USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 755 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 29 TYR OH : rot 70:sc= 0.837 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 97 THR OG1 : rot -113:sc= 0.431 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000173) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.000207 K(o=-0.00021,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.36 K(o=0.36,f=-6!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.395 USER MOD Single : A 47 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 54 SER OG : rot 180:sc= 0.124 USER MOD Single : A 57 CYS SG : rot -130:sc= -0.618 USER MOD Single : A 59 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.11) USER MOD Single : A 63 GLN : amide:sc= -0.0392 K(o=-0.039,f=-0.84) USER MOD Single : A 65 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 62:sc= 0.279 USER MOD Single : A 72 SER OG : rot 180:sc= 0.145 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -100:sc= -0.919 USER MOD Single : A 89 HIS : no HD1:sc= 0.0824 K(o=0.082,f=-1.2) USER MOD Single : A 90 GLN : amide:sc= -0.394 K(o=-0.39,f=-0.96) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N LEU A 13 -7.198 -6.022 2.623 1.00 51.03 N ATOM 139 CA LEU A 13 -6.201 -5.855 3.674 1.00 61.55 C ATOM 140 C LEU A 13 -5.598 -7.199 4.070 1.00 11.23 C ATOM 141 O LEU A 13 -4.400 -7.299 4.334 1.00 44.13 O ATOM 142 CB LEU A 13 -6.828 -5.185 4.897 1.00 3.41 C ATOM 143 CG LEU A 13 -5.862 -4.458 5.833 1.00 41.40 C ATOM 144 CD1 LEU A 13 -6.627 -3.621 6.845 1.00 2.42 C ATOM 145 CD2 LEU A 13 -4.953 -5.453 6.539 1.00 35.02 C ATOM 0 HA LEU A 13 -5.404 -5.219 3.288 1.00 61.55 H new ATOM 0 HB2 LEU A 13 -7.575 -4.470 4.552 1.00 3.41 H new ATOM 0 HB3 LEU A 13 -7.356 -5.945 5.472 1.00 3.41 H new ATOM 0 HG LEU A 13 -5.242 -3.790 5.236 1.00 41.40 H new ATOM 0 HD11 LEU A 13 -5.923 -3.111 7.502 1.00 2.42 H new ATOM 0 HD12 LEU A 13 -7.234 -2.883 6.322 1.00 2.42 H new ATOM 0 HD13 LEU A 13 -7.273 -4.268 7.438 1.00 2.42 H new ATOM 0 HD21 LEU A 13 -4.272 -4.918 7.201 1.00 35.02 H new ATOM 0 HD22 LEU A 13 -5.557 -6.147 7.124 1.00 35.02 H new ATOM 0 HD23 LEU A 13 -4.377 -6.009 5.799 1.00 35.02 H new ATOM 157 N ASP A 14 -6.436 -8.229 4.109 1.00 64.22 N ATOM 158 CA ASP A 14 -5.984 -9.568 4.470 1.00 63.25 C ATOM 159 C ASP A 14 -4.951 -10.082 3.470 1.00 52.10 C ATOM 160 O ASP A 14 -3.971 -10.723 3.849 1.00 63.52 O ATOM 161 CB ASP A 14 -7.172 -10.530 4.533 1.00 31.31 C ATOM 162 CG ASP A 14 -7.654 -10.762 5.952 1.00 51.11 C ATOM 163 OD1 ASP A 14 -7.436 -9.875 6.804 1.00 33.13 O ATOM 164 OD2 ASP A 14 -8.250 -11.828 6.209 1.00 3.14 O ATOM 0 H ASP A 14 -7.431 -8.163 3.895 1.00 64.22 H new ATOM 0 HA ASP A 14 -5.516 -9.514 5.453 1.00 63.25 H new ATOM 0 HB2 ASP A 14 -7.991 -10.131 3.935 1.00 31.31 H new ATOM 0 HB3 ASP A 14 -6.888 -11.484 4.088 1.00 31.31 H new ATOM 169 N LYS A 15 -5.179 -9.796 2.193 1.00 60.01 N ATOM 170 CA LYS A 15 -4.270 -10.228 1.138 1.00 5.20 C ATOM 171 C LYS A 15 -2.960 -9.446 1.195 1.00 75.43 C ATOM 172 O LYS A 15 -1.886 -9.999 0.956 1.00 14.00 O ATOM 173 CB LYS A 15 -4.924 -10.047 -0.234 1.00 41.10 C ATOM 174 CG LYS A 15 -5.565 -11.314 -0.774 1.00 4.15 C ATOM 175 CD LYS A 15 -6.823 -11.675 -0.003 1.00 13.24 C ATOM 176 CE LYS A 15 -7.419 -12.986 -0.490 1.00 44.02 C ATOM 177 NZ LYS A 15 -8.813 -13.178 -0.004 1.00 11.51 N ATOM 0 H LYS A 15 -5.986 -9.267 1.863 1.00 60.01 H new ATOM 0 HA LYS A 15 -4.050 -11.284 1.292 1.00 5.20 H new ATOM 0 HB2 LYS A 15 -5.682 -9.267 -0.166 1.00 41.10 H new ATOM 0 HB3 LYS A 15 -4.172 -9.700 -0.943 1.00 41.10 H new ATOM 0 HG2 LYS A 15 -5.809 -11.179 -1.828 1.00 4.15 H new ATOM 0 HG3 LYS A 15 -4.853 -12.137 -0.715 1.00 4.15 H new ATOM 0 HD2 LYS A 15 -6.590 -11.752 1.059 1.00 13.24 H new ATOM 0 HD3 LYS A 15 -7.558 -10.878 -0.111 1.00 13.24 H new ATOM 0 HE2 LYS A 15 -7.409 -13.007 -1.580 1.00 44.02 H new ATOM 0 HE3 LYS A 15 -6.799 -13.815 -0.150 1.00 44.02 H new ATOM 0 HZ1 LYS A 15 -9.183 -14.083 -0.358 1.00 11.51 H new ATOM 0 HZ2 LYS A 15 -8.820 -13.184 1.036 1.00 11.51 H new ATOM 0 HZ3 LYS A 15 -9.411 -12.401 -0.350 1.00 11.51 H new ATOM 191 N TRP A 16 -3.058 -8.161 1.515 1.00 65.42 N ATOM 192 CA TRP A 16 -1.879 -7.305 1.605 1.00 73.21 C ATOM 193 C TRP A 16 -0.846 -7.900 2.554 1.00 62.42 C ATOM 194 O TRP A 16 0.357 -7.818 2.305 1.00 12.12 O ATOM 195 CB TRP A 16 -2.277 -5.905 2.076 1.00 64.22 C ATOM 196 CG TRP A 16 -1.102 -5.012 2.340 1.00 71.34 C ATOM 197 CD1 TRP A 16 -0.551 -4.720 3.555 1.00 54.34 C ATOM 198 CD2 TRP A 16 -0.336 -4.295 1.365 1.00 4.04 C ATOM 199 NE1 TRP A 16 0.511 -3.863 3.395 1.00 64.01 N ATOM 200 CE2 TRP A 16 0.665 -3.588 2.061 1.00 30.32 C ATOM 201 CE3 TRP A 16 -0.395 -4.182 -0.026 1.00 12.00 C ATOM 202 CZ2 TRP A 16 1.594 -2.781 1.412 1.00 45.22 C ATOM 203 CZ3 TRP A 16 0.528 -3.380 -0.669 1.00 54.03 C ATOM 204 CH2 TRP A 16 1.512 -2.688 0.048 1.00 24.32 C ATOM 0 H TRP A 16 -3.939 -7.689 1.716 1.00 65.42 H new ATOM 0 HA TRP A 16 -1.434 -7.235 0.613 1.00 73.21 H new ATOM 0 HB2 TRP A 16 -2.914 -5.443 1.322 1.00 64.22 H new ATOM 0 HB3 TRP A 16 -2.871 -5.990 2.986 1.00 64.22 H new ATOM 0 HD1 TRP A 16 -0.899 -5.106 4.502 1.00 54.34 H new ATOM 0 HE1 TRP A 16 1.091 -3.491 4.147 1.00 64.01 H new ATOM 0 HE3 TRP A 16 -1.149 -4.712 -0.589 1.00 12.00 H new ATOM 0 HZ2 TRP A 16 2.353 -2.247 1.964 1.00 45.22 H new ATOM 0 HZ3 TRP A 16 0.490 -3.285 -1.744 1.00 54.03 H new ATOM 0 HH2 TRP A 16 2.219 -2.070 -0.485 1.00 24.32 H new ATOM 215 N GLU A 17 -1.321 -8.499 3.640 1.00 21.45 N ATOM 216 CA GLU A 17 -0.436 -9.108 4.626 1.00 44.52 C ATOM 217 C GLU A 17 -0.067 -10.532 4.222 1.00 35.51 C ATOM 218 O GLU A 17 0.834 -11.141 4.798 1.00 24.41 O ATOM 219 CB GLU A 17 -1.097 -9.113 6.006 1.00 42.40 C ATOM 220 CG GLU A 17 -0.869 -7.833 6.794 1.00 61.10 C ATOM 221 CD GLU A 17 -0.959 -8.049 8.293 1.00 44.31 C ATOM 222 OE1 GLU A 17 -1.127 -9.211 8.717 1.00 41.41 O ATOM 223 OE2 GLU A 17 -0.860 -7.053 9.041 1.00 31.30 O ATOM 0 H GLU A 17 -2.314 -8.576 3.860 1.00 21.45 H new ATOM 0 HA GLU A 17 0.477 -8.514 4.671 1.00 44.52 H new ATOM 0 HB2 GLU