ATOM 186 N TYR A 13 24.423 3.524 -14.364 1.00 0.00 N ATOM 187 CA TYR A 13 24.605 4.798 -15.051 1.00 0.00 C ATOM 188 C TYR A 13 23.259 5.439 -15.374 1.00 0.00 C ATOM 189 O TYR A 13 22.278 4.746 -15.646 1.00 0.00 O ATOM 190 CB TYR A 13 25.409 4.597 -16.337 1.00 0.00 C ATOM 191 CG TYR A 13 26.741 3.917 -16.118 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.839 4.630 -15.651 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.903 2.562 -16.380 1.00 0.00 C ATOM 194 CE1 TYR A 13 29.058 4.013 -15.451 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.119 1.937 -16.181 1.00 0.00 C ATOM 196 CZ TYR A 13 29.193 2.667 -15.716 1.00 0.00 C ATOM 197 OH TYR A 13 30.406 2.048 -15.518 1.00 0.00 O ATOM 0 H TYR A 13 23.858 2.846 -14.875 1.00 0.00 H new ATOM 0 HA TYR A 13 25.155 5.465 -14.387 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.819 4.004 -17.036 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.578 5.567 -16.805 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.737 5.684 -15.441 1.00 0.00 H new ATOM 0 HD2 TYR A 13 26.064 1.988 -16.745 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.901 4.582 -15.089 1.00 0.00 H new ATOM 0 HE2 TYR A 13 28.228 0.883 -16.388 1.00 0.00 H new ATOM 0 HH TYR A 13 30.331 1.099 -15.751 1.00 0.00 H new ATOM 207 N ASP A 14 23.220 6.766 -15.342 1.00 0.00 N ATOM 208 CA ASP A 14 21.996 7.503 -15.633 1.00 0.00 C ATOM 209 C ASP A 14 21.518 7.224 -17.054 1.00 0.00 C ATOM 210 O ASP A 14 22.280 6.741 -17.893 1.00 0.00 O ATOM 211 CB ASP A 14 22.222 9.004 -15.443 1.00 0.00 C ATOM 212 CG ASP A 14 23.036 9.614 -16.567 1.00 0.00 C ATOM 213 OD1 ASP A 14 24.102 9.055 -16.897 1.00 0.00 O ATOM 214 OD2 ASP A 14 22.606 10.650 -17.116 1.00 0.00 O ATOM 0 H ASP A 14 24.023 7.354 -15.117 1.00 0.00 H new ATOM 0 HA ASP A 14 21.226 7.168 -14.938 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.258 9.509 -15.381 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.732 9.174 -14.495 1.00 0.00 H new ATOM 219 N TYR A 15 20.253 7.530 -17.318 1.00 0.00 N ATOM 220 CA TYR A 15 19.672 7.308 -18.637 1.00 0.00 C ATOM 221 C TYR A 15 18.756 8.463 -19.030 1.00 0.00 C ATOM 222 O TYR A 15 18.514 9.374 -18.239 1.00 0.00 O ATOM 223 CB TYR A 15 18.891 5.993 -18.660 1.00 0.00 C ATOM 224 CG TYR A 15 18.846 5.339 -20.022 1.00 0.00 C ATOM 225 CD1 TYR A 15 20.013 5.085 -20.732 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.636 4.975 -20.600 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.977 4.488 -21.977 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.590 4.377 -21.844 1.00 0.00 C ATOM 229 CZ TYR A 15 18.763 4.135 -22.529 1.00 0.00 C ATOM 230 OH TYR A 15 18.721 3.540 -23.769 1.00 0.00 O ATOM 0 H TYR A 15 19.610 7.933 -16.636 1.00 0.00 H new ATOM 0 HA TYR A 15 20.486 7.251 -19.359 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.341 5.301 -17.949 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.872 6.180 -18.322 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.965 5.359 -20.303 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.716 5.163 -20.067 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.894 4.299 -22.515 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.641 4.100 -22.278 1.00 0.00 H new ATOM 0 HH TYR A 15 18.396 2.620 -23.679 1.00 0.00 H new ATOM 240 N GLN A 16 18.251 8.417 -20.259 1.00 0.00 N ATOM 241 CA GLN A 16 17.362 9.460 -20.758 1.00 0.00 C ATOM 242 C GLN A 16 16.401 8.901 -21.803 1.00 0.00 C ATOM 243 O GLN A 16 16.728 8.837 -22.987 1.00 0.00 O ATOM 244 CB GLN A 16 18.174 10.609 -21.357 1.00 0.00 C ATOM 245 CG GLN A 16 17.871 11.960 -20.730 1.00 0.00 C ATOM 246 CD GLN A 16 18.975 12.436 -19.807 1.00 0.00 C ATOM 247 OE1 GLN A 16 20.127 12.574 -20.218 1.00 0.00 O ATOM 248 NE2 GLN A 16 18.628 12.691 -18.550 1.00 0.00 N ATOM 0 H GLN A 16 18.442 7.670 -20.927 1.00 0.00 H new ATOM 0 HA GLN A 16 16.778 9.837 -19.918 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.236 10.393 -21.239 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.977 10.662 -22.428 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.720 12.697 -21.519 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.938 11.896 -20.171 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.661 12.563 -18.252 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.329 13.015 -17.883 1.00 0.00 H new ATOM 257 N GLU A 17 15.216 8.499 -21.355 1.00 0.00 N ATOM 258 CA GLU A 17 14.209 7.945 -22.253 1.00 0.00 C ATOM 259 C GLU A 17 13.968 8.874 -23.439 1.00 0.00 C ATOM 260 O GLU A 17 14.020 10.097 -23.306 1.00 0.00 O ATOM 261 CB GLU A 17 12.897 7.710 -21.500 1.00 0.00 C ATOM 262 CG GLU A 17 12.277 8.981 -20.945 1.00 0.00 C ATOM 263 CD GLU A 17 11.044 8.710 -20.105 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.118 8.042 -20.610 1.00 0.00 O ATOM 265 OE2 GLU A 17 11.006 9.166 -18.943 1.00 0.00 O ATOM 0 H GLU A 17 14.930 8.546 -20.377 1.00 0.00 H new ATOM 0 HA GLU A 17 14.579 6.992 -22.630 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.184 7.231 -22.171 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.078 7.016 -20.679 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.016 9.507 -20.340 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.012 9.642 -21.770 1.00 0.00 H new ATOM 272 N LYS A 18 13.704 8.285 -24.600 1.00 0.00 N ATOM 273 CA LYS A 18 13.454 9.057 -25.811 1.00 0.00 C ATOM 274 C LYS A 18 11.994 8.942 -26.238 1.00 0.00 C ATOM 275 O LYS A 18 11.471 9.810 -26.938 1.00 0.00 O ATOM 276 CB LYS A 18 14.366 8.579 -26.943 1.00 0.00 C ATOM 277 CG LYS A 18 14.440 7.067 -27.068 1.00 0.00 C ATOM 278 CD LYS A 18 15.593 6.497 -26.258 1.00 0.00 C ATOM 279 CE LYS A 18 16.101 5.193 -26.855 1.00 0.00 C ATOM 280 NZ LYS A 18 16.841 5.417 -28.128 1.00 0.00 N ATOM 0 H LYS A 18 13.658 7.274 -24.728 1.00 0.00 H new ATOM 0 HA LYS A 18 13.670 10.103 -25.596 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.010 8.996 -27.885 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.370 8.971 -26.780 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.503 6.626 -26.728 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.560 6.793 -28.116 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.406 7.222 -26.220 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.269 6.327 -25.231 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.754 4.695 -26.138 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.259 4.525 -27.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.408 4.575 -28.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.163 5.593 -28.