USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -0.467 X(o=0.065,f=0.18) USER MOD Set 1.2: A 30 TYR OH : rot 30:sc= 0.532 USER MOD Single : A 11 MET CE :methyl 159:sc= -0.145 (180deg=-0.767) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 162:sc= -0.304 (180deg=-1.17) USER MOD Single : A 20 THR OG1 : rot -77:sc= 1.12 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 40 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-2.9) USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= -0.0258 (180deg=-0.235) USER MOD Single : A 55 THR OG1 : rot 30:sc= 0.0624 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0.718 USER MOD Single : A 59 ASN : amide:sc= -2.85! C(o=-2.8!,f=-9.2!) USER MOD Single : A 60 TYR OH : rot 15:sc= 0.0197 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= 1.13 (180deg=0.595) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 9 8.807 -19.847 14.143 1.00 74.23 N ATOM 135 CA GLU A 9 8.031 -20.753 14.997 1.00 40.14 C ATOM 136 C GLU A 9 8.519 -22.205 14.839 1.00 61.53 C ATOM 137 O GLU A 9 7.840 -23.047 14.241 1.00 32.33 O ATOM 138 CB GLU A 9 6.534 -20.645 14.661 1.00 22.11 C ATOM 139 CG GLU A 9 5.975 -19.218 14.708 1.00 51.11 C ATOM 140 CD GLU A 9 5.845 -18.643 16.117 1.00 14.35 C ATOM 141 OE1 GLU A 9 6.853 -18.594 16.852 1.00 52.42 O ATOM 142 OE2 GLU A 9 4.731 -18.221 16.493 1.00 21.14 O ATOM 0 HA GLU A 9 8.178 -20.459 16.036 1.00 40.14 H new ATOM 0 HB2 GLU A 9 6.367 -21.055 13.665 1.00 22.11 H new ATOM 0 HB3 GLU A 9 5.972 -21.265 15.359 1.00 22.11 H new ATOM 0 HG2 GLU A 9 6.622 -18.567 14.120 1.00 51.11 H new ATOM 0 HG3 GLU A 9 4.995 -19.208 14.232 1.00 51.11 H new ATOM 149 N TRP A 10 9.722 -22.472 15.346 1.00 10.11 N ATOM 150 CA TRP A 10 10.327 -23.809 15.289 1.00 31.23 C ATOM 151 C TRP A 10 10.138 -24.543 16.624 1.00 3.24 C ATOM 152 O TRP A 10 10.497 -24.024 17.684 1.00 15.24 O ATOM 153 CB TRP A 10 11.829 -23.708 14.964 1.00 14.03 C ATOM 154 CG TRP A 10 12.137 -22.999 13.673 1.00 61.13 C ATOM 155 CD1 TRP A 10 12.467 -21.682 13.518 1.00 32.14 C ATOM 156 CD2 TRP A 10 12.157 -23.572 12.358 1.00 61.04 C ATOM 157 NE1 TRP A 10 12.679 -21.400 12.192 1.00 34.40 N ATOM 158 CE2 TRP A 10 12.496 -22.542 11.460 1.00 24.25 C ATOM 159 CE3 TRP A 10 11.917 -24.853 11.851 1.00 0.52 C ATOM 160 CZ2 TRP A 10 12.605 -22.754 10.089 1.00 53.13 C ATOM 161 CZ3 TRP A 10 12.027 -25.062 10.489 1.00 63.34 C ATOM 162 CH2 TRP A 10 12.366 -24.017 9.622 1.00 74.02 C ATOM 0 H TRP A 10 10.305 -21.773 15.807 1.00 10.11 H new ATOM 0 HA TRP A 10 9.829 -24.372 14.500 1.00 31.23 H new ATOM 0 HB2 TRP A 10 12.331 -23.187 15.780 1.00 14.03 H new ATOM 0 HB3 TRP A 10 12.248 -24.713 14.922 1.00 14.03 H new ATOM 0 HD1 TRP A 10 12.549 -20.967 14.323 1.00 32.14 H new ATOM 0 HE1 TRP A 10 12.932 -20.487 11.813 1.00 34.40 H new ATOM 0 HE3 TRP A 10 11.650 -25.665 12.512 1.00 0.52 H new ATOM 0 HZ2 TRP A 10 12.869 -21.950 9.418 1.00 53.13 H new ATOM 0 HZ3 TRP A 10 11.848 -26.048 10.087 1.00 63.34 H new ATOM 0 HH2 TRP A 10 12.440 -24.212 8.562 1.00 74.02 H new ATOM 173 N MET A 11 9.583 -25.750 16.578 1.00 32.54 N ATOM 174 CA MET A 11 9.324 -26.519 17.804 1.00 20.32 C ATOM 175 C MET A 11 9.556 -28.023 17.600 1.00 43.21 C ATOM 176 O MET A 11 9.417 -28.542 16.492 1.00 74.50 O ATOM 177 CB MET A 11 7.889 -26.262 18.290 1.00 51.22 C ATOM 178 CG MET A 11 6.821 -26.618 17.266 1.00 33.14 C ATOM 179 SD MET A 11 5.154 -26.218 17.829 1.00 63.12 S ATOM 180 CE MET A 11 5.270 -24.439 18.008 1.00 2.14 C ATOM 0 H MET A 11 9.304 -26.219 15.716 1.00 32.54 H new ATOM 0 HA MET A 11 10.031 -26.182 18.562 1.00 20.32 H new ATOM 0 HB2 MET A 11 7.714 -26.838 19.199 1.00 51.22 H new ATOM 0 HB3 MET A 11 7.788 -25.210 18.556 1.00 51.22 H new ATOM 0 HG2 MET A 11 7.023 -26.086 16.336 1.00 33.14 H new ATOM 0 HG3 MET A 11 6.879 -27.683 17.043 1.00 33.14 H new ATOM 0 HE1 MET A 11 4.271 -24.005 17.981 1.00 2.14 H new ATOM 0 HE2 MET A 11 5.744 -24.199 18.960 1.00 2.14 H new ATOM 0 HE3 MET A 11 5.866 -24.029 17.192 1.00 2.14 H new ATOM 190 N VAL A 12 9.919 -28.715 18.679 1.00 32.21 N ATOM 191 CA VAL A 12 10.145 -30.164 18.633 1.00 11.14 C ATOM 192 C VAL A 12 8.827 -30.948 18.486 1.00 70.43 C ATOM 193 O VAL A 12 7.745 -30.419 18.733 1.00 12.25 O ATOM 194 CB VAL A 12 10.901 -30.659 19.895 1.00 33.43 C ATOM 195 CG1 VAL A 12 12.264 -29.976 20.015 1.00 14.33 C ATOM 196 CG2 VAL A 12 10.069 -30.428 21.157 1.00 43.23 C ATOM 0 H VAL A 12 10.064 -28.297 19.598 1.00 32.21 H new ATOM 0 HA VAL A 12 10.759 -30.352 17.752 1.00 11.14 H new ATOM 0 HB VAL A 12 11.065 -31.731 19.789 1.00 33.43 H new ATOM 0 HG11 VAL A 12 12.775 -30.339 20.907 1.00 14.33 H new ATOM 0 HG12 VAL A 12 12.864 -30.204 19.134 1.00 14.33 H new ATOM 0 HG13 VAL A 12 12.125 -28.897 20.090 1.00 14.33 H new ATOM 0 HG21 VAL A 12 10.621 -30.783 22.027 1.00 43.23 H new ATOM 0 HG22 VAL A 12 9.864 -29.363 21.268 1.00 43.23 H new ATOM 0 HG23 VAL A 12 9.128 -30.972 21.077 1.00 43.23 H new ATOM 206 N GLU A 13 8.940 -32.220 18.103 1.00 40.20 N ATOM 207 CA GLU A 13 7.774 -33.083 17.834 1.00 44.42 C ATOM 208 C GLU A 13 6.712 -33.027 18.953 1.00 51.13 C ATOM 209 O GLU A 13 5.527 -32.806 18.686 1.00 62.25 O ATOM 210 CB GLU A 13 8.253 -34.528 17.632 1.00 23.23 C ATOM 211 CG GLU A 13 7.153 -35.507 17.230 1.00 55.45 C ATOM 212 CD GLU A 13 7.690 -36.905 16.968 1.00 3.01 C ATOM 213 OE1 GLU A 13 7.790 -37.700 17.928 1.00 75.32 O ATOM 214 OE2 GLU A 13 8.031 -37.210 15.806 1.00 53.25 O ATOM 0 H GLU A 13 9.837 -32.687 17.969 1.00 40.20 H new ATOM 0 HA GLU A 13 7.291 -32.711 16.930 1.00 44.42 H new ATOM 0 HB2 GLU A 13 9.028 -34.537 16.866 1.00 23.23 H new ATOM 0 HB3 GLU A 13 8.714 -34.878 18.556 1.00 23.23 H new ATOM 0 HG2 GLU A 13 6.403 -35.551 18.020 1.00 55.45 H new ATOM 0 HG3 GLU A 13 6.652 -35.139 16.334 1.00 55.45 H new ATOM 221 N LYS A 14 7.141 -33.221 20.201 1.00 24.42 N ATOM 222 CA LYS A 14 6.222 -33.223 21.350 1.00 23.14 C ATOM 223 C LYS A 14 5.497 -31.873 21.500 1.00 52.41 C ATOM 224 O LYS A 14 4.306 -31.831 21.796 1.00 74.12 