A 17 -2.169 -9.270 5.886 1.00 42.40 H new ATOM 0 HB3 GLU A 17 -0.714 -9.957 6.580 1.00 42.40 H new ATOM 0 HG2 GLU A 17 0.112 -7.428 6.547 1.00 61.10 H new ATOM 0 HG3 GLU A 17 -1.606 -7.089 6.493 1.00 61.10 H new ATOM 230 N LYS A 18 -0.774 -11.060 3.228 1.00 55.25 N ATOM 231 CA LYS A 18 -0.524 -12.412 2.743 1.00 4.02 C ATOM 232 C LYS A 18 0.502 -12.406 1.614 1.00 13.10 C ATOM 233 O LYS A 18 0.886 -13.459 1.107 1.00 23.03 O ATOM 234 CB LYS A 18 -1.827 -13.052 2.259 1.00 12.13 C ATOM 235 CG LYS A 18 -1.915 -14.543 2.540 1.00 45.34 C ATOM 236 CD LYS A 18 -3.095 -14.872 3.437 1.00 21.44 C ATOM 237 CE LYS A 18 -4.368 -15.076 2.631 1.00 1.34 C ATOM 238 NZ LYS A 18 -5.587 -14.940 3.477 1.00 64.14 N ATOM 0 H LYS A 18 -1.526 -10.571 2.742 1.00 55.25 H new ATOM 0 HA LYS A 18 -0.124 -12.998 3.570 1.00 4.02 H new ATOM 0 HB2 LYS A 18 -2.668 -12.550 2.738 1.00 12.13 H new ATOM 0 HB3 LYS A 18 -1.926 -12.887 1.186 1.00 12.13 H new ATOM 0 HG2 LYS A 18 -2.009 -15.086 1.600 1.00 45.34 H new ATOM 0 HG3 LYS A 18 -0.992 -14.880 3.012 1.00 45.34 H new ATOM 0 HD2 LYS A 18 -2.878 -15.773 4.010 1.00 21.44 H new ATOM 0 HD3 LYS A 18 -3.243 -14.066 4.155 1.00 21.44 H new ATOM 0 HE2 LYS A 18 -4.405 -14.348 1.820 1.00 1.34 H new ATOM 0 HE3 LYS A 18 -4.353 -16.064 2.172 1.00 1.34 H new ATOM 0 HZ1 LYS A 18 -6.434 -15.086 2.891 1.00 64.14 H new ATOM 0 HZ2 LYS A 18 -5.564 -15.651 4.236 1.00 64.14 H new ATOM 0 HZ3 LYS A 18 -5.615 -13.988 3.895 1.00 64.14 H new ATOM 252 N ILE A 19 0.941 -11.212 1.228 1.00 22.31 N ATOM 253 CA ILE A 19 1.924 -11.070 0.161 1.00 52.22 C ATOM 254 C ILE A 19 3.343 -11.058 0.719 1.00 32.53 C ATOM 255 O ILE A 19 3.628 -10.379 1.705 1.00 50.42 O ATOM 256 CB ILE A 19 1.693 -9.781 -0.650 1.00 33.35 C ATOM 257 CG1 ILE A 19 0.298 -9.791 -1.278 1.00 54.11 C ATOM 258 CG2 ILE A 19 2.762 -9.630 -1.721 1.00 74.43 C ATOM 259 CD1 ILE A 19 -0.326 -8.418 -1.387 1.00 13.42 C ATOM 0 H ILE A 19 0.632 -10.331 1.638 1.00 22.31 H new ATOM 0 HA ILE A 19 1.802 -11.930 -0.497 1.00 52.22 H new ATOM 0 HB ILE A 19 1.761 -8.928 0.025 1.00 33.35 H new ATOM 0 HG12 ILE A 19 0.359 -10.233 -2.272 1.00 54.11 H new ATOM 0 HG13 ILE A 19 -0.354 -10.431 -0.684 1.00 54.11 H new ATOM 0 HG21 ILE A 19 2.585 -8.714 -2.285 1.00 74.43 H new ATOM 0 HG22 ILE A 19 3.744 -9.582 -1.251 1.00 74.43 H new ATOM 0 HG23 ILE A 19 2.724 -10.485 -2.396 1.00 74.43 H new ATOM 0 HD11 ILE A 19 -1.313 -8.502 -1.841 1.00 13.42 H new ATOM 0 HD12 ILE A 19 -0.420 -7.981 -0.393 1.00 13.42 H new ATOM 0 HD13 ILE A 19 0.305 -7.780 -2.006 1.00 13.42 H new ATOM 271 N ARG A 20 4.230 -11.815 0.080 1.00 11.55 N ATOM 272 CA ARG A 20 5.621 -11.891 0.512 1.00 73.22 C ATOM 273 C ARG A 20 6.390 -10.642 0.091 1.00 61.24 C ATOM 274 O ARG A 20 5.895 -9.828 -0.690 1.00 33.22 O ATOM 275 CB ARG A 20 6.290 -13.137 -0.071 1.00 23.22 C ATOM 276 CG ARG A 20 5.942 -14.418 0.670 1.00 24.12 C ATOM 277 CD ARG A 20 6.057 -15.634 -0.235 1.00 52.12 C ATOM 278 NE ARG A 20 5.990 -16.884 0.516 1.00 74.31 N ATOM 279 CZ ARG A 20 5.784 -18.070 -0.047 1.00 24.40 C ATOM 280 NH1 ARG A 20 5.629 -18.165 -1.360 1.00 34.40 N ATOM 281 NH2 ARG A 20 5.736 -19.163 0.703 1.00 3.42 N ATOM 0 H ARG A 20 4.010 -12.384 -0.738 1.00 11.55 H new ATOM 0 HA ARG A 20 5.635 -11.955 1.600 1.00 73.22 H new ATOM 0 HB2 ARG A 20 5.998 -13.241 -1.116 1.00 23.22 H new ATOM 0 HB3 ARG A 20 7.371 -13.000 -0.055 1.00 23.22 H new ATOM 0 HG2 ARG A 20 6.606 -14.536 1.526 1.00 24.12 H new ATOM 0 HG3 ARG A 20 4.927 -14.349 1.061 1.00 24.12 H new ATOM 0 HD2 ARG A 20 5.257 -15.612 -0.975 1.00 52.12 H new ATOM 0 HD3 ARG A 20 6.998 -15.590 -0.783 1.00 52.12 H new ATOM 0 HE ARG A 20 6.108 -16.845 1.528 1.00 74.31 H new ATOM 0 HH11 ARG A 20 5.668 -17.327 -1.940 1.00 34.40 H new ATOM 0 HH12 ARG A 20 5.471 -19.076 -1.790 1.00 34.40 H new ATOM 0 HH21 ARG A 20 5.857 -19.094 1.713 1.00 3.42 H new ATOM 0 HH22 ARG A 20 5.578 -20.073 0.269 1.00 3.42 H new ATOM 295 N LEU A 21 7.604 -10.498 0.611 1.00 13.11 N ATOM 296 CA LEU A 21 8.443 -9.350 0.289 1.00 15.52 C ATOM 297 C LEU A 21 9.461 -9.704 -0.790 1.00 54.43 C ATOM 298 O LEU A 21 9.676 -8.938 -1.730 1.00 53.31 O ATOM 299 CB LEU A 21 9.164 -8.852 1.543 1.00 64.21 C ATOM 300 CG LEU A 21 8.271 -8.431 2.710 1.00 53.42 C ATOM 301 CD1 LEU A 21 9.108 -8.131 3.943 1.00 51.33 C ATOM 302 CD2 LEU A 21 7.430 -7.222 2.327 1.00 74.14 C ATOM 0 H LEU A 21 8.029 -11.162 1.258 1.00 13.11 H new ATOM 0 HA LEU A 21 7.799 -8.557 -0.092 1.00 15.52 H new ATOM 0 HB2 LEU A 21 9.833 -9.640 1.890 1.00 64.21 H new ATOM 0 HB3 LEU A 21 9.788 -8.003 1.265 1.00 64.21 H new ATOM 0 HG LEU A 21 7.600 -9.257 2.945 1.00 53.42 H new ATOM 0 HD11 LEU A 21 8.454 -7.833 4.763 1.00 51.33 H new ATOM 0 HD12 LEU A 21 9.666 -9.022 4.229 1.00 51.33 H new ATOM 0 HD13 LEU A 21 9.804 -7.322 3.722 1.00 51.33 H new ATOM 0 HD21 LEU A 21 6.800 -6.935 3.169 1.00 74.14 H new ATOM 0 HD22 LEU A 21 8.085 -6.391 2.065 1.00 74.14 H new ATOM 0 HD23 LEU A 21 6.801 -7.472 1.472 1.00 74.14 H new ATOM 314 N ARG A 22 10.082 -10.869 -0.651 1.00 25.43 N ATOM 315 CA ARG A 22 11.078 -11.325 -1.614 1.00 33.14 C ATOM 316 C ARG A 22 10.770 -12.745 -2.081 1.00 60.21 C ATOM 317 O ARG A 22 10.067 -13.506 -1.416 1.00 2.22 O ATOM 318 CB ARG A 22 12.477 -11.271 -0.999 1.00 70.31 C ATOM 319 CG ARG A 22 13.248 -10.010 -1.351 1.00 0.15 C ATOM 320 CD ARG A 22 13.057 -8.928 -0.299 1.00 32.32 C ATOM 321 NE ARG A 22 14.123 -8.941 0.700 1.00 35.31 N ATOM 322 CZ ARG A 22 14.061 -8.276 1.848 1.00 24.41 C ATOM 323 NH1 ARG A 22 12.991 -7.550 2.141 1.00 4.30 N ATOM 324 NH2 ARG A 22 15.070 -8.338 2.706 1.00 5.32 N ATOM 0 H ARG A 22 9.914 -11.516 0.120 1.00 25.43 H new ATOM 0 HA ARG A 22 11.044 -10.660 -2.477 1.00 33.14 H new ATOM 0 HB2 ARG A 22 12.391 -11.344 0.085 1.00 70.31 H new ATOM 0 HB3 ARG A 22 13.045 -12.139 -1.333 1.00 70.31 H new ATOM 0 HG2 ARG A 22 14.308 -10.245 -1.445 1.00 0.15 H new ATOM 0 HG3 ARG A 22 12.917 -9.639 -2.321 1.00 0.15 H new ATOM 0 HD2 ARG A 22 13.027 -7.952 -0.784 1.00 32.32 H new ATOM 0 HD3 ARG A 22 12.096 -9.068 0.195 1.00 32.32 H new ATOM 0 HE ARG A 22 14.960 -9.490 0.505 1.00 35.31 