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.469 6.240 -28.024 1.00 0.00 H new ATOM 294 N SER A 19 11.340 7.866 -25.811 1.00 0.00 N ATOM 295 CA SER A 19 9.941 7.636 -26.152 1.00 0.00 C ATOM 296 C SER A 19 9.086 7.533 -24.892 1.00 0.00 C ATOM 297 O SER A 19 9.582 7.284 -23.793 1.00 0.00 O ATOM 298 CB SER A 19 9.799 6.361 -26.985 1.00 0.00 C ATOM 299 OG SER A 19 9.898 6.643 -28.370 1.00 0.00 O ATOM 0 H SER A 19 11.757 7.140 -25.228 1.00 0.00 H new ATOM 0 HA SER A 19 9.591 8.485 -26.740 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.573 5.648 -26.700 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.839 5.890 -26.774 1.00 0.00 H new ATOM 0 HG SER A 19 9.806 5.812 -28.881 1.00 0.00 H new ATOM 305 N PRO A 20 7.769 7.728 -25.055 1.00 0.00 N ATOM 306 CA PRO A 20 6.816 7.661 -23.943 1.00 0.00 C ATOM 307 C PRO A 20 6.639 6.241 -23.415 1.00 0.00 C ATOM 308 O PRO A 20 6.128 6.037 -22.314 1.00 0.00 O ATOM 309 CB PRO A 20 5.511 8.166 -24.564 1.00 0.00 C ATOM 310 CG PRO A 20 5.647 7.877 -26.019 1.00 0.00 C ATOM 311 CD PRO A 20 7.109 8.028 -26.336 1.00 0.00 C ATOM 0 HA PRO A 20 7.150 8.244 -23.085 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.647 7.656 -24.138 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.373 9.232 -24.383 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.299 6.870 -26.251 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.046 8.566 -26.612 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.423 7.340 -27.121 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.343 9.035 -26.683 1.00 0.00 H new ATOM 319 N ARG A 21 7.067 5.263 -24.207 1.00 0.00 N ATOM 320 CA ARG A 21 6.955 3.862 -23.820 1.00 0.00 C ATOM 321 C ARG A 21 8.160 3.430 -22.989 1.00 0.00 C ATOM 322 O ARG A 21 8.062 2.528 -22.158 1.00 0.00 O ATOM 323 CB ARG A 21 6.833 2.976 -25.060 1.00 0.00 C ATOM 324 CG ARG A 21 6.026 1.709 -24.827 1.00 0.00 C ATOM 325 CD ARG A 21 4.531 1.987 -24.856 1.00 0.00 C ATOM 326 NE ARG A 21 4.093 2.485 -26.157 1.00 0.00 N ATOM 327 CZ ARG A 21 2.840 2.837 -26.425 1.00 0.00 C ATOM 328 NH1 ARG A 21 1.907 2.746 -25.488 1.00 0.00 N ATOM 329 NH2 ARG A 21 2.519 3.282 -27.633 1.00 0.00 N ATOM 0 H ARG A 21 7.494 5.415 -25.120 1.00 0.00 H new ATOM 0 HA ARG A 21 6.057 3.750 -23.213 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.369 3.550 -25.862 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.832 2.703 -25.401 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.275 0.972 -25.591 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.298 1.275 -23.865 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.987 1.073 -24.616 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.283 2.717 -24.086 1.00 0.00 H new ATOM 0 HE ARG A 21 4.787 2.567 -26.900 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.150 2.405 -24.558 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.946 3.017 -25.697 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.234 3.354 -28.357 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.557 3.552 -27.838 1.00 0.00 H new ATOM 343 N GLU A 22 9.296 4.080 -23.222 1.00 0.00 N ATOM 344 CA GLU A 22 10.520 3.761 -22.496 1.00 0.00 C ATOM 345 C GLU A 22 10.590 4.532 -21.181 1.00 0.00 C ATOM 346 O GLU A 22 9.812 5.458 -20.950 1.00 0.00 O ATOM 347 CB GLU A 22 11.746 4.082 -23.354 1.00 0.00 C ATOM 348 CG GLU A 22 12.988 3.303 -22.956 1.00 0.00 C ATOM 349 CD GLU A 22 13.811 2.866 -24.152 1.00 0.00 C ATOM 350 OE1 GLU A 22 13.239 2.236 -25.066 1.00 0.00 O ATOM 351 OE2 GLU A 22 15.026 3.152 -24.174 1.00 0.00 O ATOM 0 H GLU A 22 9.394 4.830 -23.907 1.00 0.00 H new ATOM 0 HA GLU A 22 10.511 2.694 -22.271 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.514 3.871 -24.398 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.959 5.149 -23.284 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.604 3.919 -22.301 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.693 2.424 -22.382 1.00 0.00 H new ATOM 358 N VAL A 23 11.527 4.143 -20.323 1.00 0.00 N ATOM 359 CA VAL A 23 11.699 4.797 -19.031 1.00 0.00 C ATOM 360 C VAL A 23 13.129 5.296 -18.854 1.00 0.00 C ATOM 361 O VAL A 23 13.970 5.134 -19.739 1.00 0.00 O ATOM 362 CB VAL A 23 11.351 3.847 -17.870 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.843 3.712 -17.724 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.998 2.487 -18.083 1.00 0.00 C ATOM 0 H VAL A 23 12.179 3.378 -20.499 1.00 0.00 H new ATOM 0 HA VAL A 23 11.016 5.646 -19.013 1.00 0.00 H new ATOM 0 HB VAL A 23 11.745 4.271 -16.946 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.616 3.037 -16.899 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.408 4.691 -17.522 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.423 3.311 -18.646 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.742 1.828 -17.253 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.636 2.054 -19.015 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.081 2.603 -18.133 1.00 0.00 H new ATOM 374 N THR A 24 13.400 5.904 -17.703 1.00 0.00 N ATOM 375 CA THR A 24 14.728 6.427 -17.409 1.00 0.00 C ATOM 376 C THR A 24 15.089 6.218 -15.943 1.00 0.00 C ATOM 377 O THR A 24 14.220 5.961 -15.110 1.00 0.00 O ATOM 378 CB THR A 24 14.826 7.928 -17.741 1.00 0.00 C ATOM 379 OG1 THR A 24 16.198 8.304 -17.910 1.00 0.00 O ATOM 380 CG2 THR A 24 14.197 8.768 -16.640 1.00 0.00 C ATOM 0 H THR A 24 12.717 6.046 -16.959 1.00 0.00 H new ATOM 0 HA THR A 24 15.430 5.877 -18.035 1.00 0.00 H new ATOM 0 HB THR A 24 14.283 8.108 -18.669 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.279 9.279 -17.855 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.278 9.824 -16.897 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.146 8.500 -16.534 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.716 8.582 -15.699 1.00 0.00 H new ATOM 388 N MET A 25 16.377 6.330 -15.634 1.00 0.00 N ATOM 389 CA MET A 25 16.852 6.155 -14.266 1.00 0.00 C ATOM 390 C MET A 25 18.033 7.076 -13.979 1.00 0.00 C ATOM 391 O MET A 25 18.682 7.576 -14.898 1.00 0.00 O ATOM 392 CB MET A 25 17.255 4.699 -14.026 1.00 0.00 C ATOM 393 CG MET A 25 16.276 3.693 -14.610 1.00 0.00 C ATOM 394 SD MET A 25 16.786 1.986 -14.330 1.00 0.00 S ATOM 395 CE MET A 25 15.225 1.130 -14.533 1.00 0.00 C ATOM 0 H MET A 25 17.110 6.541 -16.312 1.00 0.00 H new ATOM 0 HA MET A 25 16.038 6.415 -13.589 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.241 4.527 -14.458 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.343 4.527 -12.953 1.00 0.00 H new ATOM 0 HG2 MET A 25 15.292 3.851 -14.169 1.00 0.00 H new ATOM 0 HG3 MET A 25 16.177 3.868 -15.681 1.00 0.00 H new ATOM 0 HE1 MET A 25 15.063 0.463 -13.686 1.00 0.00 H new ATOM 0 HE2 MET A 25 14.415 1.857 -14.582 1.00 0.00 H new ATOM 0 HE3 MET A 25 15.246 0.548 -15.454 1.00 0.00 H new ATOM 405 N LYS A 26 18.308 7.297 -12.698 1.00 0.00 N ATOM 406 CA LYS A 26 19.411 8.158 -12.288 1.00 0.00 C ATOM 407 C LYS A 26 20.523 7.343 -11.636 1.00 0.00 C ATOM 408 O LYS A 26 20.294 6.232 -11.157 1.00 0.00 O ATOM 409 CB LYS A 26 18.915 9.232 -11.318 1.00 0.00 C ATOM 410 CG LYS A 26 19.678 10.541 -11.418 1.00 0.00 C ATOM 411 CD LYS A 26 18.916 11.682 -10.765 1.00 0.00 C ATOM 412 CE LYS A 26 19.212 11.770 -9.276 1.00 0.00 C ATOM 413 NZ LYS A 26 19.022 13.151 -8.753 1.00 0.00 N ATOM 0 H LYS A 26 17.781 6.891 -11.925 1.00 0.00 H new ATOM 0 HA LYS A 26 19.812 8.641 -13.179 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.859 9.422 -11.508 1.00 0.00 H new ATOM 0 HB3 LYS A 26 18.992 8.853 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.652 10.433 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 26 19.861 10.777 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 