O ATOM 225 CB LYS A 14 6.992 -33.581 22.636 1.00 51.23 C ATOM 226 CG LYS A 14 6.104 -33.923 23.840 1.00 31.03 C ATOM 227 CD LYS A 14 5.707 -32.688 24.646 1.00 73.41 C ATOM 228 CE LYS A 14 6.905 -32.067 25.354 1.00 34.02 C ATOM 229 NZ LYS A 14 6.521 -30.882 26.163 1.00 24.44 N ATOM 0 H LYS A 14 8.118 -33.379 20.446 1.00 24.42 H new ATOM 0 HA LYS A 14 5.457 -33.979 21.173 1.00 23.14 H new ATOM 0 HB2 LYS A 14 7.643 -34.430 22.429 1.00 51.23 H new ATOM 0 HB3 LYS A 14 7.636 -32.743 22.903 1.00 51.23 H new ATOM 0 HG2 LYS A 14 5.204 -34.429 23.491 1.00 31.03 H new ATOM 0 HG3 LYS A 14 6.632 -34.622 24.489 1.00 31.03 H new ATOM 0 HD2 LYS A 14 5.254 -31.951 23.983 1.00 73.41 H new ATOM 0 HD3 LYS A 14 4.951 -32.962 25.382 1.00 73.41 H new ATOM 0 HE2 LYS A 14 7.370 -32.812 26.000 1.00 34.02 H new ATOM 0 HE3 LYS A 14 7.651 -31.775 24.615 1.00 34.02 H new ATOM 0 HZ1 LYS A 14 7.365 -30.490 26.627 1.00 24.44 H new ATOM 0 HZ2 LYS A 14 6.100 -30.160 25.544 1.00 24.44 H new ATOM 0 HZ3 LYS A 14 5.828 -31.165 26.885 1.00 24.44 H new ATOM 243 N ALA A 15 6.216 -30.776 21.287 1.00 1.52 N ATOM 244 CA ALA A 15 5.617 -29.438 21.364 1.00 3.43 C ATOM 245 C ALA A 15 4.690 -29.177 20.166 1.00 0.02 C ATOM 246 O ALA A 15 3.648 -28.528 20.296 1.00 53.33 O ATOM 247 CB ALA A 15 6.711 -28.378 21.430 1.00 53.43 C ATOM 0 H ALA A 15 7.210 -30.781 21.060 1.00 1.52 H new ATOM 0 HA ALA A 15 5.016 -29.385 22.272 1.00 3.43 H new ATOM 0 HB1 ALA A 15 6.256 -27.389 21.487 1.00 53.43 H new ATOM 0 HB2 ALA A 15 7.327 -28.546 22.313 1.00 53.43 H new ATOM 0 HB3 ALA A 15 7.333 -28.441 20.537 1.00 53.43 H new ATOM 253 N LEU A 16 5.078 -29.713 19.008 1.00 50.03 N ATOM 254 CA LEU A 16 4.331 -29.537 17.759 1.00 42.33 C ATOM 255 C LEU A 16 2.903 -30.095 17.882 1.00 65.43 C ATOM 256 O LEU A 16 1.929 -29.407 17.571 1.00 64.51 O ATOM 257 CB LEU A 16 5.103 -30.218 16.605 1.00 54.42 C ATOM 258 CG LEU A 16 4.639 -29.900 15.166 1.00 73.03 C ATOM 259 CD1 LEU A 16 3.366 -30.659 14.799 1.00 74.41 C ATOM 260 CD2 LEU A 16 4.443 -28.394 14.984 1.00 32.34 C ATOM 0 H LEU A 16 5.919 -30.282 18.908 1.00 50.03 H new ATOM 0 HA LEU A 16 4.238 -28.472 17.545 1.00 42.33 H new ATOM 0 HB2 LEU A 16 6.154 -29.941 16.691 1.00 54.42 H new ATOM 0 HB3 LEU A 16 5.045 -31.297 16.749 1.00 54.42 H new ATOM 0 HG LEU A 16 5.424 -30.234 14.487 1.00 73.03 H new ATOM 0 HD11 LEU A 16 3.073 -30.407 13.780 1.00 74.41 H new ATOM 0 HD12 LEU A 16 3.548 -31.731 14.870 1.00 74.41 H new ATOM 0 HD13 LEU A 16 2.566 -30.381 15.485 1.00 74.41 H new ATOM 0 HD21 LEU A 16 4.116 -28.190 13.964 1.00 32.34 H new ATOM 0 HD22 LEU A 16 3.688 -28.038 15.685 1.00 32.34 H new ATOM 0 HD23 LEU A 16 5.385 -27.879 15.173 1.00 32.34 H new ATOM 272 N MET A 17 2.777 -31.337 18.348 1.00 70.24 N ATOM 273 CA MET A 17 1.457 -31.970 18.494 1.00 31.32 C ATOM 274 C MET A 17 0.543 -31.166 19.436 1.00 4.42 C ATOM 275 O MET A 17 -0.673 -31.106 19.241 1.00 33.24 O ATOM 276 CB MET A 17 1.604 -33.408 19.008 1.00 74.34 C ATOM 277 CG MET A 17 2.162 -33.515 20.420 1.00 3.13 C ATOM 278 SD MET A 17 2.282 -35.221 20.988 1.00 41.55 S ATOM 279 CE MET A 17 3.473 -35.886 19.821 1.00 74.55 C ATOM 0 H MET A 17 3.562 -31.924 18.630 1.00 70.24 H new ATOM 0 HA MET A 17 0.993 -31.988 17.508 1.00 31.32 H new ATOM 0 HB2 MET A 17 0.629 -33.894 18.978 1.00 74.34 H new ATOM 0 HB3 MET A 17 2.256 -33.959 18.330 1.00 74.34 H new ATOM 0 HG2 MET A 17 3.149 -33.054 20.453 1.00 3.13 H new ATOM 0 HG3 MET A 17 1.525 -32.952 21.102 1.00 3.13 H new ATOM 0 HE1 MET A 17 3.892 -36.811 20.216 1.00 74.55 H new ATOM 0 HE2 MET A 17 2.978 -36.088 18.871 1.00 74.55 H new ATOM 0 HE3 MET A 17 4.273 -35.163 19.666 1.00 74.55 H new ATOM 289 N VAL A 18 1.138 -30.540 20.448 1.00 51.12 N ATOM 290 CA VAL A 18 0.385 -29.751 21.427 1.00 51.04 C ATOM 291 C VAL A 18 -0.141 -28.441 20.812 1.00 5.11 C ATOM 292 O VAL A 18 -1.289 -28.050 21.036 1.00 30.33 O ATOM 293 CB VAL A 18 1.260 -29.426 22.668 1.00 31.33 C ATOM 294 CG1 VAL A 18 0.484 -28.597 23.694 1.00 22.03 C ATOM 295 CG2 VAL A 18 1.795 -30.714 23.301 1.00 50.11 C ATOM 0 H VAL A 18 2.144 -30.562 20.614 1.00 51.12 H new ATOM 0 HA VAL A 18 -0.467 -30.355 21.738 1.00 51.04 H new ATOM 0 HB VAL A 18 2.108 -28.828 22.334 1.00 31.33 H new ATOM 0 HG11 VAL A 18 1.124 -28.386 24.551 1.00 22.03 H new ATOM 0 HG12 VAL A 18 0.167 -27.659 23.239 1.00 22.03 H new ATOM 0 HG13 VAL A 18 -0.392 -29.155 24.024 1.00 22.03 H new ATOM 0 HG21 VAL A 18 2.406 -30.466 24.169 1.00 50.11 H new ATOM 0 HG22 VAL A 18 0.959 -31.341 23.612 1.00 50.11 H new ATOM 0 HG23 VAL A 18 2.401 -31.253 22.573 1.00 50.11 H new ATOM 305 N ARG A 19 0.701 -27.776 20.024 1.00 43.21 N ATOM 306 CA ARG A 19 0.353 -26.478 19.430 1.00 54.44 C ATOM 307 C ARG A 19 -0.433 -26.610 18.114 1.00 24.53 C ATOM 308 O ARG A 19 -0.922 -25.612 17.579 1.00 51.12 O ATOM 309 CB ARG A 19 1.629 -25.654 19.207 1.00 32.31 C ATOM 310 CG ARG A 19 2.302 -25.212 20.510 1.00 34.31 C ATOM 311 CD ARG A 19 1.689 -23.930 21.088 1.00 53.41 C ATOM 312 NE ARG A 19 0.233 -23.866 20.925 1.00 50.32 N ATOM 313 CZ ARG A 19 -0.634 -23.923 21.903 1.00 73.01 C ATOM 314 NH1 ARG A 19 -0.255 -24.098 23.129 1.00 10.24 N ATOM 315 NH2 ARG A 19 -1.895 -23.814 21.642 1.00 10.13 N ATOM 0 H ARG A 19 1.632 -28.112 19.779 1.00 43.21 H new ATOM 0 HA ARG A 19 -0.304 -25.968 20.134 1.00 54.44 H new ATOM 0 HB2 ARG A 19 2.336 -26.243 18.623 1.00 32.31 H new ATOM 0 HB3 ARG A 19 1.384 -24.772 18.615 1.00 32.31 H new ATOM 0 HG2 ARG A 19 2.221 -26.012 21.246 1.00 34.31 H new ATOM 0 HG3 ARG A 19 3.365 -25.052 20.329 1.00 34.31 H new ATOM 0 HD2 ARG A 19 1.933 -23.863 22.148 1.00 53.41 H new ATOM 0 HD3 ARG A 19 2.142 -23.066 20.601 1.00 53.41 H new ATOM 0 HE ARG A 19 -0.131 -23.770 19.977 1.00 50.32 H new ATOM 0 HH11 ARG A 19 0.737 -24.194 23.347 1.00 10.24 H new ATOM 0 HH12 ARG A 19 -0.948 -24.139 23.876 1.00 10.24 H new ATOM 0 HH21 ARG A 19 -2.207 -23.685 20.680 1.00 10.13 H new ATOM 0 HH22 ARG A 19 -2.578 -23.857 22.398 1.00 10.13 H new ATOM 329 N THR A 20 -0.548 -27.830 