H new ATOM 0 HH11 ARG A 22 12.212 -7.501 1.484 1.00 4.30 H new ATOM 0 HH12 ARG A 22 12.946 -7.040 3.023 1.00 4.30 H new ATOM 0 HH21 ARG A 22 15.894 -8.897 2.484 1.00 5.32 H new ATOM 0 HH22 ARG A 22 15.022 -7.827 3.588 1.00 5.32 H new ATOM 338 N PRO A 23 11.308 -13.111 -3.255 1.00 34.32 N ATOM 339 CA PRO A 23 11.105 -14.441 -3.838 1.00 10.22 C ATOM 340 C PRO A 23 11.826 -15.533 -3.054 1.00 12.20 C ATOM 341 O PRO A 23 13.035 -15.463 -2.840 1.00 14.30 O ATOM 342 CB PRO A 23 11.701 -14.307 -5.240 1.00 63.55 C ATOM 343 CG PRO A 23 12.705 -13.212 -5.124 1.00 35.44 C ATOM 344 CD PRO A 23 12.156 -12.256 -4.102 1.00 22.32 C ATOM 0 HA PRO A 23 10.055 -14.734 -3.833 1.00 10.22 H new ATOM 0 HB2 PRO A 23 12.167 -15.238 -5.562 1.00 63.55 H new ATOM 0 HB3 PRO A 23 10.933 -14.064 -5.975 1.00 63.55 H new ATOM 0 HG2 PRO A 23 13.674 -13.602 -4.813 1.00 35.44 H new ATOM 0 HG3 PRO A 23 12.854 -12.716 -6.083 1.00 35.44 H new ATOM 0 HD2 PRO A 23 12.952 -11.783 -3.526 1.00 22.32 H new ATOM 0 HD3 PRO A 23 11.581 -11.456 -4.568 1.00 22.32 H new ATOM 352 N GLY A 24 11.074 -16.544 -2.629 1.00 11.02 N ATOM 353 CA GLY A 24 11.659 -17.637 -1.874 1.00 71.42 C ATOM 354 C GLY A 24 11.881 -17.282 -0.417 1.00 35.41 C ATOM 355 O GLY A 24 12.655 -17.939 0.278 1.00 12.12 O ATOM 0 H GLY A 24 10.071 -16.626 -2.794 1.00 11.02 H new ATOM 0 HA2 GLY A 24 11.007 -18.508 -1.937 1.00 71.42 H new ATOM 0 HA3 GLY A 24 12.611 -17.918 -2.325 1.00 71.42 H new ATOM 359 N GLY A 25 11.201 -16.238 0.047 1.00 53.01 N ATOM 360 CA GLY A 25 11.343 -15.814 1.427 1.00 32.34 C ATOM 361 C GLY A 25 10.147 -16.196 2.277 1.00 41.12 C ATOM 362 O GLY A 25 9.258 -16.918 1.824 1.00 2.32 O ATOM 0 H GLY A 25 10.554 -15.678 -0.509 1.00 53.01 H new ATOM 0 HA2 GLY A 25 12.243 -16.260 1.850 1.00 32.34 H new ATOM 0 HA3 GLY A 25 11.478 -14.733 1.460 1.00 32.34 H new ATOM 366 N LYS A 26 10.125 -15.713 3.515 1.00 31.40 N ATOM 367 CA LYS A 26 9.031 -16.009 4.432 1.00 53.31 C ATOM 368 C LYS A 26 8.437 -14.725 5.002 1.00 4.31 C ATOM 369 O LYS A 26 7.472 -14.760 5.765 1.00 14.50 O ATOM 370 CB LYS A 26 9.520 -16.906 5.570 1.00 30.45 C ATOM 371 CG LYS A 26 9.201 -18.377 5.366 1.00 33.02 C ATOM 372 CD LYS A 26 9.940 -19.252 6.365 1.00 72.24 C ATOM 373 CE LYS A 26 8.985 -20.168 7.117 1.00 63.23 C ATOM 374 NZ LYS A 26 8.347 -21.166 6.213 1.00 2.24 N ATOM 0 H LYS A 26 10.853 -15.115 3.906 1.00 31.40 H new ATOM 0 HA LYS A 26 8.254 -16.532 3.874 1.00 53.31 H new ATOM 0 HB2 LYS A 26 10.598 -16.788 5.676 1.00 30.45 H new ATOM 0 HB3 LYS A 26 9.069 -16.571 6.504 1.00 30.45 H new ATOM 0 HG2 LYS A 26 8.127 -18.535 5.467 1.00 33.02 H new ATOM 0 HG3 LYS A 26 9.472 -18.672 4.352 1.00 33.02 H new ATOM 0 HD2 LYS A 26 10.686 -19.852 5.843 1.00 72.24 H new ATOM 0 HD3 LYS A 26 10.477 -18.622 7.075 1.00 72.24 H new ATOM 0 HE2 LYS A 26 9.527 -20.688 7.907 1.00 63.23 H new ATOM 0 HE3 LYS A 26 8.213 -19.570 7.600 1.00 63.23 H new ATOM 0 HZ1 LYS A 26 7.717 -21.782 6.765 1.00 2.24 H new ATOM 0 HZ2 LYS A 26 7.795 -20.671 5.484 1.00 2.24 H new ATOM 0 HZ3 LYS A 26 9.083 -21.743 5.758 1.00 2.24 H new ATOM 388 N LYS A 27 9.020 -13.591 4.626 1.00 24.14 N ATOM 389 CA LYS A 27 8.548 -12.295 5.098 1.00 43.22 C ATOM 390 C LYS A 27 7.361 -11.813 4.269 1.00 25.42 C ATOM 391 O LYS A 27 7.312 -12.027 3.057 1.00 13.14 O ATOM 392 CB LYS A 27 9.678 -11.264 5.035 1.00 23.25 C ATOM 393 CG LYS A 27 10.918 -11.673 5.813 1.00 71.45 C ATOM 394 CD LYS A 27 12.176 -11.068 5.213 1.00 74.22 C ATOM 395 CE LYS A 27 13.022 -12.122 4.515 1.00 41.13 C ATOM 396 NZ LYS A 27 14.382 -11.612 4.185 1.00 41.01 N ATOM 0 H LYS A 27 9.820 -13.544 3.996 1.00 24.14 H new ATOM 0 HA LYS A 27 8.224 -12.409 6.133 1.00 43.22 H new ATOM 0 HB2 LYS A 27 9.951 -11.100 3.993 1.00 23.25 H new ATOM 0 HB3 LYS A 27 9.313 -10.313 5.423 1.00 23.25 H new ATOM 0 HG2 LYS A 27 10.819 -11.355 6.851 1.00 71.45 H new ATOM 0 HG3 LYS A 27 11.003 -12.760 5.819 1.00 71.45 H new ATOM 0 HD2 LYS A 27 11.903 -10.289 4.501 1.00 74.22 H new ATOM 0 HD3 LYS A 27 12.762 -10.591 5.998 1.00 74.22 H new ATOM 0 HE2 LYS A 27 13.109 -13.000 5.155 1.00 41.13 H new ATOM 0 HE3 LYS A 27 12.522 -12.442 3.601 1.00 41.13 H new ATOM 0 HZ1 LYS A 27 14.927 -12.360 3.711 1.00 41.01 H new ATOM 0 HZ2 LYS A 27 14.301 -10.789 3.554 1.00 41.01 H new ATOM 0 HZ3 LYS A 27 14.869 -11.330 5.060 1.00 41.01 H new ATOM 410 N GLN A 28 6.409 -11.162 4.929 1.00 33.31 N ATOM 411 CA GLN A 28 5.223 -10.652 4.252 1.00 10.41 C ATOM 412 C GLN A 28 5.182 -9.128 4.303 1.00 11.31 C ATOM 413 O GLN A 28 6.144 -8.484 4.725 1.00 34.15 O ATOM 414 CB GLN A 28 3.958 -11.229 4.888 1.00 73.23 C ATOM 415 CG GLN A 28 4.036 -12.724 5.148 1.00 60.41 C ATOM 416 CD GLN A 28 4.078 -13.058 6.627 1.00 52.41 C ATOM 417 OE1 GLN A 28 4.965 -12.609 7.352 1.00 44.42 O ATOM 418 NE2 GLN A 28 3.114 -13.850 7.082 1.00 11.21 N ATOM 0 H GLN A 28 6.436 -10.975 5.931 1.00 33.31 H new ATOM 0 HA GLN A 28 5.269 -10.963 3.208 1.00 10.41 H new ATOM 0 HB2 GLN A 28 3.768 -10.714 5.830 1.00 73.23 H new ATOM 0 HB3 GLN A 28 3.108 -11.026 4.236 1.00 73.23 H new ATOM 0 HG2 GLN A 28 3.175 -13.213 4.693 1.00 60.41 H new ATOM 0 HG3 GLN A 28 4.925 -13.127 4.663 1.00 60.41 H new ATOM 0 HE21 GLN A 28 2.398 -14.200 6.445 1.00 11.21 H new ATOM 0 HE22 GLN A 28 3.089 -14.109 8.068 1.00 11.21 H new ATOM 427 N TYR A 29 4.064 -8.556 3.868 1.00 22.44 N ATOM 428 CA TYR A 29 3.899 -7.108 3.862 1.00 12.44 C ATOM 429 C TYR A 29 3.058 -6.650 5.050 1.00 72.23 C ATOM 430 O TYR A 29 2.166 -7.366 5.507 1.00 45.01 O ATOM 431 CB TYR A 29 3.248 -6.653 2.555 1.00 33.30 C ATOM 432 CG TYR A 29 4.240 -6.365 1.452 1.00 55.32 C ATOM 433 CD1 TYR A 29 5.017 -5.212 1.473 1.00 33.41 C ATOM 434 CD2 TYR A 29 4.400 -7.243 0.387 1.00 3.31 C ATOM 435 CE1 TYR A 29 5.924 -4.944 0.467 1.00 60.53 C ATOM 436 CE2 TYR A 29 5.306 -6.983 -0.623 1.00 61.03 C ATOM 437 CZ TYR A 29 6.066 -5.833 -0.578 1.00 71.11 C ATOM 438 OH TYR A 29 6.969 -5.570 -1.583 1.00 34.10 O ATOM 0 H TYR A 29 3.259 -9.074 3.515 1.00 22.44 H new ATOM 0 HA TYR A 29 4.887 -6.655 3.944 1.00 12.44 H new ATOM 0 HB2 TYR A 29 2.555 -7.423 2.217 1.00 33.30 H new ATOM 