26 19.184 12.622 -11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.846 11.540 -10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.560 11.084 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 26 20.237 11.449 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.234 13.169 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.662 13.802 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.037 13.448 -8.907 1.00 0.00 H new ATOM 427 N LYS A 27 21.729 7.902 -11.619 1.00 0.00 N ATOM 428 CA LYS A 27 22.876 7.229 -11.022 1.00 0.00 C ATOM 429 C LYS A 27 22.564 6.780 -9.599 1.00 0.00 C ATOM 430 O LYS A 27 22.490 7.596 -8.682 1.00 0.00 O ATOM 431 CB LYS A 27 24.093 8.157 -11.020 1.00 0.00 C ATOM 432 CG LYS A 27 24.442 8.707 -12.393 1.00 0.00 C ATOM 433 CD LYS A 27 24.133 10.191 -12.494 1.00 0.00 C ATOM 434 CE LYS A 27 25.124 10.906 -13.400 1.00 0.00 C ATOM 435 NZ LYS A 27 26.187 11.599 -12.621 1.00 0.00 N ATOM 0 H LYS A 27 21.937 8.820 -12.012 1.00 0.00 H new ATOM 0 HA LYS A 27 23.100 6.346 -11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 27 23.904 8.989 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.952 7.614 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 27 25.500 8.540 -12.595 1.00 0.00 H new ATOM 0 HG3 LYS A 27 23.883 8.165 -13.156 1.00 0.00 H new ATOM 0 HD2 LYS A 27 23.122 10.328 -12.879 1.00 0.00 H new ATOM 0 HD3 LYS A 27 24.159 10.638 -11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.582 10.185 -14.078 1.00 0.00 H new ATOM 0 HE3 LYS A 27 24.594 11.632 -14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.842 12.074 -13.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 25.753 12.304 -11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.710 10.903 -12.052 1.00 0.00 H new ATOM 449 N GLY A 28 22.384 5.474 -9.421 1.00 0.00 N ATOM 450 CA GLY A 28 22.083 4.939 -8.106 1.00 0.00 C ATOM 451 C GLY A 28 20.595 4.758 -7.880 1.00 0.00 C ATOM 452 O GLY A 28 20.134 4.726 -6.739 1.00 0.00 O ATOM 0 H GLY A 28 22.441 4.778 -10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.585 3.979 -7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.484 5.608 -7.345 1.00 0.00 H new ATOM 456 N ASP A 29 19.843 4.642 -8.968 1.00 0.00 N ATOM 457 CA ASP A 29 18.398 4.465 -8.883 1.00 0.00 C ATOM 458 C ASP A 29 18.040 2.989 -8.735 1.00 0.00 C ATOM 459 O ASP A 29 18.874 2.112 -8.961 1.00 0.00 O ATOM 460 CB ASP A 29 17.718 5.045 -10.124 1.00 0.00 C ATOM 461 CG ASP A 29 16.211 5.128 -9.973 1.00 0.00 C ATOM 462 OD1 ASP A 29 15.736 5.233 -8.823 1.00 0.00 O ATOM 463 OD2 ASP A 29 15.508 5.087 -11.004 1.00 0.00 O ATOM 0 H ASP A 29 20.210 4.667 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 29 18.042 4.998 -8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.116 6.040 -10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.960 4.428 -10.989 1.00 0.00 H new ATOM 468 N ILE A 30 16.795 2.723 -8.352 1.00 0.00 N ATOM 469 CA ILE A 30 16.328 1.355 -8.173 1.00 0.00 C ATOM 470 C ILE A 30 14.903 1.188 -8.691 1.00 0.00 C ATOM 471 O ILE A 30 14.020 1.988 -8.378 1.00 0.00 O ATOM 472 CB ILE A 30 16.376 0.932 -6.693 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.794 1.093 -6.140 1.00 0.00 C ATOM 474 CG2 ILE A 30 15.901 -0.505 -6.536 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.915 0.737 -4.675 1.00 0.00 C ATOM 0 H ILE A 30 16.093 3.437 -8.160 1.00 0.00 H new ATOM 0 HA ILE A 30 16.999 0.716 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 30 15.708 1.579 -6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.473 0.464 -6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.116 2.124 -6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.941 -0.789 -5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.876 -0.591 -6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.545 -1.167 -7.115 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.947 0.875 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.261 1.383 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.624 -0.303 -4.528 1.00 0.00 H new ATOM 487 N LEU A 31 14.686 0.144 -9.483 1.00 0.00 N ATOM 488 CA LEU A 31 13.367 -0.129 -10.044 1.00 0.00 C ATOM 489 C LEU A 31 13.007 -1.604 -9.894 1.00 0.00 C ATOM 490 O LEU A 31 13.881 -2.471 -9.895 1.00 0.00 O ATOM 491 CB LEU A 31 13.326 0.271 -11.520 1.00 0.00 C ATOM 492 CG LEU A 31 13.400 1.770 -11.811 1.00 0.00 C ATOM 493 CD1 LEU A 31 12.406 2.531 -10.948 1.00 0.00 C ATOM 494 CD2 LEU A 31 14.813 2.288 -11.585 1.00 0.00 C ATOM 0 H LEU A 31 15.406 -0.527 -9.751 1.00 0.00 H new ATOM 0 HA LEU A 31 12.635 0.462 -9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.154 -0.219 -12.032 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.406 -0.119 -11.956 1.00 0.00 H new ATOM 0 HG LEU A 31 13.139 1.931 -12.857 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.473 3.596 -11.169 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.396 2.179 -11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.635 2.364 -9.896 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.847 3.357 -11.797 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.103 2.114 -10.549 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.503 1.765 -12.247 1.00 0.00 H new ATOM 506 N THR A 32 11.713 -1.882 -9.768 1.00 0.00 N ATOM 507 CA THR A 32 11.236 -3.251 -9.619 1.00 0.00 C ATOM 508 C THR A 32 11.160 -3.956 -10.968 1.00 0.00 C ATOM 509 O THR A 32 10.630 -3.411 -11.937 1.00 0.00 O ATOM 510 CB THR A 32 9.849 -3.293 -8.952 1.00 0.00 C ATOM 511 OG1 THR A 32 9.535 -2.013 -8.392 1.00 0.00 O ATOM 512 CG2 THR A 32 9.805 -4.354 -7.862 1.00 0.00 C ATOM 0 H THR A 32 10.976 -1.176 -9.766 1.00 0.00 H new ATOM 0 HA THR A 32 11.953 -3.768 -8.982 1.00 0.00 H new ATOM 0 HB THR A 32 9.112 -3.546 -9.714 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.651 -2.048 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.816 -4.365 -7.405 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.015 -5.331 -8.297 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.553 -4.127 -7.102 1.00 0.00 H new ATOM 520 N LEU A 33 11.693 -5.172 -11.026 1.00 0.00 N ATOM 521 CA LEU A 33 11.685 -5.954 -12.257 1.00 0.00 C ATOM 522 C LEU A 33 10.303 -6.545 -12.518 1.00 0.00 C ATOM 523 O LEU A 33 9.673 -7.099 -11.616 1.00 0.00 O ATOM 524 CB LEU A 33 12.725 -7.073 -12.181 1.00 0.00 C ATOM 525 CG LEU A 33 13.206 -7.634 -13.520 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.094 -8.415 -14.203 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.703 -6.512 -14.420 1.00 0.00 C ATOM 0 H LEU A 33 12.136 -5.638 -10.234 1.00 0.00 H new ATOM 0 HA LEU A 33 11.937 -5.288 -13.083 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.591 -6.700 -11.634 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.306 -7.892 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 33 14.035 -8.315 -13.330 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.455 -8.806 -15.154 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.785 -9.242 -13.564 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.244 -7.757 -14.381 