17.590 1.00 31.41 N ATOM 330 CA THR A 20 -1.314 -28.074 16.353 1.00 31.05 C ATOM 331 C THR A 20 -2.609 -28.855 16.617 1.00 72.13 C ATOM 332 O THR A 20 -3.598 -28.690 15.900 1.00 30.20 O ATOM 333 CB THR A 20 -0.489 -28.862 15.312 1.00 44.31 C ATOM 334 OG1 THR A 20 -0.136 -30.149 15.840 1.00 74.12 O ATOM 335 CG2 THR A 20 0.770 -28.102 14.916 1.00 62.32 C ATOM 0 H THR A 20 -0.125 -28.665 17.995 1.00 31.41 H new ATOM 0 HA THR A 20 -1.557 -27.085 15.963 1.00 31.05 H new ATOM 0 HB THR A 20 -1.103 -28.990 14.421 1.00 44.31 H new ATOM 0 HG1 THR A 20 0.609 -30.051 16.469 1.00 74.12 H new ATOM 0 HG21 THR A 20 1.330 -28.682 14.182 1.00 62.32 H new ATOM 0 HG22 THR A 20 0.494 -27.140 14.484 1.00 62.32 H new ATOM 0 HG23 THR A 20 1.389 -27.939 15.798 1.00 62.32 H new ATOM 343 N GLY A 21 -2.598 -29.708 17.642 1.00 52.40 N ATOM 344 CA GLY A 21 -3.754 -30.554 17.936 1.00 41.24 C ATOM 345 C GLY A 21 -3.626 -31.959 17.348 1.00 15.11 C ATOM 346 O GLY A 21 -4.460 -32.831 17.607 1.00 4.51 O ATOM 0 H GLY A 21 -1.809 -29.831 18.277 1.00 52.40 H new ATOM 0 HA2 GLY A 21 -3.879 -30.627 19.016 1.00 41.24 H new ATOM 0 HA3 GLY A 21 -4.654 -30.081 17.542 1.00 41.24 H new ATOM 350 N LEU A 22 -2.579 -32.179 16.551 1.00 52.41 N ATOM 351 CA LEU A 22 -2.321 -33.490 15.938 1.00 1.41 C ATOM 352 C LEU A 22 -1.799 -34.501 16.967 1.00 63.13 C ATOM 353 O LEU A 22 -1.250 -34.126 18.003 1.00 72.42 O ATOM 354 CB LEU A 22 -1.307 -33.360 14.783 1.00 54.12 C ATOM 355 CG LEU A 22 -1.874 -32.851 13.444 1.00 62.43 C ATOM 356 CD1 LEU A 22 -2.532 -31.480 13.598 1.00 4.21 C ATOM 357 CD2 LEU A 22 -0.778 -32.807 12.380 1.00 71.32 C ATOM 0 H LEU A 22 -1.891 -31.465 16.312 1.00 52.41 H new ATOM 0 HA LEU A 22 -3.270 -33.856 15.547 1.00 1.41 H new ATOM 0 HB2 LEU A 22 -0.511 -32.685 15.098 1.00 54.12 H new ATOM 0 HB3 LEU A 22 -0.850 -34.335 14.615 1.00 54.12 H new ATOM 0 HG LEU A 22 -2.644 -33.552 13.122 1.00 62.43 H new ATOM 0 HD11 LEU A 22 -2.921 -31.153 12.634 1.00 4.21 H new ATOM 0 HD12 LEU A 22 -3.350 -31.548 14.315 1.00 4.21 H new ATOM 0 HD13 LEU A 22 -1.795 -30.761 13.955 1.00 4.21 H new ATOM 0 HD21 LEU A 22 -1.197 -32.445 11.441 1.00 71.32 H new ATOM 0 HD22 LEU A 22 0.018 -32.136 12.705 1.00 71.32 H new ATOM 0 HD23 LEU A 22 -0.372 -33.808 12.234 1.00 71.32 H new ATOM 369 N GLY A 23 -1.968 -35.786 16.667 1.00 34.21 N ATOM 370 CA GLY A 23 -1.484 -36.836 17.553 1.00 24.11 C ATOM 371 C GLY A 23 -0.145 -37.412 17.114 1.00 62.15 C ATOM 372 O GLY A 23 0.242 -37.284 15.950 1.00 50.12 O ATOM 0 H GLY A 23 -2.433 -36.122 15.823 1.00 34.21 H new ATOM 0 HA2 GLY A 23 -1.388 -36.437 18.563 1.00 24.11 H new ATOM 0 HA3 GLY A 23 -2.222 -37.637 17.596 1.00 24.11 H new ATOM 376 N ALA A 24 0.552 -38.068 18.041 1.00 14.54 N ATOM 377 CA ALA A 24 1.867 -38.658 17.760 1.00 53.43 C ATOM 378 C ALA A 24 1.849 -39.543 16.500 1.00 62.53 C ATOM 379 O ALA A 24 2.710 -39.414 15.627 1.00 62.40 O ATOM 380 CB ALA A 24 2.346 -39.456 18.967 1.00 63.22 C ATOM 0 H ALA A 24 0.229 -38.206 18.998 1.00 14.54 H new ATOM 0 HA ALA A 24 2.562 -37.841 17.566 1.00 53.43 H new ATOM 0 HB1 ALA A 24 3.322 -39.891 18.752 1.00 63.22 H new ATOM 0 HB2 ALA A 24 2.425 -38.796 19.831 1.00 63.22 H new ATOM 0 HB3 ALA A 24 1.634 -40.252 19.183 1.00 63.22 H new ATOM 386 N ARG A 25 0.846 -40.418 16.397 1.00 43.02 N ATOM 387 CA ARG A 25 0.728 -41.330 15.250 1.00 42.25 C ATOM 388 C ARG A 25 0.432 -40.568 13.944 1.00 53.13 C ATOM 389 O ARG A 25 0.786 -41.016 12.854 1.00 21.42 O ATOM 390 CB ARG A 25 -0.363 -42.380 15.501 1.00 60.51 C ATOM 391 CG ARG A 25 -1.750 -41.791 15.752 1.00 61.13 C ATOM 392 CD ARG A 25 -2.827 -42.873 15.787 1.00 43.33 C ATOM 393 NE ARG A 25 -4.149 -42.332 16.108 1.00 44.14 N ATOM 394 CZ ARG A 25 -5.260 -42.683 15.510 1.00 75.35 C ATOM 395 NH1 ARG A 25 -5.251 -43.542 14.540 1.00 4.13 N ATOM 396 NH2 ARG A 25 -6.386 -42.168 15.888 1.00 54.33 N ATOM 0 H ARG A 25 0.104 -40.517 17.090 1.00 43.02 H new ATOM 0 HA ARG A 25 1.688 -41.833 15.138 1.00 42.25 H new ATOM 0 HB2 ARG A 25 -0.414 -43.048 14.641 1.00 60.51 H new ATOM 0 HB3 ARG A 25 -0.077 -42.987 16.360 1.00 60.51 H new ATOM 0 HG2 ARG A 25 -1.749 -41.248 16.697 1.00 61.13 H new ATOM 0 HG3 ARG A 25 -1.985 -41.069 14.970 1.00 61.13 H new ATOM 0 HD2 ARG A 25 -2.867 -43.374 14.820 1.00 43.33 H new ATOM 0 HD3 ARG A 25 -2.557 -43.628 16.526 1.00 43.33 H new ATOM 0 HE ARG A 25 -4.209 -41.633 16.849 1.00 44.14 H new ATOM 0 HH11 ARG A 25 -4.370 -43.955 14.232 1.00 4.13 H new ATOM 0 HH12 ARG A 25 -6.125 -43.805 14.084 1.00 4.13 H new ATOM 0 HH21 ARG A 25 -6.407 -41.490 16.650 1.00 54.33 H new ATOM 0 HH22 ARG A 25 -7.253 -42.440 15.424 1.00 54.33 H new ATOM 410 N GLN A 26 -0.209 -39.409 14.064 1.00 62.34 N ATOM 411 CA GLN A 26 -0.563 -38.603 12.892 1.00 33.43 C ATOM 412 C GLN A 26 0.672 -37.870 12.346 1.00 13.40 C ATOM 413 O GLN A 26 0.841 -37.722 11.134 1.00 41.24 O ATOM 414 CB GLN A 26 -1.663 -37.591 13.252 1.00 20.32 C ATOM 415 CG GLN A 26 -2.395 -37.026 12.041 1.00 4.21 C ATOM 416 CD GLN A 26 -3.406 -35.953 12.406 1.00 43.13 C ATOM 417 OE1 GLN A 26 -3.953 -35.937 13.504 1.00 12.43 O ATOM 418 NE2 GLN A 26 -3.675 -35.057 11.479 1.00 5.04 N ATOM 0 H GLN A 26 -0.495 -39.005 14.956 1.00 62.34 H new ATOM 0 HA GLN A 26 -0.940 -39.271 12.118 1.00 33.43 H new ATOM 0 HB2 GLN A 26 -2.386 -38.072 13.911 1.00 20.32 H new ATOM 0 HB3 GLN A 26 -1.219 -36.769 13.813 1.00 20.32 H new ATOM 0 HG2 GLN A 26 -1.667 -36.610 11.345 1.00 4.21 H new ATOM 0 HG3 GLN A 26 -2.906 -37.837 11.521 1.00 4.21 H new ATOM 0 HE21 GLN A 26 -3.202 -35.099 10.576 1.00 5.04 H new ATOM 0 HE22 GLN A 26 -4.356 -34.321 11.664 1.00 5.04 H new ATOM 427 N ILE A 27 1.537 -37.421 13.252 1.00 40.30 N ATOM 428 CA ILE A 27 2.772 -36.729 12.869 1.00 42.34 C ATOM 429 C ILE A 27 3.760 -37.684 12.179 1.00 71.23 C ATOM 430 O ILE A 27 4.238 -37.399 11.080 1.00 60.34 O ATOM 431 CB ILE A 27 3.461 -36.075 14.094 1.00 51.42 C ATOM 432 CG1 ILE A 27 2.512 -35.069 14.767 1.00 0.41 C ATOM 433 CG2 ILE A 27 4.766 -35.386 13.686 1.00 52.24 