0 HB3 TYR A 29 2.659 -5.756 2.746 1.00 33.30 H new ATOM 0 HD1 TYR A 29 4.909 -4.514 2.290 1.00 33.41 H new ATOM 0 HD2 TYR A 29 3.806 -8.144 0.348 1.00 3.31 H new ATOM 0 HE1 TYR A 29 6.519 -4.043 0.498 1.00 60.53 H new ATOM 0 HE2 TYR A 29 5.419 -7.676 -1.443 1.00 61.03 H new ATOM 0 HH TYR A 29 7.881 -5.659 -1.235 1.00 34.10 H new ATOM 448 N LYS A 30 3.346 -5.450 5.543 1.00 24.52 N ATOM 449 CA LYS A 30 2.616 -4.893 6.676 1.00 3.24 C ATOM 450 C LYS A 30 2.444 -3.385 6.524 1.00 74.34 C ATOM 451 O LYS A 30 3.073 -2.761 5.668 1.00 21.20 O ATOM 452 CB LYS A 30 3.349 -5.204 7.983 1.00 4.25 C ATOM 453 CG LYS A 30 2.490 -5.926 9.006 1.00 75.22 C ATOM 454 CD LYS A 30 3.324 -6.826 9.901 1.00 24.10 C ATOM 455 CE LYS A 30 3.430 -8.233 9.333 1.00 32.01 C ATOM 456 NZ LYS A 30 4.843 -8.699 9.265 1.00 13.31 N ATOM 0 H LYS A 30 4.080 -4.844 5.176 1.00 24.52 H new ATOM 0 HA LYS A 30 1.628 -5.353 6.702 1.00 3.24 H new ATOM 0 HB2 LYS A 30 4.225 -5.813 7.762 1.00 4.25 H new ATOM 0 HB3 LYS A 30 3.710 -4.272 8.418 1.00 4.25 H new ATOM 0 HG2 LYS A 30 1.959 -5.196 9.617 1.00 75.22 H new ATOM 0 HG3 LYS A 30 1.735 -6.521 8.493 1.00 75.22 H new ATOM 0 HD2 LYS A 30 4.322 -6.403 10.016 1.00 24.10 H new ATOM 0 HD3 LYS A 30 2.878 -6.866 10.895 1.00 24.10 H new ATOM 0 HE2 LYS A 30 2.851 -8.919 9.951 1.00 32.01 H new ATOM 0 HE3 LYS A 30 2.992 -8.256 8.335 1.00 32.01 H new ATOM 0 HZ1 LYS A 30 4.873 -9.662 8.873 1.00 13.31 H new ATOM 0 HZ2 LYS A 30 5.391 -8.059 8.655 1.00 13.31 H new ATOM 0 HZ3 LYS A 30 5.254 -8.702 10.220 1.00 13.31 H new ATOM 470 N LEU A 31 1.589 -2.805 7.358 1.00 35.30 N ATOM 471 CA LEU A 31 1.334 -1.370 7.316 1.00 53.11 C ATOM 472 C LEU A 31 2.637 -0.589 7.186 1.00 22.22 C ATOM 473 O LEU A 31 2.750 0.322 6.365 1.00 11.23 O ATOM 474 CB LEU A 31 0.585 -0.927 8.575 1.00 61.50 C ATOM 475 CG LEU A 31 -0.743 -0.206 8.347 1.00 13.14 C ATOM 476 CD1 LEU A 31 -1.864 -1.209 8.120 1.00 72.12 C ATOM 477 CD2 LEU A 31 -1.068 0.701 9.526 1.00 24.54 C ATOM 0 H LEU A 31 1.060 -3.306 8.072 1.00 35.30 H new ATOM 0 HA LEU A 31 0.718 -1.162 6.442 1.00 53.11 H new ATOM 0 HB2 LEU A 31 0.397 -1.807 9.190 1.00 61.50 H new ATOM 0 HB3 LEU A 31 1.238 -0.270 9.150 1.00 61.50 H new ATOM 0 HG LEU A 31 -0.649 0.412 7.454 1.00 13.14 H new ATOM 0 HD11 LEU A 31 -2.802 -0.677 7.960 1.00 72.12 H new ATOM 0 HD12 LEU A 31 -1.637 -1.816 7.244 1.00 72.12 H new ATOM 0 HD13 LEU A 31 -1.958 -1.854 8.994 1.00 72.12 H new ATOM 0 HD21 LEU A 31 -2.017 1.206 9.346 1.00 24.54 H new ATOM 0 HD22 LEU A 31 -1.142 0.104 10.435 1.00 24.54 H new ATOM 0 HD23 LEU A 31 -0.278 1.443 9.642 1.00 24.54 H new ATOM 489 N LYS A 32 3.622 -0.953 8.001 1.00 44.25 N ATOM 490 CA LYS A 32 4.921 -0.290 7.975 1.00 1.41 C ATOM 491 C LYS A 32 5.315 0.080 6.548 1.00 4.35 C ATOM 492 O LYS A 32 5.816 1.176 6.297 1.00 43.42 O ATOM 493 CB LYS A 32 5.990 -1.194 8.592 1.00 32.13 C ATOM 494 CG LYS A 32 7.197 -0.437 9.119 1.00 13.41 C ATOM 495 CD LYS A 32 8.445 -1.305 9.118 1.00 34.13 C ATOM 496 CE LYS A 32 9.521 -0.732 8.210 1.00 60.24 C ATOM 497 NZ LYS A 32 10.889 -1.090 8.677 1.00 21.41 N ATOM 0 H LYS A 32 3.545 -1.703 8.688 1.00 44.25 H new ATOM 0 HA LYS A 32 4.845 0.626 8.561 1.00 1.41 H new ATOM 0 HB2 LYS A 32 5.545 -1.764 9.407 1.00 32.13 H new ATOM 0 HB3 LYS A 32 6.321 -1.914 7.843 1.00 32.13 H new ATOM 0 HG2 LYS A 32 7.368 0.448 8.506 1.00 13.41 H new ATOM 0 HG3 LYS A 32 6.995 -0.089 10.132 1.00 13.41 H new ATOM 0 HD2 LYS A 32 8.832 -1.390 10.134 1.00 34.13 H new ATOM 0 HD3 LYS A 32 8.189 -2.312 8.790 1.00 34.13 H new ATOM 0 HE2 LYS A 32 9.375 -1.102 7.195 1.00 60.24 H new ATOM 0 HE3 LYS A 32 9.423 0.353 8.170 1.00 60.24 H new ATOM 0 HZ1 LYS A 32 11.594 -0.681 8.032 1.00 21.41 H new ATOM 0 HZ2 LYS A 32 11.038 -0.715 9.635 1.00 21.41 H new ATOM 0 HZ3 LYS A 32 10.991 -2.125 8.691 1.00 21.41 H new ATOM 511 N HIS A 33 5.085 -0.840 5.618 1.00 70.23 N ATOM 512 CA HIS A 33 5.415 -0.610 4.216 1.00 51.35 C ATOM 513 C HIS A 33 4.489 0.439 3.606 1.00 13.41 C ATOM 514 O HIS A 33 5.012 1.351 2.966 1.00 12.12 O ATOM 515 CB HIS A 33 5.314 -1.915 3.425 1.00 4.00 C ATOM 516 CG HIS A 33 6.199 -3.003 3.952 1.00 52.13 C ATOM 517 ND1 HIS A 33 5.713 -4.124 4.592 1.00 23.23 N ATOM 518 CD2 HIS A 33 7.545 -3.139 3.930 1.00 11.21 C ATOM 519 CE1 HIS A 33 6.723 -4.901 4.941 1.00 12.13 C ATOM 520 NE2 HIS A 33 7.845 -4.325 4.551 1.00 65.22 N ATOM 0 H HIS A 33 4.671 -1.752 5.809 1.00 70.23 H new ATOM 0 HA HIS A 33 6.439 -0.241 4.165 1.00 51.35 H new ATOM 0 HB2 HIS A 33 4.280 -2.260 3.439 1.00 4.00 H new ATOM 0 HB3 HIS A 33 5.571 -1.720 2.384 1.00 4.00 H new ATOM 0 HD2 HIS A 33 8.252 -2.443 3.503 1.00 11.21 H new ATOM 0 HE1 HIS A 33 6.644 -5.846 5.457 1.00 12.13 H new ATOM 0 HE2 HIS A 33 8.783 -4.701 4.689 1.00 65.22 H new ATOM 528 N ILE A 34 3.175 0.338 3.782 1.00 45.42 N ATOM 529 CA ILE A 34 2.253 1.317 3.220 1.00 12.10 C ATOM 530 C ILE A 34 2.677 2.738 3.573 1.00 51.13 C ATOM 531 O ILE A 34 2.526 3.660 2.771 1.00 41.20 O ATOM 532 CB ILE A 34 0.814 1.084 3.717 1.00 12.30 C ATOM 533 CG1 ILE A 34 0.310 -0.286 3.263 1.00 72.33 C ATOM 534 CG2 ILE A 34 -0.106 2.187 3.213 1.00 63.10 C ATOM 535 CD1 ILE A 34 -0.976 -0.713 3.938 1.00 5.34 C ATOM 0 H ILE A 34 2.726 -0.411 4.309 1.00 45.42 H new ATOM 0 HA ILE A 34 2.280 1.191 2.138 1.00 12.10 H new ATOM 0 HB ILE A 34 0.814 1.107 4.807 1.00 12.30 H new ATOM 0 HG12 ILE A 34 0.156 -0.268 2.184 1.00 72.33 H new ATOM 0 HG13 ILE A 34 1.080 -1.031 3.462 1.00 72.33 H new ATOM 0 HG21 ILE A 34 -1.119 2.008 3.573 1.00 63.10 H new ATOM 0 HG22 ILE A 34 0.245 3.151 3.582 1.00 63.10 H new ATOM 0 HG23 ILE A 34 -0.104 2.193 2.123 1.00 63.10 H new ATOM 0 HD11 ILE A 34 -1.273 -1.694 3.567 1.00 5.34 H new ATOM 0 HD12 ILE A 34 -0.822 -0.764 5.016 1.00 5.34 H new ATOM 0 HD13 ILE A 34 -1.760 0.011 3.718 1.00 5.34 H new ATOM 547 N VAL A 35 3.211 2.909 4.779 1.00 74.13 N ATOM 548 CA VAL A 35 3.660 4.218 5.237 1.00 31.34 C ATOM 549 C VAL A 35 5.021 4.569 4.647 1.00 33.22 C ATOM 550 O VAL A 35 5.222 5.672 4.138 1.00 33.53 O ATOM 551 CB VAL A 35 3.748 4.274 6.775 1.00 64.23 C ATOM 552 CG1 VAL A 35 4.275 5.627 7.230 