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.041 -6.929 -15.368 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.893 -5.806 -14.603 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.531 -5.996 -13.934 1.00 0.00 H new ATOM 539 N LEU A 34 9.838 -6.425 -13.757 1.00 0.00 N ATOM 540 CA LEU A 34 8.531 -6.950 -14.138 1.00 0.00 C ATOM 541 C LEU A 34 8.675 -8.126 -15.097 1.00 0.00 C ATOM 542 O LEU A 34 8.043 -9.166 -14.920 1.00 0.00 O ATOM 543 CB LEU A 34 7.687 -5.850 -14.784 1.00 0.00 C ATOM 544 CG LEU A 34 6.758 -5.078 -13.846 1.00 0.00 C ATOM 545 CD1 LEU A 34 5.665 -5.989 -13.309 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.549 -4.459 -12.703 1.00 0.00 C ATOM 0 H LEU A 34 10.346 -5.969 -14.515 1.00 0.00 H new ATOM 0 HA LEU A 34 8.030 -7.301 -13.236 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.359 -5.138 -15.264 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.083 -6.299 -15.572 1.00 0.00 H new ATOM 0 HG LEU A 34 6.287 -4.274 -14.412 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.014 -5.423 -12.643 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.080 -6.384 -14.140 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.117 -6.814 -12.759 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.872 -3.914 -12.046 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.048 -5.246 -12.138 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.294 -3.773 -13.106 1.00 0.00 H new ATOM 558 N ASN A 35 9.514 -7.955 -16.114 1.00 0.00 N ATOM 559 CA ASN A 35 9.743 -9.004 -17.101 1.00 0.00 C ATOM 560 C ASN A 35 11.186 -8.978 -17.598 1.00 0.00 C ATOM 561 O ASN A 35 11.607 -8.032 -18.264 1.00 0.00 O ATOM 562 CB ASN A 35 8.783 -8.841 -18.281 1.00 0.00 C ATOM 563 CG ASN A 35 7.656 -9.855 -18.254 1.00 0.00 C ATOM 564 OD1 ASN A 35 6.514 -9.522 -17.938 1.00 0.00 O ATOM 565 ND2 ASN A 35 7.974 -11.101 -18.586 1.00 0.00 N ATOM 0 H ASN A 35 10.046 -7.100 -16.276 1.00 0.00 H new ATOM 0 HA ASN A 35 9.559 -9.966 -16.622 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.363 -7.835 -18.268 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.338 -8.943 -19.214 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.258 -11.827 -18.586 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.934 -11.332 -18.841 1.00 0.00 H new ATOM 572 N SER A 36 11.938 -10.023 -17.269 1.00 0.00 N ATOM 573 CA SER A 36 13.334 -10.119 -17.678 1.00 0.00 C ATOM 574 C SER A 36 13.523 -11.229 -18.708 1.00 0.00 C ATOM 575 O SER A 36 14.563 -11.886 -18.748 1.00 0.00 O ATOM 576 CB SER A 36 14.227 -10.379 -16.463 1.00 0.00 C ATOM 577 OG SER A 36 13.668 -11.373 -15.623 1.00 0.00 O ATOM 0 H SER A 36 11.604 -10.815 -16.720 1.00 0.00 H new ATOM 0 HA SER A 36 13.619 -9.171 -18.134 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.216 -10.694 -16.795 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.359 -9.455 -15.900 1.00 0.00 H new ATOM 0 HG SER A 36 14.258 -11.522 -14.855 1.00 0.00 H new ATOM 583 N THR A 37 12.508 -11.432 -19.543 1.00 0.00 N ATOM 584 CA THR A 37 12.560 -12.461 -20.573 1.00 0.00 C ATOM 585 C THR A 37 13.659 -12.168 -21.588 1.00 0.00 C ATOM 586 O THR A 37 14.180 -13.078 -22.232 1.00 0.00 O ATOM 587 CB THR A 37 11.214 -12.585 -21.312 1.00 0.00 C ATOM 588 OG1 THR A 37 11.323 -13.542 -22.371 1.00 0.00 O ATOM 589 CG2 THR A 37 10.782 -11.241 -21.878 1.00 0.00 C ATOM 0 H THR A 37 11.640 -10.897 -19.525 1.00 0.00 H new ATOM 0 HA THR A 37 12.777 -13.402 -20.068 1.00 0.00 H new ATOM 0 HB THR A 37 10.462 -12.919 -20.598 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.463 -13.616 -22.835 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.829 -11.353 -22.395 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.671 -10.523 -21.066 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.535 -10.882 -22.579 1.00 0.00 H new ATOM 597 N ASN A 38 14.006 -10.893 -21.726 1.00 0.00 N ATOM 598 CA ASN A 38 15.044 -10.480 -22.664 1.00 0.00 C ATOM 599 C ASN A 38 16.385 -10.317 -21.954 1.00 0.00 C ATOM 600 O ASN A 38 16.462 -10.382 -20.727 1.00 0.00 O ATOM 601 CB ASN A 38 14.652 -9.168 -23.346 1.00 0.00 C ATOM 602 CG ASN A 38 15.096 -9.115 -24.795 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.198 -8.661 -25.103 1.00 0.00 O ATOM 604 ND2 ASN A 38 14.236 -9.581 -25.694 1.00 0.00 N ATOM 0 H ASN A 38 13.584 -10.128 -21.200 1.00 0.00 H new ATOM 0 HA ASN A 38 15.146 -11.258 -23.421 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.570 -9.044 -23.295 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.094 -8.333 -22.803 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.479 -9.572 -26.685 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.333 -9.948 -25.394 1.00 0.00 H new ATOM 611 N LYS A 39 17.439 -10.103 -22.734 1.00 0.00 N ATOM 612 CA LYS A 39 18.777 -9.928 -22.182 1.00 0.00 C ATOM 613 C LYS A 39 19.306 -8.527 -22.471 1.00 0.00 C ATOM 614 O LYS A 39 20.151 -8.008 -21.741 1.00 0.00 O ATOM 615 CB LYS A 39 19.731 -10.974 -22.761 1.00 0.00 C ATOM 616 CG LYS A 39 20.066 -10.748 -24.225 1.00 0.00 C ATOM 617 CD LYS A 39 21.425 -10.088 -24.391 1.00 0.00 C ATOM 618 CE LYS A 39 22.549 -11.112 -24.359 1.00 0.00 C ATOM 619 NZ LYS A 39 22.748 -11.759 -25.685 1.00 0.00 N ATOM 0 H LYS A 39 17.392 -10.047 -23.751 1.00 0.00 H new ATOM 0 HA LYS A 39 18.717 -10.059 -21.102 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.654 -10.972 -22.181 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.285 -11.962 -22.647 1.00 0.00 H new ATOM 0 HG2 LYS A 39 20.057 -11.702 -24.753 1.00 0.00 H new ATOM 0 HG3 LYS A 39 19.299 -10.123 -24.682 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.454 -9.544 -25.335 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.575 -9.357 -23.597 1.00 0.00 H new ATOM 0 HE2 LYS A 39 23.474 -10.626 -24.050 1.00 0.00 H new ATOM 0 HE3 LYS A 39 22.325 -11.874 -23.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 23.523 -12.450 -25.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.873 -12.245 -25.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 22.987 -11.035 -26.392 1.00 0.00 H new ATOM 633 N ASP A 40 18.803 -7.919 -23.540 1.00 0.00 N ATOM 634 CA ASP A 40 19.223 -6.576 -23.925 1.00 0.00 C ATOM 635 C ASP A 40 18.524 -5.523 -23.071 1.00 0.00 C ATOM 636 O ASP A 40 19.175 -4.708 -22.416 1.00 0.00 O ATOM 637 CB ASP A 40 18.926 -6.330 -25.405 1.00 0.00 C ATOM 638 CG ASP A 40 19.775 -7.193 -26.317 1.00 0.00 C ATOM 639 OD1 ASP A 40 19.524 -8.414 -26.381 1.00 0.00 O ATOM 640 OD2 ASP A 40 20.692 -6.647 -26.966 1.00 0.00 O ATOM 0 H ASP A 40 18.104 -8.335 -24.155 1.00 0.00 H new ATOM 0 HA ASP A 40 20.298 -6.497 -23.761 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.872 -6.529 -25.599 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.100 -5.280 -25.638 1.00 0.00 H new ATOM 645 N TRP A 41 17.196 -5.544 -23.083 1.00 0.00 N ATOM 646 CA TRP A 41 16.409 -4.590 -22.311 1.00 0.00 C ATOM 647 C TRP A 41 15.465 -5.310 -21.355 1.00 0.00 C ATOM 648 O TRP A 41 14.858 -6.320 -21.711 1.00 0.00 O ATOM 649 CB TRP A 41 15.611 -3.680 -23.246 1.00 0.00 C ATOM 650 CG TRP A 41 16.451 -3.037 -24.309 1.00 0.00 C ATOM 651 CD1 TRP A 41 16.917 -3.623 -25.450 1.00 0.00 C ATOM 652 CD2 TRP A 41 16.924 -1.686 -24.326 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.653 -2.718 -26.177 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.671 -1.522 -25.509 1.00 0.00 C ATOM 655 CE3 TRP A 41 16.788 -0.599 -23.459 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.279 -0.315 -25.843 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.392 0.598 -23.792 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.130 0.733 -24.976 1.00 0.00 C ATOM 0 H TRP A 41 16.642 -6.212 -23.619 1.00 0.00 H new ATOM 0 HA TRP A 41 17.097 -3.982 -21.723 1.00 0.00 H new ATOM 0 HB2 TRP A 41 14.820 -4.262 -23.720 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.125 -2.902 -22.657 1.00 0.00 H new ATOM 0 HD1 TRP A 41 16.734 -4.647 -25.739 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.111 -2.906 -27.069 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.221 -0.693 -22.