C ATOM 434 CD1 ILE A 27 3.119 -34.361 15.961 1.00 63.31 C ATOM 0 H ILE A 27 1.408 -37.523 14.259 1.00 40.30 H new ATOM 0 HA ILE A 27 2.486 -35.946 12.166 1.00 42.34 H new ATOM 0 HB ILE A 27 3.702 -36.862 14.808 1.00 51.42 H new ATOM 0 HG12 ILE A 27 2.206 -34.325 14.032 1.00 0.41 H new ATOM 0 HG13 ILE A 27 1.610 -35.592 15.086 1.00 0.41 H new ATOM 0 HG21 ILE A 27 5.229 -34.935 14.564 1.00 52.24 H new ATOM 0 HG22 ILE A 27 5.446 -36.121 13.254 1.00 52.24 H new ATOM 0 HG23 ILE A 27 4.553 -34.611 12.950 1.00 52.24 H new ATOM 0 HD11 ILE A 27 2.391 -33.668 16.382 1.00 63.31 H new ATOM 0 HD12 ILE A 27 3.400 -35.096 16.716 1.00 63.31 H new ATOM 0 HD13 ILE A 27 4.004 -33.809 15.645 1.00 63.31 H new ATOM 446 N GLU A 28 4.057 -38.821 12.824 1.00 45.21 N ATOM 447 CA GLU A 28 4.992 -39.811 12.260 1.00 74.21 C ATOM 448 C GLU A 28 4.572 -40.236 10.843 1.00 74.45 C ATOM 449 O GLU A 28 5.415 -40.440 9.967 1.00 24.11 O ATOM 450 CB GLU A 28 5.108 -41.044 13.171 1.00 2.13 C ATOM 451 CG GLU A 28 3.790 -41.769 13.409 1.00 0.13 C ATOM 452 CD GLU A 28 3.959 -43.063 14.189 1.00 3.53 C ATOM 453 OE1 GLU A 28 4.191 -43.004 15.415 1.00 13.03 O ATOM 454 OE2 GLU A 28 3.851 -44.149 13.581 1.00 5.25 O ATOM 0 H GLU A 28 3.668 -39.079 13.731 1.00 45.21 H new ATOM 0 HA GLU A 28 5.970 -39.333 12.197 1.00 74.21 H new ATOM 0 HB2 GLU A 28 5.820 -41.742 12.730 1.00 2.13 H new ATOM 0 HB3 GLU A 28 5.519 -40.735 14.132 1.00 2.13 H new ATOM 0 HG2 GLU A 28 3.111 -41.110 13.951 1.00 0.13 H new ATOM 0 HG3 GLU A 28 3.323 -41.988 12.449 1.00 0.13 H new ATOM 461 N SER A 29 3.263 -40.351 10.628 1.00 63.44 N ATOM 462 CA SER A 29 2.711 -40.647 9.300 1.00 53.02 C ATOM 463 C SER A 29 3.146 -39.593 8.274 1.00 53.43 C ATOM 464 O SER A 29 3.711 -39.921 7.229 1.00 60.13 O ATOM 465 CB SER A 29 1.177 -40.704 9.360 1.00 20.34 C ATOM 466 OG SER A 29 0.607 -40.867 8.068 1.00 3.44 O ATOM 0 H SER A 29 2.559 -40.244 11.358 1.00 63.44 H new ATOM 0 HA SER A 29 3.097 -41.617 8.987 1.00 53.02 H new ATOM 0 HB2 SER A 29 0.868 -41.530 10.001 1.00 20.34 H new ATOM 0 HB3 SER A 29 0.796 -39.789 9.813 1.00 20.34 H new ATOM 0 HG SER A 29 -0.370 -40.901 8.143 1.00 3.44 H new ATOM 472 N TYR A 30 2.898 -38.324 8.590 1.00 71.33 N ATOM 473 CA TYR A 30 3.244 -37.216 7.689 1.00 20.24 C ATOM 474 C TYR A 30 4.769 -37.086 7.494 1.00 34.21 C ATOM 475 O TYR A 30 5.240 -36.671 6.427 1.00 75.34 O ATOM 476 CB TYR A 30 2.666 -35.899 8.227 1.00 72.31 C ATOM 477 CG TYR A 30 1.150 -35.885 8.366 1.00 74.21 C ATOM 478 CD1 TYR A 30 0.350 -36.798 7.680 1.00 53.33 C ATOM 479 CD2 TYR A 30 0.520 -34.954 9.185 1.00 21.21 C ATOM 480 CE1 TYR A 30 -1.027 -36.777 7.805 1.00 12.01 C ATOM 481 CE2 TYR A 30 -0.857 -34.928 9.313 1.00 23.42 C ATOM 482 CZ TYR A 30 -1.626 -35.841 8.622 1.00 31.42 C ATOM 483 OH TYR A 30 -3.000 -35.821 8.752 1.00 12.24 O ATOM 0 H TYR A 30 2.458 -38.032 9.463 1.00 71.33 H new ATOM 0 HA TYR A 30 2.806 -37.435 6.715 1.00 20.24 H new ATOM 0 HB2 TYR A 30 3.109 -35.693 9.201 1.00 72.31 H new ATOM 0 HB3 TYR A 30 2.965 -35.088 7.563 1.00 72.31 H new ATOM 0 HD1 TYR A 30 0.814 -37.534 7.040 1.00 53.33 H new ATOM 0 HD2 TYR A 30 1.117 -34.238 9.731 1.00 21.21 H new ATOM 0 HE1 TYR A 30 -1.631 -37.491 7.265 1.00 12.01 H new ATOM 0 HE2 TYR A 30 -1.328 -34.196 9.952 1.00 23.42 H new ATOM 0 HH TYR A 30 -3.353 -36.728 8.635 1.00 12.24 H new ATOM 493 N ARG A 31 5.537 -37.451 8.524 1.00 44.04 N ATOM 494 CA ARG A 31 7.008 -37.415 8.454 1.00 21.24 C ATOM 495 C ARG A 31 7.547 -38.335 7.342 1.00 34.31 C ATOM 496 O ARG A 31 8.649 -38.128 6.837 1.00 21.00 O ATOM 497 CB ARG A 31 7.626 -37.823 9.807 1.00 52.12 C ATOM 498 CG ARG A 31 7.282 -36.881 10.962 1.00 24.21 C ATOM 499 CD ARG A 31 7.742 -37.420 12.323 1.00 2.45 C ATOM 500 NE ARG A 31 9.183 -37.280 12.554 1.00 35.02 N ATOM 501 CZ ARG A 31 10.077 -38.189 12.263 1.00 72.11 C ATOM 502 NH1 ARG A 31 9.736 -39.283 11.661 1.00 31.32 N ATOM 503 NH2 ARG A 31 11.316 -38.012 12.596 1.00 45.21 N ATOM 0 H ARG A 31 5.169 -37.775 9.418 1.00 44.04 H new ATOM 0 HA ARG A 31 7.295 -36.390 8.219 1.00 21.24 H new ATOM 0 HB2 ARG A 31 7.288 -38.828 10.060 1.00 52.12 H new ATOM 0 HB3 ARG A 31 8.710 -37.868 9.700 1.00 52.12 H new ATOM 0 HG2 ARG A 31 7.746 -35.911 10.785 1.00 24.21 H new ATOM 0 HG3 ARG A 31 6.204 -36.720 10.985 1.00 24.21 H new ATOM 0 HD2 ARG A 31 7.203 -36.896 13.113 1.00 2.45 H new ATOM 0 HD3 ARG A 31 7.471 -38.473 12.397 1.00 2.45 H new ATOM 0 HE ARG A 31 9.512 -36.410 12.972 1.00 35.02 H new ATOM 0 HH11 ARG A 31 8.761 -39.443 11.408 1.00 31.32 H new ATOM 0 HH12 ARG A 31 10.442 -39.985 11.439 1.00 31.32 H new ATOM 0 HH21 ARG A 31 11.596 -37.162 13.086 1.00 45.21 H new ATOM 0 HH22 ARG A 31 12.012 -38.722 12.368 1.00 45.21 H new ATOM 517 N GLN A 32 6.756 -39.339 6.957 1.00 35.13 N ATOM 518 CA GLN A 32 7.191 -40.341 5.972 1.00 43.04 C ATOM 519 C GLN A 32 6.842 -39.961 4.518 1.00 43.32 C ATOM 520 O GLN A 32 7.294 -40.627 3.583 1.00 25.41 O ATOM 521 CB GLN A 32 6.566 -41.704 6.300 1.00 20.45 C ATOM 522 CG GLN A 32 6.996 -42.275 7.646 1.00 42.22 C ATOM 523 CD GLN A 32 6.350 -43.618 7.950 1.00 50.24 C ATOM 524 OE1 GLN A 32 5.229 -43.897 7.530 1.00 53.31 O ATOM 525 NE2 GLN A 32 7.051 -44.466 8.670 1.00 52.04 N ATOM 0 H GLN A 32 5.810 -39.483 7.310 1.00 35.13 H new ATOM 0 HA GLN A 32 8.278 -40.387 6.041 1.00 43.04 H new ATOM 0 HB2 GLN A 32 5.480 -41.607 6.288 1.00 20.45 H new ATOM 0 HB3 GLN A 32 6.831 -42.412 5.515 1.00 20.45 H new ATOM 0 HG2 GLN A 32 8.080 -42.387 7.658 1.00 42.22 H new ATOM 0 HG3 GLN A 32 6.740 -41.567 8.434 1.00 42.22 H new ATOM 0 HE21 GLN A 32 7.979 -44.206 9.004 1.00 52.04 H new ATOM 0 HE22 GLN A 32 6.667 -45.384 8.894 1.00 52.04 H new ATOM 534 N GLY A 33 6.042 -38.909 4.313 1.00 64.31 N ATOM 535 CA GLY A 33 5.618 -38.571 2.947 1.00 63.12 C ATOM 536 C GLY A 33 5.228 -37.111 2.717 1.00 32.23 C ATOM 537 O GLY A 33 4.697 -36.772 1.656 1.00 32.53 O ATOM 0 H GLY A 33 5.685 -38.295 5.045 1.00 64.31 H new ATOM 0 HA2 GLY A 33 6.427 -38.824 2.262 1.00 63.12 H new ATOM 0 HA3 