1.00 70.53 C ATOM 553 CG2 VAL A 35 2.391 3.982 7.397 1.00 41.42 C ATOM 0 H VAL A 35 3.343 2.157 5.456 1.00 74.13 H new ATOM 0 HA VAL A 35 2.922 4.944 4.896 1.00 31.34 H new ATOM 0 HB VAL A 35 4.447 3.508 7.111 1.00 64.23 H new ATOM 0 HG11 VAL A 35 4.330 5.649 8.318 1.00 70.53 H new ATOM 0 HG12 VAL A 35 5.269 5.789 6.813 1.00 70.53 H new ATOM 0 HG13 VAL A 35 3.604 6.414 6.885 1.00 70.53 H new ATOM 0 HG21 VAL A 35 2.472 4.026 8.483 1.00 41.42 H new ATOM 0 HG22 VAL A 35 1.668 4.723 7.057 1.00 41.42 H new ATOM 0 HG23 VAL A 35 2.060 2.988 7.097 1.00 41.42 H new ATOM 563 N TRP A 36 5.952 3.625 4.721 1.00 61.15 N ATOM 564 CA TRP A 36 7.296 3.835 4.193 1.00 52.34 C ATOM 565 C TRP A 36 7.247 4.227 2.719 1.00 34.45 C ATOM 566 O TRP A 36 8.169 4.859 2.206 1.00 73.44 O ATOM 567 CB TRP A 36 8.139 2.572 4.370 1.00 31.55 C ATOM 568 CG TRP A 36 9.476 2.651 3.698 1.00 74.41 C ATOM 569 CD1 TRP A 36 10.675 2.933 4.288 1.00 21.41 C ATOM 570 CD2 TRP A 36 9.749 2.445 2.308 1.00 44.43 C ATOM 571 NE1 TRP A 36 11.677 2.917 3.348 1.00 22.42 N ATOM 572 CE2 TRP A 36 11.136 2.619 2.126 1.00 73.22 C ATOM 573 CE3 TRP A 36 8.960 2.130 1.199 1.00 13.42 C ATOM 574 CZ2 TRP A 36 11.745 2.489 0.881 1.00 43.13 C ATOM 575 CZ3 TRP A 36 9.565 2.003 -0.036 1.00 61.43 C ATOM 576 CH2 TRP A 36 10.947 2.180 -0.188 1.00 14.04 C ATOM 0 H TRP A 36 5.802 2.708 5.141 1.00 61.15 H new ATOM 0 HA TRP A 36 7.755 4.651 4.751 1.00 52.34 H new ATOM 0 HB2 TRP A 36 8.286 2.388 5.434 1.00 31.55 H new ATOM 0 HB3 TRP A 36 7.590 1.719 3.972 1.00 31.55 H new ATOM 0 HD1 TRP A 36 10.815 3.138 5.339 1.00 21.41 H new ATOM 0 HE1 TRP A 36 12.664 3.098 3.531 1.00 22.42 H new ATOM 0 HE3 TRP A 36 7.895 1.988 1.306 1.00 13.42 H new ATOM 0 HZ2 TRP A 36 12.810 2.627 0.762 1.00 43.13 H new ATOM 0 HZ3 TRP A 36 8.963 1.763 -0.900 1.00 61.43 H new ATOM 0 HH2 TRP A 36 11.391 2.071 -1.167 1.00 14.04 H new ATOM 587 N ALA A 37 6.166 3.846 2.046 1.00 0.10 N ATOM 588 CA ALA A 37 5.998 4.159 0.633 1.00 72.34 C ATOM 589 C ALA A 37 5.344 5.524 0.447 1.00 1.22 C ATOM 590 O ALA A 37 5.850 6.370 -0.290 1.00 5.23 O ATOM 591 CB ALA A 37 5.172 3.080 -0.052 1.00 25.42 C ATOM 0 H ALA A 37 5.394 3.320 2.457 1.00 0.10 H new ATOM 0 HA ALA A 37 6.986 4.192 0.174 1.00 72.34 H new ATOM 0 HB1 ALA A 37 5.054 3.327 -1.107 1.00 25.42 H new ATOM 0 HB2 ALA A 37 5.679 2.119 0.042 1.00 25.42 H new ATOM 0 HB3 ALA A 37 4.190 3.020 0.418 1.00 25.42 H new ATOM 597 N SER A 38 4.217 5.732 1.120 1.00 21.22 N ATOM 598 CA SER A 38 3.492 6.994 1.025 1.00 21.10 C ATOM 599 C SER A 38 4.387 8.165 1.417 1.00 53.12 C ATOM 600 O SER A 38 4.228 9.278 0.914 1.00 60.42 O ATOM 601 CB SER A 38 2.252 6.962 1.921 1.00 1.22 C ATOM 602 OG SER A 38 1.099 7.381 1.212 1.00 42.55 O ATOM 0 H SER A 38 3.786 5.043 1.737 1.00 21.22 H new ATOM 0 HA SER A 38 3.180 7.129 -0.011 1.00 21.10 H new ATOM 0 HB2 SER A 38 2.101 5.952 2.302 1.00 1.22 H new ATOM 0 HB3 SER A 38 2.407 7.609 2.784 1.00 1.22 H new ATOM 0 HG SER A 38 0.320 7.350 1.806 1.00 42.55 H new ATOM 608 N ARG A 39 5.328 7.906 2.318 1.00 11.41 N ATOM 609 CA ARG A 39 6.248 8.939 2.779 1.00 21.22 C ATOM 610 C ARG A 39 7.425 9.087 1.820 1.00 50.24 C ATOM 611 O ARG A 39 8.192 10.046 1.906 1.00 72.10 O ATOM 612 CB ARG A 39 6.760 8.607 4.183 1.00 60.24 C ATOM 613 CG ARG A 39 5.958 9.262 5.294 1.00 32.13 C ATOM 614 CD ARG A 39 6.692 9.195 6.624 1.00 14.13 C ATOM 615 NE ARG A 39 7.265 10.485 6.998 1.00 52.51 N ATOM 616 CZ ARG A 39 8.084 10.655 8.031 1.00 63.14 C ATOM 617 NH1 ARG A 39 8.424 9.620 8.788 1.00 41.42 N ATOM 618 NH2 ARG A 39 8.565 11.859 8.306 1.00 10.44 N ATOM 0 H ARG A 39 5.474 6.990 2.743 1.00 11.41 H new ATOM 0 HA ARG A 39 5.706 9.884 2.811 1.00 21.22 H new ATOM 0 HB2 ARG A 39 6.741 7.526 4.321 1.00 60.24 H new ATOM 0 HB3 ARG A 39 7.801 8.920 4.264 1.00 60.24 H new ATOM 0 HG2 ARG A 39 5.762 10.303 5.037 1.00 32.13 H new ATOM 0 HG3 ARG A 39 4.991 8.768 5.386 1.00 32.13 H new ATOM 0 HD2 ARG A 39 6.003 8.865 7.402 1.00 14.13 H new ATOM 0 HD3 ARG A 39 7.485 8.450 6.563 1.00 14.13 H new ATOM 0 HE ARG A 39 7.023 11.301 6.435 1.00 52.51 H new ATOM 0 HH11 ARG A 39 8.057 8.692 8.578 1.00 41.42 H new ATOM 0 HH12 ARG A 39 9.053 9.752 9.580 1.00 41.42 H new ATOM 0 HH21 ARG A 39 8.307 12.656 7.725 1.00 10.44 H new ATOM 0 HH22 ARG A 39 9.193 11.988 9.099 1.00 10.44 H new ATOM 632 N GLU A 40 7.560 8.131 0.906 1.00 43.45 N ATOM 633 CA GLU A 40 8.644 8.155 -0.069 1.00 60.14 C ATOM 634 C GLU A 40 8.202 8.844 -1.359 1.00 35.44 C ATOM 635 O GLU A 40 8.937 9.651 -1.928 1.00 34.03 O ATOM 636 CB GLU A 40 9.117 6.733 -0.375 1.00 22.52 C ATOM 637 CG GLU A 40 10.627 6.567 -0.314 1.00 53.10 C ATOM 638 CD GLU A 40 11.153 6.534 1.107 1.00 1.41 C ATOM 639 OE1 GLU A 40 10.365 6.228 2.026 1.00 74.01 O ATOM 640 OE2 GLU A 40 12.355 6.817 1.301 1.00 35.35 O ATOM 0 H GLU A 40 6.933 7.331 0.820 1.00 43.45 H new ATOM 0 HA GLU A 40 9.471 8.721 0.360 1.00 60.14 H new ATOM 0 HB2 GLU A 40 8.655 6.045 0.334 1.00 22.52 H new ATOM 0 HB3 GLU A 40 8.769 6.449 -1.368 1.00 22.52 H new ATOM 0 HG2 GLU A 40 10.908 5.645 -0.823 1.00 53.10 H new ATOM 0 HG3 GLU A 40 11.101 7.387 -0.854 1.00 53.10 H new ATOM 647 N LEU A 41 6.997 8.517 -1.812 1.00 60.22 N ATOM 648 CA LEU A 41 6.455 9.103 -3.034 1.00 22.03 C ATOM 649 C LEU A 41 6.565 10.624 -3.003 1.00 14.21 C ATOM 650 O LEU A 41 6.994 11.244 -3.976 1.00 31.35 O ATOM 651 CB LEU A 41 4.994 8.688 -3.217 1.00 12.33 C ATOM 652 CG LEU A 41 4.745 7.202 -3.476 1.00 1.30 C ATOM 653 CD1 LEU A 41 3.260 6.935 -3.668 1.00 31.34 C ATOM 654 CD2 LEU A 41 5.534 6.734 -4.690 1.00 73.44 C ATOM 0 H LEU A 41 6.377 7.850 -1.353 1.00 60.22 H new ATOM 0 HA LEU A 41 7.039 8.733 -3.876 1.00 22.03 H new ATOM 0 HB2 LEU A 41 4.440 8.978 -2.324 1.00 12.33 H new ATOM 0 HB3 LEU A 41 4.578 9.256 -4.049 1.00 12.33 H new ATOM 0 HG LEU A 41 5.085 6.639 -2.607 1.00 1.30 H new ATOM 0 HD11 LEU A 41 3.102 5.872 -3.851 1.00 31.34 H new ATOM 0 HD12 LEU A 41 2.718 7.233 -2.771 1.00 31.34 H new ATOM 0 HD13 LEU A 41 2.894 7.508 -4.520 1.00 31.34 H new ATOM 0 HD21 LEU A 41 5.345 5.674 -4.860 1.00 73.44 H new ATOM 0 HD22 LEU A 41 5.224 