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 18.848 -0.210 -26.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.294 1.444 -23.129 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.590 1.682 -25.208 1.00 0.00 H new ATOM 669 N TRP A 42 15.346 -4.786 -20.141 1.00 0.00 N ATOM 670 CA TRP A 42 14.475 -5.380 -19.133 1.00 0.00 C ATOM 671 C TRP A 42 13.293 -4.466 -18.827 1.00 0.00 C ATOM 672 O TRP A 42 13.413 -3.242 -18.878 1.00 0.00 O ATOM 673 CB TRP A 42 15.261 -5.664 -17.852 1.00 0.00 C ATOM 674 CG TRP A 42 16.390 -6.630 -18.050 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.499 -7.574 -19.030 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.569 -6.746 -17.246 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.674 -8.271 -18.884 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.349 -7.781 -17.797 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.043 -6.075 -16.115 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.574 -8.160 -17.254 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.258 -6.452 -15.578 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.013 -7.486 -16.147 1.00 0.00 C ATOM 0 H TRP A 42 15.842 -3.951 -19.830 1.00 0.00 H new ATOM 0 HA TRP A 42 14.090 -6.319 -19.530 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.658 -4.727 -17.463 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.581 -6.060 -17.097 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.769 -7.748 -19.806 1.00 0.00 H new ATOM 0 HE1 TRP A 42 17.992 -9.030 -19.487 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.469 -5.276 -15.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.157 -8.957 -17.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.633 -5.941 -14.704 1.00 0.00 H new ATOM 0 HH2 TRP A 42 20.960 -7.756 -15.703 1.00 0.00 H new ATOM 693 N LYS A 43 12.152 -5.068 -18.510 1.00 0.00 N ATOM 694 CA LYS A 43 10.948 -4.308 -18.194 1.00 0.00 C ATOM 695 C LYS A 43 10.870 -4.009 -16.700 1.00 0.00 C ATOM 696 O LYS A 43 10.705 -4.914 -15.883 1.00 0.00 O ATOM 697 CB LYS A 43 9.703 -5.080 -18.636 1.00 0.00 C ATOM 698 CG LYS A 43 8.403 -4.340 -18.371 1.00 0.00 C ATOM 699 CD LYS A 43 8.048 -3.408 -19.517 1.00 0.00 C ATOM 700 CE LYS A 43 6.953 -3.994 -20.394 1.00 0.00 C ATOM 701 NZ LYS A 43 7.283 -5.374 -20.846 1.00 0.00 N ATOM 0 H LYS A 43 12.035 -6.080 -18.465 1.00 0.00 H new ATOM 0 HA LYS A 43 10.993 -3.362 -18.734 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.778 -5.295 -19.702 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.678 -6.039 -18.119 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.598 -5.059 -18.223 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.491 -3.766 -17.448 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.721 -2.448 -19.118 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.936 -3.217 -20.120 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.014 -4.008 -19.841 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.802 -3.354 -21.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.497 -5.751 -21.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.148 -5.353 -21.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.435 -5.984 -20.017 1.00 0.00 H new ATOM 715 N VAL A 44 10.988 -2.731 -16.351 1.00 0.00 N ATOM 716 CA VAL A 44 10.928 -2.312 -14.956 1.00 0.00 C ATOM 717 C VAL A 44 9.790 -1.324 -14.727 1.00 0.00 C ATOM 718 O VAL A 44 9.375 -0.617 -15.646 1.00 0.00 O ATOM 719 CB VAL A 44 12.252 -1.667 -14.506 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.408 -2.641 -14.681 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.507 -0.381 -15.278 1.00 0.00 C ATOM 0 H VAL A 44 11.126 -1.969 -17.015 1.00 0.00 H new ATOM 0 HA VAL A 44 10.750 -3.210 -14.364 1.00 0.00 H new ATOM 0 HB VAL A 44 12.174 -1.420 -13.447 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.335 -2.167 -14.358 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.227 -3.532 -14.080 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.491 -2.922 -15.731 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.447 0.062 -14.947 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.565 -0.602 -16.344 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.692 0.320 -15.097 1.00 0.00 H new ATOM 731 N GLU A 45 9.291 -1.279 -13.496 1.00 0.00 N ATOM 732 CA GLU A 45 8.200 -0.376 -13.148 1.00 0.00 C ATOM 733 C GLU A 45 8.707 0.789 -12.303 1.00 0.00 C ATOM 734 O GLU A 45 9.287 0.590 -11.235 1.00 0.00 O ATOM 735 CB GLU A 45 7.105 -1.131 -12.391 1.00 0.00 C ATOM 736 CG GLU A 45 5.883 -0.283 -12.082 1.00 0.00 C ATOM 737 CD GLU A 45 4.635 -1.117 -11.862 1.00 0.00 C ATOM 738 OE1 GLU A 45 4.698 -2.079 -11.068 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.597 -0.808 -12.484 1.00 0.00 O ATOM 0 H GLU A 45 9.624 -1.856 -12.724 1.00 0.00 H new ATOM 0 HA GLU A 45 7.783 0.023 -14.073 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.798 -1.995 -12.980 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.518 -1.512 -11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.077 0.316 -11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.711 0.412 -12.903 1.00 0.00 H new ATOM 746 N VAL A 46 8.484 2.006 -12.789 1.00 0.00 N ATOM 747 CA VAL A 46 8.917 3.204 -12.079 1.00 0.00 C ATOM 748 C VAL A 46 7.754 3.854 -11.338 1.00 0.00 C ATOM 749 O VAL A 46 6.589 3.622 -11.662 1.00 0.00 O ATOM 750 CB VAL A 46 9.537 4.233 -13.042 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.325 5.280 -12.270 1.00 0.00 C ATOM 752 CG2 VAL A 46 10.420 3.539 -14.068 1.00 0.00 C ATOM 0 H VAL A 46 8.006 2.188 -13.671 1.00 0.00 H new ATOM 0 HA VAL A 46 9.673 2.890 -11.359 1.00 0.00 H new ATOM 0 HB VAL A 46 8.731 4.738 -13.573 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.756 5.999 -12.967 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.661 5.799 -11.579 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.124 4.794 -11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.850 4.282 -14.740 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.221 3.005 -13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.823 2.832 -14.643 1.00 0.00 H new ATOM 762 N LYS A 