GLY A 33 4.768 -39.201 2.684 1.00 63.12 H new ATOM 541 N ALA A 34 5.478 -36.243 3.685 1.00 5.44 N ATOM 542 CA ALA A 34 5.137 -34.817 3.544 1.00 51.02 C ATOM 543 C ALA A 34 6.239 -33.907 4.106 1.00 22.41 C ATOM 544 O ALA A 34 6.424 -32.772 3.656 1.00 52.24 O ATOM 545 CB ALA A 34 3.805 -34.530 4.233 1.00 24.31 C ATOM 0 H ALA A 34 5.912 -36.489 4.575 1.00 5.44 H new ATOM 0 HA ALA A 34 5.048 -34.598 2.480 1.00 51.02 H new ATOM 0 HB1 ALA A 34 3.559 -33.474 4.125 1.00 24.31 H new ATOM 0 HB2 ALA A 34 3.021 -35.134 3.775 1.00 24.31 H new ATOM 0 HB3 ALA A 34 3.882 -34.778 5.292 1.00 24.31 H new ATOM 551 N TRP A 35 6.968 -34.405 5.094 1.00 52.22 N ATOM 552 CA TRP A 35 8.018 -33.620 5.748 1.00 71.53 C ATOM 553 C TRP A 35 9.259 -33.431 4.851 1.00 61.35 C ATOM 554 O TRP A 35 9.767 -34.376 4.244 1.00 12.44 O ATOM 555 CB TRP A 35 8.401 -34.267 7.084 1.00 75.40 C ATOM 556 CG TRP A 35 7.576 -33.808 8.266 1.00 22.10 C ATOM 557 CD1 TRP A 35 8.003 -33.747 9.561 1.00 22.13 C ATOM 558 CD2 TRP A 35 6.208 -33.343 8.280 1.00 22.20 C ATOM 559 NE1 TRP A 35 6.998 -33.292 10.375 1.00 41.00 N ATOM 560 CE2 TRP A 35 5.891 -33.033 9.618 1.00 41.12 C ATOM 561 CE3 TRP A 35 5.222 -33.159 7.305 1.00 3.23 C ATOM 562 CZ2 TRP A 35 4.642 -32.554 9.999 1.00 64.41 C ATOM 563 CZ3 TRP A 35 3.983 -32.682 7.685 1.00 42.34 C ATOM 564 CH2 TRP A 35 3.701 -32.384 9.021 1.00 60.32 C ATOM 0 H TRP A 35 6.856 -35.349 5.464 1.00 52.22 H new ATOM 0 HA TRP A 35 7.616 -32.624 5.934 1.00 71.53 H new ATOM 0 HB2 TRP A 35 8.306 -35.349 6.989 1.00 75.40 H new ATOM 0 HB3 TRP A 35 9.451 -34.056 7.287 1.00 75.40 H new ATOM 0 HD1 TRP A 35 8.993 -34.019 9.897 1.00 22.13 H new ATOM 0 HE1 TRP A 35 7.066 -33.167 11.385 1.00 41.00 H new ATOM 0 HE3 TRP A 35 5.427 -33.387 6.269 1.00 3.23 H new ATOM 0 HZ2 TRP A 35 4.423 -32.324 11.031 1.00 64.41 H new ATOM 0 HZ3 TRP A 35 3.218 -32.537 6.936 1.00 42.34 H new ATOM 0 HH2 TRP A 35 2.722 -32.013 9.286 1.00 60.32 H new ATOM 575 N ILE A 36 9.737 -32.186 4.789 1.00 21.14 N ATOM 576 CA ILE A 36 10.886 -31.808 3.950 1.00 50.41 C ATOM 577 C ILE A 36 11.808 -30.842 4.711 1.00 71.24 C ATOM 578 O ILE A 36 11.346 -29.812 5.213 1.00 10.22 O ATOM 579 CB ILE A 36 10.425 -31.106 2.643 1.00 14.11 C ATOM 580 CG1 ILE A 36 9.447 -31.996 1.858 1.00 11.41 C ATOM 581 CG2 ILE A 36 11.631 -30.734 1.777 1.00 70.14 C ATOM 582 CD1 ILE A 36 8.918 -31.355 0.592 1.00 13.22 C ATOM 0 H ILE A 36 9.341 -31.409 5.318 1.00 21.14 H new ATOM 0 HA ILE A 36 11.418 -32.726 3.701 1.00 50.41 H new ATOM 0 HB ILE A 36 9.903 -30.189 2.917 1.00 14.11 H new ATOM 0 HG12 ILE A 36 9.947 -32.929 1.600 1.00 11.41 H new ATOM 0 HG13 ILE A 36 8.606 -32.253 2.503 1.00 11.41 H new ATOM 0 HG21 ILE A 36 11.287 -30.243 0.866 1.00 70.14 H new ATOM 0 HG22 ILE A 36 12.281 -30.057 2.331 1.00 70.14 H new ATOM 0 HG23 ILE A 36 12.184 -31.636 1.517 1.00 70.14 H new ATOM 0 HD11 ILE A 36 8.235 -32.043 0.094 1.00 13.22 H new ATOM 0 HD12 ILE A 36 8.388 -30.436 0.843 1.00 13.22 H new ATOM 0 HD13 ILE A 36 9.750 -31.124 -0.074 1.00 13.22 H new ATOM 594 N GLU A 37 13.100 -31.164 4.802 1.00 4.24 N ATOM 595 CA GLU A 37 14.052 -30.275 5.481 1.00 14.45 C ATOM 596 C GLU A 37 14.295 -28.997 4.659 1.00 4.02 C ATOM 597 O GLU A 37 14.386 -29.032 3.430 1.00 41.33 O ATOM 598 CB GLU A 37 15.375 -30.995 5.790 1.00 43.32 C ATOM 599 CG GLU A 37 16.146 -31.484 4.570 1.00 31.04 C ATOM 600 CD GLU A 37 17.458 -32.156 4.952 1.00 14.10 C ATOM 601 OE1 GLU A 37 18.374 -31.450 5.423 1.00 24.34 O ATOM 602 OE2 GLU A 37 17.576 -33.391 4.793 1.00 13.41 O ATOM 0 H GLU A 37 13.509 -32.018 4.422 1.00 4.24 H new ATOM 0 HA GLU A 37 13.609 -29.984 6.433 1.00 14.45 H new ATOM 0 HB2 GLU A 37 16.015 -30.319 6.357 1.00 43.32 H new ATOM 0 HB3 GLU A 37 15.164 -31.849 6.433 1.00 43.32 H new ATOM 0 HG2 GLU A 37 15.529 -32.187 4.010 1.00 31.04 H new ATOM 0 HG3 GLU A 37 16.350 -30.642 3.909 1.00 31.04 H new ATOM 609 N GLY A 38 14.381 -27.865 5.351 1.00 53.51 N ATOM 610 CA GLY A 38 14.433 -26.568 4.685 1.00 35.54 C ATOM 611 C GLY A 38 13.042 -25.972 4.448 1.00 10.44 C ATOM 612 O GLY A 38 12.908 -24.782 4.160 1.00 30.50 O ATOM 0 H GLY A 38 14.416 -27.819 6.369 1.00 53.51 H new ATOM 0 HA2 GLY A 38 15.022 -25.877 5.288 1.00 35.54 H new ATOM 0 HA3 GLY A 38 14.946 -26.675 3.729 1.00 35.54 H new ATOM 616 N VAL A 39 12.002 -26.804 4.574 1.00 71.11 N ATOM 617 CA VAL A 39 10.615 -26.368 4.348 1.00 31.24 C ATOM 618 C VAL A 39 9.724 -26.644 5.577 1.00 60.23 C ATOM 619 O VAL A 39 9.360 -25.725 6.310 1.00 34.24 O ATOM 620 CB VAL A 39 10.005 -27.067 3.101 1.00 13.34 C ATOM 621 CG1 VAL A 39 8.584 -26.569 2.837 1.00 3.11 C ATOM 622 CG2 VAL A 39 10.895 -26.861 1.872 1.00 31.42 C ATOM 0 H VAL A 39 12.093 -27.787 4.832 1.00 71.11 H new ATOM 0 HA VAL A 39 10.647 -25.292 4.176 1.00 31.24 H new ATOM 0 HB VAL A 39 9.953 -28.137 3.304 1.00 13.34 H new ATOM 0 HG11 VAL A 39 8.179 -27.073 1.959 1.00 3.11 H new ATOM 0 HG12 VAL A 39 7.956 -26.785 3.702 1.00 3.11 H new ATOM 0 HG13 VAL A 39 8.602 -25.493 2.662 1.00 3.11 H new ATOM 0 HG21 VAL A 39 10.448 -27.359 1.012 1.00 31.42 H new ATOM 0 HG22 VAL A 39 10.989 -25.795 1.666 1.00 31.42 H new ATOM 0 HG23 VAL A 39 11.882 -27.282 2.063 1.00 31.42 H new ATOM 632 N HIS A 40 9.389 -27.919 5.808 1.00 51.40 N ATOM 633 CA HIS A 40 8.511 -28.300 6.930 1.00 44.51 C ATOM 634 C HIS A 40 9.300 -28.509 8.237 1.00 52.44 C ATOM 635 O HIS A 40 8.712 -28.642 9.308 1.00 74.35 O ATOM 636 CB HIS A 40 7.708 -29.570 6.584 1.00 33.24 C ATOM 637 CG HIS A 40 6.687 -29.366 5.497 1.00 41.24 C ATOM 638 ND1 HIS A 40 6.636 -30.111 4.331 1.00 44.40 N ATOM 639 CD2 HIS A 40 5.667 -28.484 5.409 1.00 63.32 C ATOM 640 CE1 HIS A 40 5.637 -29.683 3.582 1.00 72.41 C ATOM 641 NE2 HIS A 40 5.034 -28.699 4.213 1.00 32.42 N ATOM 0 H HIS A 40 9.708 -28.703 5.239 1.00 51.40 H new ATOM 0 HA HIS A 40 7.819 -27.473 7.092 1.00 44.51 H new ATOM 0 HB2 HIS A 40 8.400 -30.354 6.277 1.00 33.24 H new ATOM 0 HB3 HIS A 40 7.203 -29.925 7.482 1.00 33.24 H new ATOM 0 HD1 HIS A 40 7.271 -30.872 4.089 1.00 