7.303 -5.567 1.00 73.44 H new ATOM 0 HD23 LEU A 41 6.598 6.889 -4.514 1.00 73.44 H new ATOM 666 N GLU A 42 6.175 11.218 -1.880 1.00 34.01 N ATOM 667 CA GLU A 42 6.231 12.666 -1.723 1.00 55.51 C ATOM 668 C GLU A 42 7.610 13.201 -2.094 1.00 64.23 C ATOM 669 O GLU A 42 7.744 14.329 -2.569 1.00 42.33 O ATOM 670 CB GLU A 42 5.889 13.060 -0.284 1.00 40.45 C ATOM 671 CG GLU A 42 4.664 13.950 -0.172 1.00 14.34 C ATOM 672 CD GLU A 42 3.999 13.859 1.189 1.00 70.03 C ATOM 673 OE1 GLU A 42 4.724 13.686 2.191 1.00 34.54 O ATOM 674 OE2 GLU A 42 2.756 13.960 1.250 1.00 10.13 O ATOM 0 H GLU A 42 5.817 10.719 -1.066 1.00 34.01 H new ATOM 0 HA GLU A 42 5.496 13.107 -2.397 1.00 55.51 H new ATOM 0 HB2 GLU A 42 5.726 12.156 0.302 1.00 40.45 H new ATOM 0 HB3 GLU A 42 6.743 13.575 0.156 1.00 40.45 H new ATOM 0 HG2 GLU A 42 4.952 14.984 -0.363 1.00 14.34 H new ATOM 0 HG3 GLU A 42 3.945 13.671 -0.943 1.00 14.34 H new ATOM 681 N ARG A 43 8.634 12.382 -1.874 1.00 4.43 N ATOM 682 CA ARG A 43 10.005 12.773 -2.184 1.00 31.11 C ATOM 683 C ARG A 43 10.260 12.716 -3.686 1.00 71.54 C ATOM 684 O ARG A 43 11.020 13.518 -4.230 1.00 2.55 O ATOM 685 CB ARG A 43 10.994 11.864 -1.452 1.00 64.11 C ATOM 686 CG ARG A 43 12.277 12.566 -1.040 1.00 11.11 C ATOM 687 CD ARG A 43 13.287 11.588 -0.459 1.00 54.22 C ATOM 688 NE ARG A 43 14.350 12.270 0.274 1.00 20.41 N ATOM 689 CZ ARG A 43 15.320 11.634 0.922 1.00 73.20 C ATOM 690 NH1 ARG A 43 15.360 10.309 0.928 1.00 34.34 N ATOM 691 NH2 ARG A 43 16.252 12.324 1.566 1.00 41.11 N ATOM 0 H ARG A 43 8.541 11.445 -1.483 1.00 4.43 H new ATOM 0 HA ARG A 43 10.149 13.800 -1.848 1.00 31.11 H new ATOM 0 HB2 ARG A 43 10.511 11.457 -0.563 1.00 64.11 H new ATOM 0 HB3 ARG A 43 11.242 11.019 -2.095 1.00 64.11 H new ATOM 0 HG2 ARG A 43 12.711 13.069 -1.904 1.00 11.11 H new ATOM 0 HG3 ARG A 43 12.051 13.337 -0.303 1.00 11.11 H new ATOM 0 HD2 ARG A 43 12.776 10.892 0.207 1.00 54.22 H new ATOM 0 HD3 ARG A 43 13.723 10.997 -1.264 1.00 54.22 H new ATOM 0 HE ARG A 43 14.348 13.290 0.289 1.00 20.41 H new ATOM 0 HH11 ARG A 43 14.645 9.775 0.434 1.00 34.34 H new ATOM 0 HH12 ARG A 43 16.106 9.824 1.426 1.00 34.34 H new ATOM 0 HH21 ARG A 43 16.224 13.344 1.564 1.00 41.11 H new ATOM 0 HH22 ARG A 43 16.996 11.835 2.063 1.00 41.11 H new ATOM 705 N PHE A 44 9.621 11.761 -4.354 1.00 21.00 N ATOM 706 CA PHE A 44 9.780 11.597 -5.794 1.00 42.52 C ATOM 707 C PHE A 44 8.751 12.430 -6.553 1.00 71.51 C ATOM 708 O PHE A 44 8.339 12.072 -7.656 1.00 73.05 O ATOM 709 CB PHE A 44 9.644 10.122 -6.180 1.00 43.14 C ATOM 710 CG PHE A 44 10.959 9.401 -6.263 1.00 34.24 C ATOM 711 CD1 PHE A 44 11.948 9.833 -7.132 1.00 73.44 C ATOM 712 CD2 PHE A 44 11.206 8.291 -5.471 1.00 31.12 C ATOM 713 CE1 PHE A 44 13.159 9.171 -7.211 1.00 73.30 C ATOM 714 CE2 PHE A 44 12.415 7.625 -5.545 1.00 12.53 C ATOM 715 CZ PHE A 44 13.392 8.066 -6.416 1.00 60.41 C ATOM 0 H PHE A 44 8.988 11.089 -3.921 1.00 21.00 H new ATOM 0 HA PHE A 44 10.776 11.946 -6.066 1.00 42.52 H new ATOM 0 HB2 PHE A 44 9.009 9.620 -5.450 1.00 43.14 H new ATOM 0 HB3 PHE A 44 9.139 10.052 -7.143 1.00 43.14 H new ATOM 0 HD1 PHE A 44 11.771 10.697 -7.755 1.00 73.44 H new ATOM 0 HD2 PHE A 44 10.445 7.942 -4.788 1.00 31.12 H new ATOM 0 HE1 PHE A 44 13.921 9.517 -7.893 1.00 73.30 H new ATOM 0 HE2 PHE A 44 12.595 6.761 -4.923 1.00 12.53 H new ATOM 0 HZ PHE A 44 14.337 7.547 -6.475 1.00 60.41 H new ATOM 725 N ALA A 45 8.340 13.542 -5.953 1.00 24.51 N ATOM 726 CA ALA A 45 7.360 14.426 -6.572 1.00 40.12 C ATOM 727 C ALA A 45 6.077 13.675 -6.907 1.00 74.20 C ATOM 728 O ALA A 45 5.294 14.109 -7.753 1.00 51.20 O ATOM 729 CB ALA A 45 7.943 15.066 -7.823 1.00 74.35 C ATOM 0 H ALA A 45 8.670 13.852 -5.039 1.00 24.51 H new ATOM 0 HA ALA A 45 7.113 15.211 -5.857 1.00 40.12 H new ATOM 0 HB1 ALA A 45 7.200 15.724 -8.275 1.00 74.35 H new ATOM 0 HB2 ALA A 45 8.827 15.646 -7.557 1.00 74.35 H new ATOM 0 HB3 ALA A 45 8.220 14.288 -8.534 1.00 74.35 H new ATOM 735 N VAL A 46 5.866 12.545 -6.239 1.00 63.14 N ATOM 736 CA VAL A 46 4.677 11.733 -6.467 1.00 31.41 C ATOM 737 C VAL A 46 3.702 11.847 -5.300 1.00 42.44 C ATOM 738 O VAL A 46 4.012 11.450 -4.179 1.00 20.44 O ATOM 739 CB VAL A 46 5.041 10.251 -6.674 1.00 72.43 C ATOM 740 CG1 VAL A 46 3.785 9.393 -6.714 1.00 2.11 C ATOM 741 CG2 VAL A 46 5.856 10.076 -7.946 1.00 22.44 C ATOM 0 H VAL A 46 6.503 12.171 -5.536 1.00 63.14 H new ATOM 0 HA VAL A 46 4.203 12.113 -7.372 1.00 31.41 H new ATOM 0 HB VAL A 46 5.650 9.923 -5.831 1.00 72.43 H new ATOM 0 HG11 VAL A 46 4.062 8.349 -6.861 1.00 2.11 H new ATOM 0 HG12 VAL A 46 3.244 9.496 -5.773 1.00 2.11 H new ATOM 0 HG13 VAL A 46 3.148 9.719 -7.536 1.00 2.11 H new ATOM 0 HG21 VAL A 46 6.105 9.023 -8.077 1.00 22.44 H new ATOM 0 HG22 VAL A 46 5.274 10.420 -8.801 1.00 22.44 H new ATOM 0 HG23 VAL A 46 6.774 10.659 -7.873 1.00 22.44 H new ATOM 751 N ASN A 47 2.521 12.393 -5.574 1.00 43.02 N ATOM 752 CA ASN A 47 1.500 12.561 -4.547 1.00 23.31 C ATOM 753 C ASN A 47 1.116 11.216 -3.937 1.00 64.23 C ATOM 754 O ASN A 47 0.909 10.224 -4.638 1.00 11.52 O ATOM 755 CB ASN A 47 0.262 13.238 -5.136 1.00 35.03 C ATOM 756 CG ASN A 47 0.571 14.603 -5.718 1.00 43.13 C ATOM 757 OD1 ASN A 47 1.717 15.052 -5.702 1.00 3.43 O ATOM 758 ND2 ASN A 47 -0.453 15.270 -6.238 1.00 50.22 N ATOM 0 H ASN A 47 2.248 12.726 -6.499 1.00 43.02 H new ATOM 0 HA ASN A 47 1.912 13.193 -3.760 1.00 23.31 H new ATOM 0 HB2 ASN A 47 -0.161 12.602 -5.914 1.00 35.03 H new ATOM 0 HB3 ASN A 47 -0.497 13.340 -4.360 1.00 35.03 H new ATOM 0 HD21 ASN A 47 -0.306 16.193 -6.646 1.00 50.22 H new ATOM 0 HD22 ASN A 47 -1.386 14.859 -6.230 1.00 50.22 H new ATOM 765 N PRO A 48 1.019 11.178 -2.600 1.00 10.14 N ATOM 766 CA PRO A 48 0.659 9.962 -1.866 1.00 22.33 C ATOM 767 C PRO A 48 -0.798 9.565 -2.081 1.00 64.33 C ATOM 768 O PRO A 48 -1.246 8.526 -1.599 1.00 25.45 O ATOM 769 CB PRO A 48 0.898 10.345 -0.403 1.00 42.23 C ATOM 770 CG PRO A 48 0.751 11.828 -0.372 1.00 64.00 C ATOM 771 CD PRO A 48 1.252 12.321 -1.701 1.00 45.41 C ATOM 0 HA PRO A 48 1.240 9.101 -2.195 1.00 22.33 H new ATOM 0 HB2 PRO A 48 0.177 9.862 