47 8.077 4.670 -10.341 1.00 0.00 N ATOM 763 CA LYS A 47 7.061 5.357 -9.553 1.00 0.00 C ATOM 764 C LYS A 47 7.112 6.862 -9.791 1.00 0.00 C ATOM 765 O LYS A 47 8.167 7.415 -10.104 1.00 0.00 O ATOM 766 CB LYS A 47 7.252 5.058 -8.064 1.00 0.00 C ATOM 767 CG LYS A 47 6.445 3.869 -7.573 1.00 0.00 C ATOM 768 CD LYS A 47 6.425 3.796 -6.056 1.00 0.00 C ATOM 769 CE LYS A 47 5.411 4.764 -5.464 1.00 0.00 C ATOM 770 NZ LYS A 47 5.065 4.414 -4.059 1.00 0.00 N ATOM 0 H LYS A 47 9.036 4.872 -10.059 1.00 0.00 H new ATOM 0 HA LYS A 47 6.084 4.991 -9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.309 4.873 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.973 5.939 -7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.424 3.941 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.868 2.949 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.185 2.780 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.417 4.024 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.813 5.777 -5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.507 4.760 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.372 5.097 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.658 3.458 -4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.923 4.443 -3.473 1.00 0.00 H new ATOM 784 N ALA A 48 5.968 7.521 -9.640 1.00 0.00 N ATOM 785 CA ALA A 48 5.884 8.963 -9.835 1.00 0.00 C ATOM 786 C ALA A 48 4.697 9.551 -9.080 1.00 0.00 C ATOM 787 O ALA A 48 3.833 8.821 -8.593 1.00 0.00 O ATOM 788 CB ALA A 48 5.784 9.290 -11.318 1.00 0.00 C ATOM 0 H ALA A 48 5.086 7.079 -9.383 1.00 0.00 H new ATOM 0 HA ALA A 48 6.793 9.412 -9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.722 10.370 -11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.666 8.912 -11.834 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.892 8.822 -11.734 1.00 0.00 H new ATOM 794 N THR A 49 4.660 10.877 -8.986 1.00 0.00 N ATOM 795 CA THR A 49 3.579 11.563 -8.289 1.00 0.00 C ATOM 796 C THR A 49 3.043 12.726 -9.116 1.00 0.00 C ATOM 797 O THR A 49 3.805 13.441 -9.766 1.00 0.00 O ATOM 798 CB THR A 49 4.042 12.093 -6.918 1.00 0.00 C ATOM 799 OG1 THR A 49 4.700 11.052 -6.188 1.00 0.00 O ATOM 800 CG2 THR A 49 2.862 12.616 -6.114 1.00 0.00 C ATOM 0 H THR A 49 5.366 11.497 -9.384 1.00 0.00 H new ATOM 0 HA THR A 49 2.785 10.831 -8.138 1.00 0.00 H new ATOM 0 HB THR A 49 4.739 12.914 -7.086 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.993 11.397 -5.319 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.213 12.985 -5.150 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.381 13.428 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.145 11.811 -5.955 1.00 0.00 H new ATOM 808 N ALA A 50 1.727 12.910 -9.086 1.00 0.00 N ATOM 809 CA ALA A 50 1.089 13.988 -9.831 1.00 0.00 C ATOM 810 C ALA A 50 -0.321 14.252 -9.315 1.00 0.00 C ATOM 811 O ALA A 50 -1.061 13.321 -8.999 1.00 0.00 O ATOM 812 CB ALA A 50 1.058 13.657 -11.315 1.00 0.00 C ATOM 0 H ALA A 50 1.082 12.326 -8.554 1.00 0.00 H new ATOM 0 HA ALA A 50 1.676 14.895 -9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.579 14.471 -11.859 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.077 13.527 -11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.496 12.736 -11.471 1.00 0.00 H new ATOM 818 N ASN A 51 -0.687 15.527 -9.232 1.00 0.00 N ATOM 819 CA ASN A 51 -2.010 15.913 -8.754 1.00 0.00 C ATOM 820 C ASN A 51 -2.275 15.338 -7.366 1.00 0.00 C ATOM 821 O ASN A 51 -3.416 15.044 -7.012 1.00 0.00 O ATOM 822 CB ASN A 51 -3.087 15.437 -9.730 1.00 0.00 C ATOM 823 CG ASN A 51 -2.693 15.657 -11.178 1.00 0.00 C ATOM 824 OD1 ASN A 51 -2.900 16.737 -11.732 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.123 14.630 -11.798 1.00 0.00 N ATOM 0 H ASN A 51 -0.086 16.310 -9.489 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.043 17.001 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.279 14.377 -9.566 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.018 15.965 -9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.837 14.718 -12.773 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.971 13.753 -11.299 1.00 0.00 H new ATOM 832 N GLY A 52 -1.212 15.181 -6.583 1.00 0.00 N ATOM 833 CA GLY A 52 -1.351 14.642 -5.242 1.00 0.00 C ATOM 834 C GLY A 52 -1.642 13.155 -5.243 1.00 0.00 C ATOM 835 O GLY A 52 -2.135 12.610 -4.255 1.00 0.00 O ATOM 0 H GLY A 52 -0.257 15.417 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.435 14.830 -4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.154 15.166 -4.724 1.00 0.00 H new ATOM 839 N LYS A 53 -1.338 12.494 -6.355 1.00 0.00 N ATOM 840 CA LYS A 53 -1.569 11.060 -6.481 1.00 0.00 C ATOM 841 C LYS A 53 -0.325 10.352 -7.007 1.00 0.00 C ATOM 842 O LYS A 53 0.335 10.834 -7.928 1.00 0.00 O ATOM 843 CB LYS A 53 -2.752 10.794 -7.415 1.00 0.00 C ATOM 844 CG LYS A 53 -4.045 11.449 -6.961 1.00 0.00 C ATOM 845 CD LYS A 53 -4.568 10.821 -5.680 1.00 0.00 C ATOM 846 CE LYS A 53 -5.254 9.490 -5.951 1.00 0.00 C ATOM 847 NZ LYS A 53 -4.297 8.351 -5.892 1.00 0.00 N ATOM 0 H LYS A 53 -0.931 12.929 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.798 10.666 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.504 11.153 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.908 9.718 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.878 12.515 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.796 11.357 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.743 10.671 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.270 11.502 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.048 9.335 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.725 9.518 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.244 7.894 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.355 8.702 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.622 7.660 -5.186 1.00 0.00 H new ATOM 861 N THR A 54 -0.008 9.204 -6.415 1.00 0.00 N ATOM 862 CA THR A 54 1.157 8.430 -6.823 1.00 0.00 C ATOM 863 C THR A 54 0.781 7.376 -7.859 1.00 0.00 C ATOM 864 O THR A 54 -0.137 6.583 -7.647 1.00 0.00 O ATOM 865 CB THR A 54 1.821 7.737 -5.619 1.00 0.00 C ATOM 866 OG1 THR A 54 0.834 7.421 -4.630 1.00 0.00 O ATOM 867 CG2 THR A 54 2.894 8.624 -5.007 1.00 0.00 C ATOM 0 H THR A 54 -0.543 8.790 -5.651 1.00 0.00 H new ATOM 0 HA THR A 54 1.865 9.132 -7.263 1.00 0.00 H new ATOM 0 HB THR A 54 2.290 6.818 -5.971 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.264 6.979 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.348 8.113 -4.158 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.659 8.838 -5.754 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.445 9.558 -4.670 1.00 0.00 H new ATOM 875 N TYR A 55 1.496 7.372 -8.978 1.00 0.00 N ATOM 876 CA TYR A 55 1.236 6.416 -10.047 1.00 0.00 C ATOM 877 C TYR A 55 2.525 5.731 -10.491 1.00 0.00 C ATOM 878 O TYR A 55 3.616 6.280 -10.340 1.00 0.00 O ATOM 879 CB TYR A 55 0.582 7.117 -11.239 1.00 0.00 C ATOM 880 CG TYR A 55 1.527 8.010 -12.010 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.875 9.266 -11.530 1.00 0.00 C ATOM 882 CD2 TYR A 55 2.073 7.597 -13.220 