44.40 H new ATOM 0 HD2 HIS A 40 5.399 -27.743 6.148 1.00 63.32 H new ATOM 0 HE1 HIS A 40 5.361 -30.075 2.614 1.00 72.41 H new ATOM 650 N PHE A 41 10.626 -28.545 8.134 1.00 21.33 N ATOM 651 CA PHE A 41 11.512 -28.661 9.304 1.00 1.40 C ATOM 652 C PHE A 41 12.967 -28.439 8.879 1.00 52.15 C ATOM 653 O PHE A 41 13.237 -28.221 7.702 1.00 21.11 O ATOM 654 CB PHE A 41 11.368 -30.041 9.975 1.00 10.24 C ATOM 655 CG PHE A 41 11.922 -31.196 9.168 1.00 75.53 C ATOM 656 CD1 PHE A 41 11.138 -31.853 8.229 1.00 71.34 C ATOM 657 CD2 PHE A 41 13.229 -31.631 9.359 1.00 5.42 C ATOM 658 CE1 PHE A 41 11.645 -32.914 7.504 1.00 33.30 C ATOM 659 CE2 PHE A 41 13.737 -32.691 8.633 1.00 50.21 C ATOM 660 CZ PHE A 41 12.943 -33.332 7.704 1.00 55.31 C ATOM 0 H PHE A 41 11.121 -28.495 7.244 1.00 21.33 H new ATOM 0 HA PHE A 41 11.223 -27.898 10.027 1.00 1.40 H new ATOM 0 HB2 PHE A 41 11.873 -30.015 10.941 1.00 10.24 H new ATOM 0 HB3 PHE A 41 10.312 -30.226 10.172 1.00 10.24 H new ATOM 0 HD1 PHE A 41 10.120 -31.531 8.064 1.00 71.34 H new ATOM 0 HD2 PHE A 41 13.855 -31.133 10.085 1.00 5.42 H new ATOM 0 HE1 PHE A 41 11.023 -33.417 6.779 1.00 33.30 H new ATOM 0 HE2 PHE A 41 14.754 -33.017 8.792 1.00 50.21 H new ATOM 0 HZ PHE A 41 13.338 -34.160 7.134 1.00 55.31 H new ATOM 670 N LYS A 42 13.897 -28.492 9.829 1.00 54.13 N ATOM 671 CA LYS A 42 15.327 -28.450 9.499 1.00 23.31 C ATOM 672 C LYS A 42 16.180 -29.057 10.625 1.00 64.40 C ATOM 673 O LYS A 42 15.814 -28.999 11.801 1.00 54.04 O ATOM 674 CB LYS A 42 15.773 -27.010 9.184 1.00 72.44 C ATOM 675 CG LYS A 42 15.920 -26.096 10.400 1.00 71.34 C ATOM 676 CD LYS A 42 16.052 -24.627 9.983 1.00 13.14 C ATOM 677 CE LYS A 42 16.634 -23.763 11.094 1.00 71.32 C ATOM 678 NZ LYS A 42 18.085 -24.023 11.289 1.00 74.12 N ATOM 0 H LYS A 42 13.693 -28.563 10.826 1.00 54.13 H new ATOM 0 HA LYS A 42 15.481 -29.057 8.607 1.00 23.31 H new ATOM 0 HB2 LYS A 42 16.728 -27.048 8.660 1.00 72.44 H new ATOM 0 HB3 LYS A 42 15.052 -26.564 8.499 1.00 72.44 H new ATOM 0 HG2 LYS A 42 15.055 -26.214 11.053 1.00 71.34 H new ATOM 0 HG3 LYS A 42 16.797 -26.392 10.976 1.00 71.34 H new ATOM 0 HD2 LYS A 42 16.688 -24.558 9.100 1.00 13.14 H new ATOM 0 HD3 LYS A 42 15.072 -24.242 9.701 1.00 13.14 H new ATOM 0 HE2 LYS A 42 16.482 -22.711 10.854 1.00 71.32 H new ATOM 0 HE3 LYS A 42 16.101 -23.958 12.024 1.00 71.32 H new ATOM 0 HZ1 LYS A 42 18.295 -24.072 12.306 1.00 74.12 H new ATOM 0 HZ2 LYS A 42 18.340 -24.925 10.839 1.00 74.12 H new ATOM 0 HZ3 LYS A 42 18.636 -23.253 10.859 1.00 74.12 H new ATOM 692 N ARG A 43 17.312 -29.650 10.253 1.00 72.33 N ATOM 693 CA ARG A 43 18.186 -30.335 11.211 1.00 3.54 C ATOM 694 C ARG A 43 19.046 -29.342 12.008 1.00 45.14 C ATOM 695 O ARG A 43 20.027 -28.793 11.499 1.00 71.32 O ATOM 696 CB ARG A 43 19.076 -31.348 10.475 1.00 61.12 C ATOM 697 CG ARG A 43 18.308 -32.535 9.896 1.00 55.30 C ATOM 698 CD ARG A 43 19.187 -33.387 8.986 1.00 70.54 C ATOM 699 NE ARG A 43 19.547 -32.676 7.760 1.00 51.23 N ATOM 700 CZ ARG A 43 20.715 -32.733 7.181 1.00 2.41 C ATOM 701 NH1 ARG A 43 21.650 -33.509 7.636 1.00 44.12 N ATOM 702 NH2 ARG A 43 20.925 -32.032 6.120 1.00 44.44 N ATOM 0 H ARG A 43 17.649 -29.671 9.291 1.00 72.33 H new ATOM 0 HA ARG A 43 17.554 -30.863 11.925 1.00 3.54 H new ATOM 0 HB2 ARG A 43 19.601 -30.838 9.667 1.00 61.12 H new ATOM 0 HB3 ARG A 43 19.835 -31.719 11.164 1.00 61.12 H new ATOM 0 HG2 ARG A 43 17.922 -33.150 10.709 1.00 55.30 H new ATOM 0 HG3 ARG A 43 17.447 -32.172 9.335 1.00 55.30 H new ATOM 0 HD2 ARG A 43 20.093 -33.673 9.520 1.00 70.54 H new ATOM 0 HD3 ARG A 43 18.662 -34.308 8.732 1.00 70.54 H new ATOM 0 HE ARG A 43 18.832 -32.092 7.325 1.00 51.23 H new ATOM 0 HH11 ARG A 43 21.478 -34.087 8.459 1.00 44.12 H new ATOM 0 HH12 ARG A 43 22.557 -33.541 7.171 1.00 44.12 H new ATOM 0 HH21 ARG A 43 20.183 -31.442 5.743 1.00 44.44 H new ATOM 0 HH22 ARG A 43 21.833 -32.067 5.657 1.00 44.44 H new ATOM 716 N VAL A 44 18.665 -29.112 13.261 1.00 5.43 N ATOM 717 CA VAL A 44 19.398 -28.203 14.148 1.00 61.12 C ATOM 718 C VAL A 44 20.306 -28.983 15.108 1.00 53.31 C ATOM 719 O VAL A 44 19.956 -30.072 15.564 1.00 63.14 O ATOM 720 CB VAL A 44 18.417 -27.321 14.959 1.00 62.33 C ATOM 721 CG1 VAL A 44 19.164 -26.371 15.896 1.00 62.21 C ATOM 722 CG2 VAL A 44 17.493 -26.547 14.018 1.00 74.53 C ATOM 0 H VAL A 44 17.847 -29.544 13.691 1.00 5.43 H new ATOM 0 HA VAL A 44 20.020 -27.562 13.523 1.00 61.12 H new ATOM 0 HB VAL A 44 17.807 -27.978 15.579 1.00 62.33 H new ATOM 0 HG11 VAL A 44 18.446 -25.767 16.450 1.00 62.21 H new ATOM 0 HG12 VAL A 44 19.767 -26.950 16.596 1.00 62.21 H new ATOM 0 HG13 VAL A 44 19.812 -25.718 15.311 1.00 62.21 H new ATOM 0 HG21 VAL A 44 16.810 -25.932 14.604 1.00 74.53 H new ATOM 0 HG22 VAL A 44 18.089 -25.908 13.367 1.00 74.53 H new ATOM 0 HG23 VAL A 44 16.920 -27.249 13.412 1.00 74.53 H new ATOM 876 N THR A 55 18.824 -32.451 16.526 1.00 3.02 N ATOM 877 CA THR A 55 17.474 -32.125 17.004 1.00 52.33 C ATOM 878 C THR A 55 16.626 -31.532 15.872 1.00 74.05 C ATOM 879 O THR A 55 16.970 -30.497 15.299 1.00 72.43 O ATOM 880 CB THR A 55 17.508 -31.124 18.190 1.00 43.41 C ATOM 881 OG1 THR A 55 18.298 -31.655 19.271 1.00 1.01 O ATOM 882 CG2 THR A 55 16.100 -30.821 18.696 1.00 73.12 C ATOM 0 HA THR A 55 17.027 -33.057 17.349 1.00 52.33 H new ATOM 0 HB THR A 55 17.957 -30.199 17.829 1.00 43.41 H new ATOM 0 HG1 THR A 55 19.000 -32.235 18.909 1.00 1.01 H new ATOM 0 HG21 THR A 55 16.155 -30.117 19.527 1.00 73.12 H new ATOM 0 HG22 THR A 55 15.510 -30.385 17.890 1.00 73.12 H new ATOM 0 HG23 THR A 55 15.628 -31.744 19.033 1.00 73.12 H new ATOM 890 N THR A 56 15.521 -32.193 15.542 1.00 13.12 N ATOM 891 CA THR A 56 14.655 -31.738 14.450 1.00 75.31 C ATOM 892 C THR A 56 13.620 -30.709 14.927 1.00 2.44 C ATOM 893 O THR A 56 12.643 -31.052 15.598 1.00 31.32 O ATOM 894 CB THR A 56 13.912 -32.921 13.783 1.00 4.32 C ATOM 895 OG1 THR A 56 14.854 -33.888 13.291 1.00 63.30 O ATOM 896 CG2 THR A 56 13.029 -32.445 12.637 1.00 12.30 C