0.256 1.00 42.23 H new ATOM 0 HB3 PRO A 48 1.890 10.038 -0.070 1.00 42.23 H new ATOM 0 HG2 PRO A 48 -0.289 12.114 -0.217 1.00 64.00 H new ATOM 0 HG3 PRO A 48 1.326 12.260 0.447 1.00 64.00 H new ATOM 0 HD2 PRO A 48 0.711 13.208 -2.030 1.00 45.41 H new ATOM 0 HD3 PRO A 48 2.308 12.589 -1.658 1.00 45.41 H new ATOM 779 N GLY A 49 -1.533 10.400 -2.809 1.00 12.01 N ATOM 780 CA GLY A 49 -2.931 10.118 -3.075 1.00 71.22 C ATOM 781 C GLY A 49 -3.118 9.141 -4.219 1.00 55.52 C ATOM 782 O GLY A 49 -4.234 8.692 -4.486 1.00 20.22 O ATOM 0 H GLY A 49 -1.185 11.267 -3.219 1.00 12.01 H new ATOM 0 HA2 GLY A 49 -3.394 9.712 -2.176 1.00 71.22 H new ATOM 0 HA3 GLY A 49 -3.448 11.049 -3.308 1.00 71.22 H new ATOM 786 N LEU A 50 -2.025 8.813 -4.899 1.00 50.14 N ATOM 787 CA LEU A 50 -2.073 7.885 -6.023 1.00 61.33 C ATOM 788 C LEU A 50 -2.119 6.441 -5.535 1.00 31.24 C ATOM 789 O LEU A 50 -1.974 5.503 -6.321 1.00 31.43 O ATOM 790 CB LEU A 50 -0.860 8.089 -6.931 1.00 52.25 C ATOM 791 CG LEU A 50 -0.710 9.480 -7.548 1.00 42.52 C ATOM 792 CD1 LEU A 50 0.685 9.660 -8.127 1.00 71.22 C ATOM 793 CD2 LEU A 50 -1.767 9.706 -8.620 1.00 23.42 C ATOM 0 H LEU A 50 -1.095 9.176 -4.691 1.00 50.14 H new ATOM 0 HA LEU A 50 -2.982 8.087 -6.590 1.00 61.33 H new ATOM 0 HB2 LEU A 50 0.040 7.869 -6.356 1.00 52.25 H new ATOM 0 HB3 LEU A 50 -0.909 7.359 -7.739 1.00 52.25 H new ATOM 0 HG LEU A 50 -0.854 10.222 -6.762 1.00 42.52 H new ATOM 0 HD11 LEU A 50 0.773 10.656 -8.562 1.00 71.22 H new ATOM 0 HD12 LEU A 50 1.425 9.543 -7.336 1.00 71.22 H new ATOM 0 HD13 LEU A 50 0.858 8.911 -8.899 1.00 71.22 H new ATOM 0 HD21 LEU A 50 -1.645 10.701 -9.048 1.00 23.42 H new ATOM 0 HD22 LEU A 50 -1.655 8.958 -9.405 1.00 23.42 H new ATOM 0 HD23 LEU A 50 -2.759 9.621 -8.176 1.00 23.42 H new ATOM 805 N LEU A 51 -2.324 6.268 -4.233 1.00 40.42 N ATOM 806 CA LEU A 51 -2.392 4.937 -3.639 1.00 41.02 C ATOM 807 C LEU A 51 -3.840 4.503 -3.441 1.00 72.12 C ATOM 808 O LEU A 51 -4.117 3.330 -3.191 1.00 74.42 O ATOM 809 CB LEU A 51 -1.654 4.917 -2.299 1.00 72.13 C ATOM 810 CG LEU A 51 -0.186 5.343 -2.336 1.00 63.51 C ATOM 811 CD1 LEU A 51 0.395 5.376 -0.930 1.00 52.15 C ATOM 812 CD2 LEU A 51 0.620 4.406 -3.225 1.00 54.00 C ATOM 0 H LEU A 51 -2.446 7.033 -3.569 1.00 40.42 H new ATOM 0 HA LEU A 51 -1.912 4.236 -4.322 1.00 41.02 H new ATOM 0 HB2 LEU A 51 -2.184 5.570 -1.605 1.00 72.13 H new ATOM 0 HB3 LEU A 51 -1.709 3.907 -1.892 1.00 72.13 H new ATOM 0 HG LEU A 51 -0.130 6.347 -2.755 1.00 63.51 H new ATOM 0 HD11 LEU A 51 1.440 5.681 -0.975 1.00 52.15 H new ATOM 0 HD12 LEU A 51 -0.164 6.087 -0.322 1.00 52.15 H new ATOM 0 HD13 LEU A 51 0.326 4.384 -0.484 1.00 52.15 H new ATOM 0 HD21 LEU A 51 1.662 4.725 -3.239 1.00 54.00 H new ATOM 0 HD22 LEU A 51 0.557 3.390 -2.835 1.00 54.00 H new ATOM 0 HD23 LEU A 51 0.219 4.431 -4.238 1.00 54.00 H new ATOM 824 N GLU A 52 -4.760 5.455 -3.557 1.00 13.33 N ATOM 825 CA GLU A 52 -6.180 5.169 -3.392 1.00 54.53 C ATOM 826 C GLU A 52 -6.870 5.043 -4.747 1.00 75.13 C ATOM 827 O GLU A 52 -7.939 5.614 -4.968 1.00 71.54 O ATOM 828 CB GLU A 52 -6.852 6.269 -2.566 1.00 51.03 C ATOM 829 CG GLU A 52 -6.683 7.660 -3.152 1.00 61.22 C ATOM 830 CD GLU A 52 -7.783 8.612 -2.724 1.00 20.35 C ATOM 831 OE1 GLU A 52 -8.088 8.658 -1.513 1.00 31.41 O ATOM 832 OE2 GLU A 52 -8.340 9.308 -3.597 1.00 52.41 O ATOM 0 H GLU A 52 -4.547 6.431 -3.765 1.00 13.33 H new ATOM 0 HA GLU A 52 -6.275 4.219 -2.865 1.00 54.53 H new ATOM 0 HB2 GLU A 52 -7.916 6.048 -2.479 1.00 51.03 H new ATOM 0 HB3 GLU A 52 -6.440 6.257 -1.557 1.00 51.03 H new ATOM 0 HG2 GLU A 52 -5.718 8.064 -2.845 1.00 61.22 H new ATOM 0 HG3 GLU A 52 -6.669 7.592 -4.240 1.00 61.22 H new ATOM 839 N THR A 53 -6.252 4.291 -5.652 1.00 41.22 N ATOM 840 CA THR A 53 -6.805 4.090 -6.985 1.00 51.11 C ATOM 841 C THR A 53 -5.965 3.101 -7.785 1.00 41.24 C ATOM 842 O THR A 53 -4.794 3.354 -8.070 1.00 2.11 O ATOM 843 CB THR A 53 -6.894 5.417 -7.762 1.00 65.35 C ATOM 844 OG1 THR A 53 -6.762 5.172 -9.168 1.00 13.05 O ATOM 845 CG2 THR A 53 -5.811 6.384 -7.308 1.00 34.31 C ATOM 0 H THR A 53 -5.368 3.811 -5.486 1.00 41.22 H new ATOM 0 HA THR A 53 -7.809 3.687 -6.853 1.00 51.11 H new ATOM 0 HB THR A 53 -7.867 5.865 -7.561 1.00 65.35 H new ATOM 0 HG1 THR A 53 -6.821 6.020 -9.655 1.00 13.05 H new ATOM 0 HG21 THR A 53 -5.894 7.314 -7.871 1.00 34.31 H new ATOM 0 HG22 THR A 53 -5.931 6.592 -6.245 1.00 34.31 H new ATOM 0 HG23 THR A 53 -4.831 5.941 -7.483 1.00 34.31 H new ATOM 853 N SER A 54 -6.569 1.973 -8.146 1.00 14.41 N ATOM 854 CA SER A 54 -5.875 0.945 -8.912 1.00 21.20 C ATOM 855 C SER A 54 -5.246 1.535 -10.170 1.00 3.34 C ATOM 856 O SER A 54 -4.215 1.059 -10.642 1.00 22.43 O ATOM 857 CB SER A 54 -6.842 -0.179 -9.291 1.00 14.21 C ATOM 858 OG SER A 54 -8.039 -0.097 -8.537 1.00 12.41 O ATOM 0 H SER A 54 -7.538 1.748 -7.920 1.00 14.41 H new ATOM 0 HA SER A 54 -5.081 0.537 -8.287 1.00 21.20 H new ATOM 0 HB2 SER A 54 -7.074 -0.121 -10.355 1.00 14.21 H new ATOM 0 HB3 SER A 54 -6.367 -1.145 -9.121 1.00 14.21 H new ATOM 0 HG SER A 54 -8.641 -0.825 -8.799 1.00 12.41 H new ATOM 864 N GLU A 55 -5.875 2.576 -10.707 1.00 33.33 N ATOM 865 CA GLU A 55 -5.378 3.231 -11.910 1.00 43.10 C ATOM 866 C GLU A 55 -4.213 4.161 -11.582 1.00 31.21 C ATOM 867 O GLU A 55 -3.349 4.412 -12.421 1.00 32.41 O ATOM 868 CB GLU A 55 -6.500 4.020 -12.589 1.00 65.02 C ATOM 869 CG GLU A 55 -7.352 3.182 -13.527 1.00 11.53 C ATOM 870 CD GLU A 55 -6.805 3.149 -14.941 1.00 12.25 C ATOM 871 OE1 GLU A 55 -5.627 2.775 -15.112 1.00 63.02 O ATOM 872 OE2 GLU A 55 -7.557 3.498 -15.874 1.00 43.44 O ATOM 0 H GLU A 55 -6.730 2.983 -10.327 1.00 33.33 H new ATOM 0 HA GLU A 55 -5.023 2.459 -12.592 1.00 43.10 H new ATOM 0 HB2 GLU A 55 -7.140 4.457 -11.823 1.00 65.02 H new ATOM 0 HB3 GLU A 55 -6.064 4.847 -13.149 1.00 65.02 H new ATOM 0 HG2 GLU A 55 -7.415 2.164 -13.142 1.00 11.53 H new ATOM 0 HG3 GLU A 55 -8.367 3.580 -13.543 1.00 11.53 H new ATOM 879 N GLY A 56 -4.198 4.670 -10.353 1.00 72.03 N ATOM 880 CA GLY A 56 -3.138 5.567 -9.935 1.00 5.45 C ATOM 881 C GLY A 56 -1.772 4.911 -9.982 1.00 45.21 C ATOM 882 