1.00 0.00 C ATOM 883 CE1 TYR A 55 2.738 10.086 -12.231 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.938 8.409 -13.927 1.00 0.00 C ATOM 885 CZ TYR A 55 3.267 9.653 -13.429 1.00 0.00 C ATOM 886 OH TYR A 55 4.127 10.465 -14.132 1.00 0.00 O ATOM 0 H TYR A 55 2.260 8.020 -9.168 1.00 0.00 H new ATOM 0 HA TYR A 55 0.556 5.656 -9.662 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.175 6.364 -11.914 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.258 7.713 -10.883 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.464 9.608 -10.592 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.816 6.625 -13.614 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.997 11.060 -11.843 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.355 8.072 -14.865 1.00 0.00 H new ATOM 0 HH TYR A 55 4.409 10.010 -14.953 1.00 0.00 H new ATOM 896 N GLU A 56 2.390 4.528 -11.040 1.00 0.00 N ATOM 897 CA GLU A 56 3.543 3.767 -11.506 1.00 0.00 C ATOM 898 C GLU A 56 3.464 3.524 -13.010 1.00 0.00 C ATOM 899 O GLU A 56 2.396 3.227 -13.546 1.00 0.00 O ATOM 900 CB GLU A 56 3.633 2.430 -10.767 1.00 0.00 C ATOM 901 CG GLU A 56 3.424 2.549 -9.266 1.00 0.00 C ATOM 902 CD GLU A 56 4.187 1.496 -8.486 1.00 0.00 C ATOM 903 OE1 GLU A 56 5.330 1.180 -8.878 1.00 0.00 O ATOM 904 OE2 GLU A 56 3.642 0.988 -7.484 1.00 0.00 O ATOM 0 H GLU A 56 1.494 4.060 -11.173 1.00 0.00 H new ATOM 0 HA GLU A 56 4.439 4.351 -11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.888 1.747 -11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.610 1.985 -10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.739 3.539 -8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.361 2.462 -9.043 1.00 0.00 H new ATOM 911 N ARG A 57 4.601 3.654 -13.686 1.00 0.00 N ATOM 912 CA ARG A 57 4.660 3.451 -15.128 1.00 0.00 C ATOM 913 C ARG A 57 5.670 2.364 -15.483 1.00 0.00 C ATOM 914 O ARG A 57 6.792 2.357 -14.978 1.00 0.00 O ATOM 915 CB ARG A 57 5.032 4.757 -15.834 1.00 0.00 C ATOM 916 CG ARG A 57 6.258 5.438 -15.248 1.00 0.00 C ATOM 917 CD ARG A 57 6.706 6.612 -16.105 1.00 0.00 C ATOM 918 NE ARG A 57 7.476 7.587 -15.337 1.00 0.00 N ATOM 919 CZ ARG A 57 8.212 8.543 -15.893 1.00 0.00 C ATOM 920 NH1 ARG A 57 8.277 8.652 -17.212 1.00 0.00 N ATOM 921 NH2 ARG A 57 8.884 9.393 -15.127 1.00 0.00 N ATOM 0 H ARG A 57 5.494 3.899 -13.258 1.00 0.00 H new ATOM 0 HA ARG A 57 3.674 3.131 -15.465 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.211 4.552 -16.889 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.186 5.442 -15.781 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.035 5.786 -14.240 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.071 4.717 -15.164 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.310 6.245 -16.935 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.832 7.099 -16.538 1.00 0.00 H new ATOM 0 HE ARG A 57 7.447 7.531 -14.319 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.761 8.001 -17.804 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.843 9.387 -17.636 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.835 9.312 -14.111 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.449 10.127 -15.554 1.00 0.00 H new ATOM 935 N GLN A 58 5.262 1.446 -16.354 1.00 0.00 N ATOM 936 CA GLN A 58 6.131 0.353 -16.775 1.00 0.00 C ATOM 937 C GLN A 58 6.859 0.704 -18.068 1.00 0.00 C ATOM 938 O GLN A 58 6.269 1.259 -18.994 1.00 0.00 O ATOM 939 CB GLN A 58 5.318 -0.928 -16.965 1.00 0.00 C ATOM 940 CG GLN A 58 4.871 -1.565 -15.659 1.00 0.00 C ATOM 941 CD GLN A 58 3.786 -2.605 -15.858 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.684 -2.479 -15.323 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.093 -3.640 -16.630 1.00 0.00 N ATOM 0 H GLN A 58 4.336 1.437 -16.781 1.00 0.00 H new ATOM 0 HA GLN A 58 6.874 0.191 -15.994 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.439 -0.704 -17.570 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.915 -1.648 -17.525 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.729 -2.029 -15.173 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.506 -0.789 -14.987 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.019 -3.704 -17.053 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.403 -4.372 -16.800 1.00 0.00 H new ATOM 952 N GLY A 59 8.147 0.377 -18.124 1.00 0.00 N ATOM 953 CA GLY A 59 8.935 0.666 -19.308 1.00 0.00 C ATOM 954 C GLY A 59 10.124 -0.263 -19.454 1.00 0.00 C ATOM 955 O GLY A 59 10.298 -1.189 -18.661 1.00 0.00 O ATOM 0 H GLY A 59 8.658 -0.083 -17.371 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.302 0.582 -20.191 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.286 1.697 -19.264 1.00 0.00 H new ATOM 959 N PHE A 60 10.943 -0.018 -20.471 1.00 0.00 N ATOM 960 CA PHE A 60 12.120 -0.842 -20.720 1.00 0.00 C ATOM 961 C PHE A 60 13.400 -0.066 -20.424 1.00 0.00 C ATOM 962 O PHE A 60 13.456 1.151 -20.600 1.00 0.00 O ATOM 963 CB PHE A 60 12.130 -1.329 -22.171 1.00 0.00 C ATOM 964 CG PHE A 60 10.950 -2.188 -22.523 1.00 0.00 C ATOM 965 CD1 PHE A 60 9.735 -1.614 -22.862 1.00 0.00 C ATOM 966 CD2 PHE A 60 11.054 -3.569 -22.516 1.00 0.00 C ATOM 967 CE1 PHE A 60 8.647 -2.402 -23.186 1.00 0.00 C ATOM 968 CE2 PHE A 60 9.970 -4.363 -22.839 1.00 0.00 C ATOM 969 CZ PHE A 60 8.765 -3.778 -23.175 1.00 0.00 C ATOM 0 H PHE A 60 10.813 0.744 -21.136 1.00 0.00 H new ATOM 0 HA PHE A 60 12.076 -1.704 -20.054 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.152 -0.465 -22.836 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.046 -1.892 -22.350 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.637 -0.538 -22.873 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.994 -4.031 -22.255 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.705 -1.942 -23.448 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.065 -5.439 -22.829 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.916 -4.396 -23.429 1.00 0.00 H new ATOM 979 N VAL A 61 14.426 -0.779 -19.972 1.00 0.00 N ATOM 980 CA VAL A 61 15.706 -0.159 -19.651 1.00 0.00 C ATOM 981 C VAL A 61 16.870 -1.028 -20.115 1.00 0.00 C ATOM 982 O VAL A 61 16.754 -2.247 -20.242 1.00 0.00 O ATOM 983 CB VAL A 61 15.842 0.097 -18.138 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.908 1.214 -17.699 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.566 -1.178 -17.355 1.00 0.00 C ATOM 0 H VAL A 61 14.396 -1.787 -19.820 1.00 0.00 H new ATOM 0 HA VAL A 61 15.736 0.795 -20.178 1.00 0.00 H new ATOM 0 HB VAL A 61 16.866 0.409 -17.931 1.00 0.00 H new ATOM 0 HG11 VAL A 61 15.018 1.380 -16.627 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.158 2.129 -18.236 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.878 0.934 -17.919 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.667 -0.979 -16.288 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.554 -1.523 -17.566 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.280 -1.947 -17.649 1.00 0.00 H new ATOM 995 N PRO A 62 18.019 -0.388 -20.374 1.00 0.00 N ATOM 996 CA PRO A 62 19.228 -1.083 -20.827 1.00 0.00 C ATOM 997 C PRO A 62 19.843 -1.949 -19.733 1.00 0.00 C ATOM 998 O PRO