ATOM 0 H THR A 56 15.202 -33.041 16.010 1.00 13.12 H new ATOM 0 HA THR A 56 15.313 -31.266 13.720 1.00 75.31 H new ATOM 0 HB THR A 56 13.278 -33.382 14.541 1.00 4.32 H new ATOM 0 HG1 THR A 56 14.371 -34.632 12.873 1.00 63.30 H new ATOM 0 HG21 THR A 56 12.521 -33.300 12.190 1.00 12.30 H new ATOM 0 HG22 THR A 56 12.289 -31.741 13.016 1.00 12.30 H new ATOM 0 HG23 THR A 56 13.644 -31.954 11.883 1.00 12.30 H new ATOM 904 N TRP A 57 13.846 -29.447 14.576 1.00 44.12 N ATOM 905 CA TRP A 57 12.892 -28.374 14.867 1.00 71.24 C ATOM 906 C TRP A 57 11.917 -28.204 13.691 1.00 31.04 C ATOM 907 O TRP A 57 12.333 -27.965 12.554 1.00 61.10 O ATOM 908 CB TRP A 57 13.636 -27.057 15.144 1.00 12.02 C ATOM 909 CG TRP A 57 14.492 -27.094 16.381 1.00 35.12 C ATOM 910 CD1 TRP A 57 15.565 -27.904 16.611 1.00 23.55 C ATOM 911 CD2 TRP A 57 14.352 -26.276 17.550 1.00 13.12 C ATOM 912 NE1 TRP A 57 16.101 -27.641 17.846 1.00 23.51 N ATOM 913 CE2 TRP A 57 15.373 -26.648 18.444 1.00 34.03 C ATOM 914 CE3 TRP A 57 13.463 -25.266 17.927 1.00 14.23 C ATOM 915 CZ2 TRP A 57 15.528 -26.046 19.690 1.00 72.55 C ATOM 916 CZ3 TRP A 57 13.618 -24.668 19.163 1.00 53.40 C ATOM 917 CH2 TRP A 57 14.643 -25.059 20.033 1.00 5.01 C ATOM 0 H TRP A 57 14.686 -29.138 14.087 1.00 44.12 H new ATOM 0 HA TRP A 57 12.323 -28.641 15.758 1.00 71.24 H new ATOM 0 HB2 TRP A 57 14.264 -26.817 14.286 1.00 12.02 H new ATOM 0 HB3 TRP A 57 12.908 -26.252 15.241 1.00 12.02 H new ATOM 0 HD1 TRP A 57 15.939 -28.645 15.920 1.00 23.55 H new ATOM 0 HE1 TRP A 57 16.911 -28.109 18.253 1.00 23.51 H new ATOM 0 HE3 TRP A 57 12.668 -24.958 17.264 1.00 14.23 H new ATOM 0 HZ2 TRP A 57 16.318 -26.347 20.362 1.00 72.55 H new ATOM 0 HZ3 TRP A 57 12.937 -23.886 19.463 1.00 53.40 H new ATOM 0 HH2 TRP A 57 14.737 -24.573 20.993 1.00 5.01 H new ATOM 928 N TYR A 58 10.624 -28.348 13.968 1.00 33.23 N ATOM 929 CA TYR A 58 9.592 -28.328 12.925 1.00 22.21 C ATOM 930 C TYR A 58 9.040 -26.915 12.654 1.00 62.31 C ATOM 931 O TYR A 58 8.909 -26.096 13.566 1.00 21.44 O ATOM 932 CB TYR A 58 8.452 -29.275 13.317 1.00 32.03 C ATOM 933 CG TYR A 58 8.877 -30.732 13.405 1.00 32.31 C ATOM 934 CD1 TYR A 58 9.105 -31.475 12.253 1.00 44.13 C ATOM 935 CD2 TYR A 58 9.055 -31.361 14.634 1.00 31.33 C ATOM 936 CE1 TYR A 58 9.500 -32.796 12.322 1.00 13.11 C ATOM 937 CE2 TYR A 58 9.454 -32.683 14.706 1.00 72.35 C ATOM 938 CZ TYR A 58 9.671 -33.396 13.547 1.00 61.55 C ATOM 939 OH TYR A 58 10.075 -34.711 13.613 1.00 63.24 O ATOM 0 H TYR A 58 10.260 -28.481 14.912 1.00 33.23 H new ATOM 0 HA TYR A 58 10.059 -28.663 11.999 1.00 22.21 H new ATOM 0 HB2 TYR A 58 8.047 -28.964 14.280 1.00 32.03 H new ATOM 0 HB3 TYR A 58 7.647 -29.183 12.588 1.00 32.03 H new ATOM 0 HD1 TYR A 58 8.971 -31.011 11.287 1.00 44.13 H new ATOM 0 HD2 TYR A 58 8.879 -30.808 15.545 1.00 31.33 H new ATOM 0 HE1 TYR A 58 9.674 -33.357 11.416 1.00 13.11 H new ATOM 0 HE2 TYR A 58 9.595 -33.155 15.667 1.00 72.35 H new ATOM 0 HH TYR A 58 10.150 -34.984 14.551 1.00 63.24 H new ATOM 949 N ASN A 59 8.714 -26.653 11.385 1.00 11.21 N ATOM 950 CA ASN A 59 8.170 -25.360 10.949 1.00 64.11 C ATOM 951 C ASN A 59 6.643 -25.319 11.140 1.00 53.04 C ATOM 952 O ASN A 59 5.890 -25.814 10.297 1.00 73.53 O ATOM 953 CB ASN A 59 8.531 -25.135 9.469 1.00 55.45 C ATOM 954 CG ASN A 59 8.212 -23.735 8.960 1.00 51.34 C ATOM 955 OD1 ASN A 59 7.320 -23.059 9.453 1.00 43.24 O ATOM 956 ND2 ASN A 59 8.922 -23.302 7.938 1.00 13.32 N ATOM 0 H ASN A 59 8.819 -27.330 10.630 1.00 11.21 H new ATOM 0 HA ASN A 59 8.605 -24.566 11.556 1.00 64.11 H new ATOM 0 HB2 ASN A 59 9.595 -25.327 9.332 1.00 55.45 H new ATOM 0 HB3 ASN A 59 7.995 -25.863 8.860 1.00 55.45 H new ATOM 0 HD21 ASN A 59 8.733 -22.382 7.539 1.00 13.32 H new ATOM 0 HD22 ASN A 59 9.660 -23.886 7.546 1.00 13.32 H new ATOM 963 N TYR A 60 6.195 -24.738 12.257 1.00 71.44 N ATOM 964 CA TYR A 60 4.760 -24.677 12.591 1.00 2.03 C ATOM 965 C TYR A 60 3.905 -24.089 11.437 1.00 61.23 C ATOM 966 O TYR A 60 2.920 -24.711 11.025 1.00 32.02 O ATOM 967 CB TYR A 60 4.549 -23.880 13.894 1.00 11.11 C ATOM 968 CG TYR A 60 3.090 -23.695 14.291 1.00 72.10 C ATOM 969 CD1 TYR A 60 2.414 -24.678 15.008 1.00 3.02 C ATOM 970 CD2 TYR A 60 2.394 -22.535 13.958 1.00 5.32 C ATOM 971 CE1 TYR A 60 1.092 -24.509 15.381 1.00 11.20 C ATOM 972 CE2 TYR A 60 1.072 -22.363 14.326 1.00 71.31 C ATOM 973 CZ TYR A 60 0.426 -23.352 15.038 1.00 22.23 C ATOM 974 OH TYR A 60 -0.891 -23.180 15.411 1.00 11.53 O ATOM 0 H TYR A 60 6.803 -24.301 12.950 1.00 71.44 H new ATOM 0 HA TYR A 60 4.418 -25.701 12.741 1.00 2.03 H new ATOM 0 HB2 TYR A 60 5.072 -24.388 14.705 1.00 11.11 H new ATOM 0 HB3 TYR A 60 5.010 -22.898 13.783 1.00 11.11 H new ATOM 0 HD1 TYR A 60 2.930 -25.588 15.278 1.00 3.02 H new ATOM 0 HD2 TYR A 60 2.896 -21.756 13.403 1.00 5.32 H new ATOM 0 HE1 TYR A 60 0.584 -25.281 15.939 1.00 11.20 H new ATOM 0 HE2 TYR A 60 0.548 -21.458 14.057 1.00 71.31 H new ATOM 0 HH TYR A 60 -1.125 -23.838 16.098 1.00 11.53 H new ATOM 984 N PRO A 61 4.246 -22.886 10.904 1.00 34.32 N ATOM 985 CA PRO A 61 3.520 -22.292 9.760 1.00 73.54 C ATOM 986 C PRO A 61 3.362 -23.252 8.564 1.00 54.50 C ATOM 987 O PRO A 61 2.255 -23.440 8.048 1.00 70.35 O ATOM 988 CB PRO A 61 4.397 -21.093 9.375 1.00 45.41 C ATOM 989 CG PRO A 61 5.068 -20.701 10.645 1.00 42.25 C ATOM 990 CD PRO A 61 5.325 -21.990 11.383 1.00 0.13 C ATOM 0 HA PRO A 61 2.496 -22.033 10.030 1.00 73.54 H new ATOM 0 HB2 PRO A 61 5.124 -21.362 8.609 1.00 45.41 H new ATOM 0 HB3 PRO A 61 3.798 -20.276 8.973 1.00 45.41 H new ATOM 0 HG2 PRO A 61 5.999 -20.170 10.448 1.00 42.25 H new ATOM 0 HG3 PRO A 61 4.437 -20.033 11.231 1.00 42.25 H new ATOM 0 HD2 PRO A 61 6.312 -22.393 11.155 1.00 0.13 H new ATOM 0 HD3 PRO A 61 5.280 -21.850 12.463 1.00 0.13 H new ATOM 998 N GLU A 62 4.465 -23.864 8.132 1.00 20.53 N ATOM 999 CA GLU A 62 4.441 -24.765 6.971 1.00 74.30 C ATOM 1000 C GLU A 62 3.721 -26.091 7.280 1.00 15.32 C ATOM 1001 O GLU A 62 3.157 -26.721 6.385 1.00 74.54 O ATOM 1002 CB