A 62 20.322 -1.440 -18.721 1.00 0.00 O ATOM 999 CB PRO A 62 20.175 0.060 -21.201 1.00 0.00 C ATOM 1000 CG PRO A 62 19.719 1.215 -20.378 1.00 0.00 C ATOM 1001 CD PRO A 62 18.229 1.064 -20.244 1.00 0.00 C ATOM 0 HA PRO A 62 19.021 -1.769 -21.649 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.211 -0.197 -20.982 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.121 0.287 -22.266 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.201 1.212 -19.400 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.974 2.160 -20.857 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.872 1.437 -19.284 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.698 1.618 -21.018 1.00 0.00 H new ATOM 1009 N ALA A 63 19.827 -3.261 -19.945 1.00 0.00 N ATOM 1010 CA ALA A 63 20.385 -4.198 -18.977 1.00 0.00 C ATOM 1011 C ALA A 63 21.885 -3.979 -18.804 1.00 0.00 C ATOM 1012 O ALA A 63 22.490 -4.482 -17.858 1.00 0.00 O ATOM 1013 CB ALA A 63 20.106 -5.630 -19.407 1.00 0.00 C ATOM 0 H ALA A 63 19.434 -3.699 -20.778 1.00 0.00 H new ATOM 0 HA ALA A 63 19.904 -4.019 -18.016 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.528 -6.319 -18.675 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.029 -5.787 -19.474 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.560 -5.812 -20.381 1.00 0.00 H new ATOM 1019 N ALA A 64 22.478 -3.225 -19.724 1.00 0.00 N ATOM 1020 CA ALA A 64 23.906 -2.939 -19.671 1.00 0.00 C ATOM 1021 C ALA A 64 24.212 -1.858 -18.640 1.00 0.00 C ATOM 1022 O ALA A 64 25.338 -1.751 -18.154 1.00 0.00 O ATOM 1023 CB ALA A 64 24.411 -2.519 -21.044 1.00 0.00 C ATOM 0 H ALA A 64 21.992 -2.802 -20.514 1.00 0.00 H new ATOM 0 HA ALA A 64 24.423 -3.850 -19.368 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.479 -2.308 -20.990 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.235 -3.324 -21.758 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.881 -1.624 -21.369 1.00 0.00 H new ATOM 1029 N TYR A 65 23.203 -1.059 -18.311 1.00 0.00 N ATOM 1030 CA TYR A 65 23.365 0.016 -17.339 1.00 0.00 C ATOM 1031 C TYR A 65 22.697 -0.342 -16.014 1.00 0.00 C ATOM 1032 O TYR A 65 23.052 0.191 -14.963 1.00 0.00 O ATOM 1033 CB TYR A 65 22.777 1.318 -17.884 1.00 0.00 C ATOM 1034 CG TYR A 65 23.451 1.805 -19.147 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.790 1.527 -19.394 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.751 2.544 -20.092 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.411 1.970 -20.546 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.363 2.990 -21.247 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.693 2.701 -21.470 1.00 0.00 C ATOM 1040 OH TYR A 65 25.307 3.145 -22.619 1.00 0.00 O ATOM 0 H TYR A 65 22.264 -1.135 -18.703 1.00 0.00 H new ATOM 0 HA TYR A 65 24.432 0.153 -17.162 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.715 1.172 -18.082 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.856 2.091 -17.119 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.355 0.955 -18.673 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.710 2.774 -19.921 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.453 1.745 -20.722 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.803 3.562 -21.972 1.00 0.00 H new ATOM 0 HH TYR A 65 24.662 3.643 -23.163 1.00 0.00 H new ATOM 1050 N VAL A 66 21.727 -1.248 -16.074 1.00 0.00 N ATOM 1051 CA VAL A 66 21.009 -1.680 -14.881 1.00 0.00 C ATOM 1052 C VAL A 66 21.282 -3.149 -14.576 1.00 0.00 C ATOM 1053 O VAL A 66 21.408 -3.970 -15.485 1.00 0.00 O ATOM 1054 CB VAL A 66 19.491 -1.472 -15.034 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.191 -0.066 -15.530 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.903 -2.514 -15.973 1.00 0.00 C ATOM 0 H VAL A 66 21.420 -1.697 -16.937 1.00 0.00 H new ATOM 0 HA VAL A 66 21.371 -1.068 -14.055 1.00 0.00 H new ATOM 0 HB VAL A 66 19.025 -1.593 -14.056 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.113 0.062 -15.632 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.577 0.662 -14.816 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.668 0.088 -16.498 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.829 -2.352 -16.070 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.373 -2.427 -16.953 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.085 -3.510 -15.570 1.00 0.00 H new ATOM 1066 N LYS A 67 21.373 -3.474 -13.291 1.00 0.00 N ATOM 1067 CA LYS A 67 21.629 -4.844 -12.865 1.00 0.00 C ATOM 1068 C LYS A 67 20.744 -5.220 -11.680 1.00 0.00 C ATOM 1069 O LYS A 67 20.424 -4.379 -10.840 1.00 0.00 O ATOM 1070 CB LYS A 67 23.102 -5.016 -12.489 1.00 0.00 C ATOM 1071 CG LYS A 67 23.403 -4.683 -11.038 1.00 0.00 C ATOM 1072 CD LYS A 67 24.892 -4.763 -10.744 1.00 0.00 C ATOM 1073 CE LYS A 67 25.186 -4.483 -9.278 1.00 0.00 C ATOM 1074 NZ LYS A 67 26.649 -4.472 -8.999 1.00 0.00 N ATOM 0 H LYS A 67 21.273 -2.807 -12.526 1.00 0.00 H new ATOM 0 HA LYS A 67 21.393 -5.507 -13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.401 -6.046 -12.686 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.709 -4.379 -13.132 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.040 -3.681 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.865 -5.372 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.264 -5.753 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.426 -4.046 -11.367 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.756 -3.521 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 67 24.704 -5.240 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 26.808 -4.278 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 27.056 -5.398 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 27.106 -3.733 -9.570 1.00 0.00 H new ATOM 1088 N LYS A 68 20.353 -6.488 -11.618 1.00 0.00 N ATOM 1089 CA LYS A 68 19.507 -6.976 -10.535 1.00 0.00 C ATOM 1090 C LYS A 68 20.280 -7.022 -9.221 1.00 0.00 C ATOM 1091 O LYS A 68 21.179 -7.846 -9.045 1.00 0.00 O ATOM 1092 CB LYS A 68 18.967 -8.368 -10.871 1.00 0.00 C ATOM 1093 CG LYS A 68 17.780 -8.348 -11.819 1.00 0.00 C ATOM 1094 CD LYS A 68 17.390 -9.751 -12.254 1.00 0.00 C ATOM 1095 CE LYS A 68 18.223 -10.219 -13.438 1.00 0.00 C ATOM 1096 NZ LYS A 68 19.459 -10.926 -13.001 1.00 0.00 N ATOM 0 H LYS A 68 20.609 -7.197 -12.305 1.00 0.00 H new ATOM 0 HA LYS A 68 18.671 -6.287 -10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.766 -8.961 -11.316 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.675 -8.868 -9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.932 -7.868 -11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.024 -7.749 -12.696 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.521 -10.441 -11.420 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.333 -9.770 -12.521 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.626 -10.884 -14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.494 -9.361 -14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.494 -11.868 -13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.294 -10.377 -13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.454 -11.027 -11.966 1.00 0.00 H new