GLU A 62 5.868 -25.033 6.452 1.00 2.41 C ATOM 1003 CG GLU A 62 6.162 -24.392 5.094 1.00 51.11 C ATOM 1004 CD GLU A 62 5.173 -24.824 4.014 1.00 30.31 C ATOM 1005 OE1 GLU A 62 5.221 -26.000 3.590 1.00 75.20 O ATOM 1006 OE2 GLU A 62 4.345 -23.993 3.585 1.00 20.34 O ATOM 0 H GLU A 62 5.383 -23.756 8.563 1.00 20.53 H new ATOM 0 HA GLU A 62 3.874 -24.261 6.189 1.00 74.30 H new ATOM 0 HB2 GLU A 62 6.586 -24.660 7.182 1.00 2.41 H new ATOM 0 HB3 GLU A 62 6.021 -26.110 6.376 1.00 2.41 H new ATOM 0 HG2 GLU A 62 6.133 -23.307 5.195 1.00 51.11 H new ATOM 0 HG3 GLU A 62 7.173 -24.657 4.783 1.00 51.11 H new ATOM 1013 N ILE A 63 3.744 -26.523 8.538 1.00 65.13 N ATOM 1014 CA ILE A 63 2.983 -27.708 8.945 1.00 72.14 C ATOM 1015 C ILE A 63 1.477 -27.414 8.925 1.00 60.41 C ATOM 1016 O ILE A 63 0.682 -28.229 8.457 1.00 73.00 O ATOM 1017 CB ILE A 63 3.415 -28.216 10.343 1.00 70.11 C ATOM 1018 CG1 ILE A 63 4.855 -28.752 10.281 1.00 14.03 C ATOM 1019 CG2 ILE A 63 2.456 -29.292 10.859 1.00 62.25 C ATOM 1020 CD1 ILE A 63 5.349 -29.344 11.582 1.00 22.33 C ATOM 0 H ILE A 63 4.274 -26.079 9.288 1.00 65.13 H new ATOM 0 HA ILE A 63 3.199 -28.498 8.226 1.00 72.14 H new ATOM 0 HB ILE A 63 3.379 -27.381 11.042 1.00 70.11 H new ATOM 0 HG12 ILE A 63 4.915 -29.512 9.502 1.00 14.03 H new ATOM 0 HG13 ILE A 63 5.521 -27.941 9.987 1.00 14.03 H new ATOM 0 HG21 ILE A 63 2.784 -29.630 11.842 1.00 62.25 H new ATOM 0 HG22 ILE A 63 1.451 -28.878 10.934 1.00 62.25 H new ATOM 0 HG23 ILE A 63 2.450 -30.135 10.169 1.00 62.25 H new ATOM 0 HD11 ILE A 63 6.372 -29.699 11.455 1.00 22.33 H new ATOM 0 HD12 ILE A 63 5.323 -28.582 12.361 1.00 22.33 H new ATOM 0 HD13 ILE A 63 4.708 -30.178 11.869 1.00 22.33 H new ATOM 1032 N ASN A 64 1.090 -26.235 9.413 1.00 72.30 N ATOM 1033 CA ASN A 64 -0.306 -25.784 9.330 1.00 32.31 C ATOM 1034 C ASN A 64 -0.760 -25.709 7.859 1.00 41.22 C ATOM 1035 O ASN A 64 -1.919 -25.982 7.536 1.00 75.14 O ATOM 1036 CB ASN A 64 -0.469 -24.422 10.020 1.00 3.10 C ATOM 1037 CG ASN A 64 -1.911 -23.932 10.021 1.00 21.45 C ATOM 1038 OD1 ASN A 64 -2.340 -23.227 9.114 1.00 63.02 O ATOM 1039 ND2 ASN A 64 -2.671 -24.305 11.033 1.00 32.34 N ATOM 0 H ASN A 64 1.719 -25.574 9.869 1.00 72.30 H new ATOM 0 HA ASN A 64 -0.938 -26.507 9.846 1.00 32.31 H new ATOM 0 HB2 ASN A 64 -0.114 -24.495 11.048 1.00 3.10 H new ATOM 0 HB3 ASN A 64 0.160 -23.687 9.517 1.00 3.10 H new ATOM 0 HD21 ASN A 64 -3.645 -24.006 11.076 1.00 32.34 H new ATOM 0 HD22 ASN A 64 -2.284 -24.892 11.772 1.00 32.34 H new ATOM 1046 N LYS A 65 0.176 -25.348 6.976 1.00 64.32 N ATOM 1047 CA LYS A 65 -0.058 -25.357 5.523 1.00 32.43 C ATOM 1048 C LYS A 65 -0.441 -26.762 5.028 1.00 53.41 C ATOM 1049 O LYS A 65 -1.178 -26.904 4.059 1.00 3.50 O ATOM 1050 CB LYS A 65 1.204 -24.878 4.786 1.00 41.02 C ATOM 1051 CG LYS A 65 1.111 -24.946 3.261 1.00 33.43 C ATOM 1052 CD LYS A 65 0.323 -23.779 2.670 1.00 50.52 C ATOM 1053 CE LYS A 65 1.073 -22.459 2.825 1.00 1.15 C ATOM 1054 NZ LYS A 65 2.438 -22.523 2.229 1.00 41.41 N ATOM 0 H LYS A 65 1.112 -25.043 7.242 1.00 64.32 H new ATOM 0 HA LYS A 65 -0.887 -24.681 5.312 1.00 32.43 H new ATOM 0 HB2 LYS A 65 1.412 -23.849 5.079 1.00 41.02 H new ATOM 0 HB3 LYS A 65 2.051 -25.481 5.113 1.00 41.02 H new ATOM 0 HG2 LYS A 65 2.116 -24.952 2.839 1.00 33.43 H new ATOM 0 HG3 LYS A 65 0.638 -25.884 2.971 1.00 33.43 H new ATOM 0 HD2 LYS A 65 0.131 -23.967 1.614 1.00 50.52 H new ATOM 0 HD3 LYS A 65 -0.647 -23.707 3.163 1.00 50.52 H new ATOM 0 HE2 LYS A 65 0.505 -21.660 2.347 1.00 1.15 H new ATOM 0 HE3 LYS A 65 1.150 -22.207 3.883 1.00 1.15 H new ATOM 0 HZ1 LYS A 65 2.741 -21.568 1.951 1.00 41.41 H new ATOM 0 HZ2 LYS A 65 3.105 -22.908 2.928 1.00 41.41 H new ATOM 0 HZ3 LYS A 65 2.422 -23.138 1.391 1.00 41.41 H new ATOM 1068 N PHE A 66 0.088 -27.794 5.679 1.00 65.01 N ATOM 1069 CA PHE A 66 -0.282 -29.177 5.359 1.00 61.10 C ATOM 1070 C PHE A 66 -1.553 -29.604 6.117 1.00 71.24 C ATOM 1071 O PHE A 66 -2.348 -30.409 5.628 1.00 65.42 O ATOM 1072 CB PHE A 66 0.874 -30.132 5.682 1.00 44.55 C ATOM 1073 CG PHE A 66 0.596 -31.561 5.284 1.00 72.24 C ATOM 1074 CD1 PHE A 66 0.761 -31.974 3.968 1.00 50.34 C ATOM 1075 CD2 PHE A 66 0.155 -32.486 6.220 1.00 22.32 C ATOM 1076 CE1 PHE A 66 0.495 -33.280 3.598 1.00 23.35 C ATOM 1077 CE2 PHE A 66 -0.116 -33.789 5.854 1.00 31.12 C ATOM 1078 CZ PHE A 66 0.055 -34.188 4.543 1.00 35.40 C ATOM 0 H PHE A 66 0.773 -27.704 6.430 1.00 65.01 H new ATOM 0 HA PHE A 66 -0.492 -29.227 4.291 1.00 61.10 H new ATOM 0 HB2 PHE A 66 1.774 -29.788 5.171 1.00 44.55 H new ATOM 0 HB3 PHE A 66 1.080 -30.093 6.752 1.00 44.55 H new ATOM 0 HD1 PHE A 66 1.101 -31.267 3.225 1.00 50.34 H new ATOM 0 HD2 PHE A 66 0.022 -32.182 7.248 1.00 22.32 H new ATOM 0 HE1 PHE A 66 0.631 -33.590 2.572 1.00 23.35 H new ATOM 0 HE2 PHE A 66 -0.462 -34.497 6.593 1.00 31.12 H new ATOM 0 HZ PHE A 66 -0.155 -35.208 4.256 1.00 35.40 H new ATOM 1088 N ILE A 67 -1.738 -29.066 7.321 1.00 20.23 N ATOM 1089 CA ILE A 67 -2.918 -29.379 8.134 1.00 72.44 C ATOM 1090 C ILE A 67 -4.217 -28.970 7.421 1.00 50.11 C ATOM 1091 O ILE A 67 -5.224 -29.678 7.501 1.00 3.21 O ATOM 1092 CB ILE A 67 -2.841 -28.696 9.525 1.00 24.34 C ATOM 1093 CG1 ILE A 67 -1.636 -29.240 10.315 1.00 23.33 C ATOM 1094 CG2 ILE A 67 -4.137 -28.901 10.312 1.00 24.45 C ATOM 1095 CD1 ILE A 67 -1.435 -28.579 11.662 1.00 72.25 C ATOM 0 H ILE A 67 -1.088 -28.412 7.757 1.00 20.23 H new ATOM 0 HA ILE A 67 -2.929 -30.460 8.277 1.00 72.44 H new ATOM 0 HB ILE A 67 -2.709 -27.625 9.374 1.00 24.34 H new ATOM 0 HG12 ILE A 67 -1.766 -30.312 10.463 1.00 23.33 H new ATOM 0 HG13 ILE A 67 -0.733 -29.108 9.718 1.00 23.33 H new ATOM 0 HG21 ILE A 67 -4.055 -28.412 11.283 1.00 24.45 H new ATOM 0 HG22 ILE A 67 -4.971 -28.470 9.758 1.00 24.45 H new ATOM 0 HG23 ILE A 67 -4.310 -29.967 10.457 1.00 24.45 H new ATOM 0 HD11 ILE A 67 -0.568 -29.017 12.156 1.00 72.25 H new ATOM 0 HD12 ILE A 67 -1.272 -27.510 11.522 1.00 72.25 H new ATOM 0 HD13 ILE A 67 -2.320 -28.733 12.279 1.00 72.25 H new