O GLY A 56 -0.809 5.500 -10.477 1.00 35.50 O ATOM 0 H GLY A 56 -4.902 4.476 -9.640 1.00 72.03 H new ATOM 0 HA2 GLY A 56 -3.137 6.448 -10.577 1.00 5.45 H new ATOM 0 HA3 GLY A 56 -3.337 5.912 -8.921 1.00 5.45 H new ATOM 886 N CYS A 57 -1.685 3.690 -9.465 1.00 52.34 N ATOM 887 CA CYS A 57 -0.426 2.955 -9.448 1.00 22.51 C ATOM 888 C CYS A 57 0.190 2.899 -10.842 1.00 63.21 C ATOM 889 O CYS A 57 1.328 3.322 -11.047 1.00 5.43 O ATOM 890 CB CYS A 57 -0.646 1.538 -8.918 1.00 73.22 C ATOM 891 SG CYS A 57 0.398 1.106 -7.507 1.00 0.12 S ATOM 0 H CYS A 57 -2.472 3.189 -9.052 1.00 52.34 H new ATOM 0 HA CYS A 57 0.263 3.480 -8.787 1.00 22.51 H new ATOM 0 HB2 CYS A 57 -1.691 1.428 -8.630 1.00 73.22 H new ATOM 0 HB3 CYS A 57 -0.461 0.828 -9.724 1.00 73.22 H new ATOM 0 HG CYS A 57 0.971 -0.040 -7.726 1.00 0.12 H new ATOM 897 N ARG A 58 -0.569 2.372 -11.798 1.00 43.42 N ATOM 898 CA ARG A 58 -0.096 2.259 -13.173 1.00 11.33 C ATOM 899 C ARG A 58 0.643 3.523 -13.600 1.00 41.24 C ATOM 900 O ARG A 58 1.624 3.460 -14.341 1.00 43.04 O ATOM 901 CB ARG A 58 -1.269 1.997 -14.119 1.00 15.53 C ATOM 902 CG ARG A 58 -1.190 0.657 -14.832 1.00 50.45 C ATOM 903 CD ARG A 58 -0.363 0.753 -16.105 1.00 51.50 C ATOM 904 NE ARG A 58 -1.190 1.041 -17.274 1.00 64.52 N ATOM 905 CZ ARG A 58 -1.926 0.128 -17.897 1.00 35.42 C ATOM 906 NH1 ARG A 58 -1.939 -1.126 -17.464 1.00 14.14 N ATOM 907 NH2 ARG A 58 -2.653 0.467 -18.954 1.00 64.40 N ATOM 0 H ARG A 58 -1.513 2.017 -11.646 1.00 43.42 H new ATOM 0 HA ARG A 58 0.597 1.419 -13.224 1.00 11.33 H new ATOM 0 HB2 ARG A 58 -2.199 2.043 -13.552 1.00 15.53 H new ATOM 0 HB3 ARG A 58 -1.309 2.793 -14.863 1.00 15.53 H new ATOM 0 HG2 ARG A 58 -0.751 -0.086 -14.166 1.00 50.45 H new ATOM 0 HG3 ARG A 58 -2.195 0.313 -15.075 1.00 50.45 H new ATOM 0 HD2 ARG A 58 0.388 1.534 -15.991 1.00 51.50 H new ATOM 0 HD3 ARG A 58 0.172 -0.184 -16.261 1.00 51.50 H new ATOM 0 HE ARG A 58 -1.203 1.996 -17.632 1.00 64.52 H new ATOM 0 HH11 ARG A 58 -1.383 -1.391 -16.651 1.00 14.14 H new ATOM 0 HH12 ARG A 58 -2.505 -1.826 -17.944 1.00 14.14 H new ATOM 0 HH21 ARG A 58 -2.647 1.430 -19.289 1.00 64.40 H new ATOM 0 HH22 ARG A 58 -3.218 -0.236 -19.431 1.00 64.40 H new ATOM 921 N GLN A 59 0.165 4.670 -13.128 1.00 74.14 N ATOM 922 CA GLN A 59 0.779 5.949 -13.464 1.00 4.32 C ATOM 923 C GLN A 59 2.073 6.153 -12.683 1.00 24.11 C ATOM 924 O GLN A 59 3.084 6.581 -13.239 1.00 64.32 O ATOM 925 CB GLN A 59 -0.190 7.097 -13.174 1.00 34.30 C ATOM 926 CG GLN A 59 -0.487 7.963 -14.387 1.00 51.34 C ATOM 927 CD GLN A 59 0.768 8.530 -15.021 1.00 64.35 C ATOM 928 OE1 GLN A 59 1.552 9.219 -14.368 1.00 34.35 O ATOM 929 NE2 GLN A 59 0.967 8.240 -16.302 1.00 54.54 N ATOM 0 H GLN A 59 -0.645 4.740 -12.512 1.00 74.14 H new ATOM 0 HA GLN A 59 1.014 5.941 -14.528 1.00 4.32 H new ATOM 0 HB2 GLN A 59 -1.125 6.685 -12.794 1.00 34.30 H new ATOM 0 HB3 GLN A 59 0.227 7.723 -12.385 1.00 34.30 H new ATOM 0 HG2 GLN A 59 -1.028 7.373 -15.126 1.00 51.34 H new ATOM 0 HG3 GLN A 59 -1.142 8.782 -14.092 1.00 51.34 H new ATOM 0 HE21 GLN A 59 0.291 7.665 -16.806 1.00 54.54 H new ATOM 0 HE22 GLN A 59 1.795 8.592 -16.782 1.00 54.54 H new ATOM 938 N ILE A 60 2.034 5.842 -11.392 1.00 13.24 N ATOM 939 CA ILE A 60 3.204 5.990 -10.535 1.00 13.33 C ATOM 940 C ILE A 60 4.390 5.202 -11.081 1.00 75.31 C ATOM 941 O ILE A 60 5.454 5.762 -11.344 1.00 73.02 O ATOM 942 CB ILE A 60 2.912 5.524 -9.096 1.00 75.23 C ATOM 943 CG1 ILE A 60 1.706 6.276 -8.528 1.00 44.53 C ATOM 944 CG2 ILE A 60 4.135 5.728 -8.214 1.00 34.42 C ATOM 945 CD1 ILE A 60 1.075 5.594 -7.334 1.00 50.35 C ATOM 0 H ILE A 60 1.205 5.486 -10.916 1.00 13.24 H new ATOM 0 HA ILE A 60 3.451 7.052 -10.521 1.00 13.33 H new ATOM 0 HB ILE A 60 2.677 4.460 -9.115 1.00 75.23 H new ATOM 0 HG12 ILE A 60 2.017 7.280 -8.240 1.00 44.53 H new ATOM 0 HG13 ILE A 60 0.956 6.387 -9.311 1.00 44.53 H new ATOM 0 HG21 ILE A 60 3.913 5.394 -7.201 1.00 34.42 H new ATOM 0 HG22 ILE A 60 4.970 5.151 -8.611 1.00 34.42 H new ATOM 0 HG23 ILE A 60 4.400 6.785 -8.198 1.00 34.42 H new ATOM 0 HD11 ILE A 60 0.227 6.183 -6.985 1.00 50.35 H new ATOM 0 HD12 ILE A 60 0.733 4.600 -7.622 1.00 50.35 H new ATOM 0 HD13 ILE A 60 1.810 5.507 -6.534 1.00 50.35 H new ATOM 957 N LEU A 61 4.197 3.898 -11.252 1.00 51.13 N ATOM 958 CA LEU A 61 5.250 3.031 -11.770 1.00 53.25 C ATOM 959 C LEU A 61 5.782 3.555 -13.100 1.00 51.53 C ATOM 960 O LEU A 61 6.903 3.243 -13.499 1.00 34.03 O ATOM 961 CB LEU A 61 4.723 1.606 -11.946 1.00 13.05 C ATOM 962 CG LEU A 61 4.197 0.924 -10.681 1.00 43.43 C ATOM 963 CD1 LEU A 61 2.990 0.059 -11.004 1.00 73.41 C ATOM 964 CD2 LEU A 61 5.292 0.093 -10.029 1.00 3.53 C ATOM 0 H LEU A 61 3.322 3.419 -11.040 1.00 51.13 H new ATOM 0 HA LEU A 61 6.068 3.024 -11.050 1.00 53.25 H new ATOM 0 HB2 LEU A 61 3.922 1.625 -12.685 1.00 13.05 H new ATOM 0 HB3 LEU A 61 5.523 0.992 -12.360 1.00 13.05 H new ATOM 0 HG LEU A 61 3.887 1.696 -9.977 1.00 43.43 H new ATOM 0 HD11 LEU A 61 2.630 -0.418 -10.092 1.00 73.41 H new ATOM 0 HD12 LEU A 61 2.200 0.680 -11.425 1.00 73.41 H new ATOM 0 HD13 LEU A 61 3.274 -0.707 -11.726 1.00 73.41 H new ATOM 0 HD21 LEU A 61 4.900 -0.385 -9.131 1.00 3.53 H new ATOM 0 HD22 LEU A 61 5.633 -0.671 -10.727 1.00 3.53 H new ATOM 0 HD23 LEU A 61 6.128 0.739 -9.761 1.00 3.53 H new ATOM 976 N GLY A 62 4.969 4.357 -13.783 1.00 3.13 N ATOM 977 CA GLY A 62 5.376 4.914 -15.059 1.00 22.44 C ATOM 978 C GLY A 62 6.517 5.904 -14.922 1.00 74.45 C ATOM 979 O GLY A 62 7.381 5.987 -15.795 1.00 2.25 O ATOM 0 H GLY A 62 4.036 4.630 -13.474 1.00 3.13 H new ATOM 0 HA2 GLY A 62 5.678 4.106 -15.725 1.00 22.44 H new ATOM 0 HA3 GLY A 62 4.524 5.409 -15.525 1.00 22.44 H new ATOM 983 N GLN A 63 6.517 6.655 -13.826 1.00 64.24 N ATOM 984 CA GLN A 63 7.559 7.646 -13.581 1.00 62.24 C ATOM 985 C GLN A 63 8.881 6.970 -13.229 1.00 51.00 C ATOM 986 O GLN A 63 9.939 7.357 -13.724 1.00 40.32 O ATOM 987 CB GLN A 63 7.139 8.590 -12.454 1.00 52.30 C ATOM 988 CG GLN A 63 6.634 9.937 -12.945 1.00 31.03 C ATOM 989 CD GLN A 63 6.095 10.803 -11.822 1.00 65.02 C ATOM 990 OE1 GLN A 63 6.729 10.949 -10.777 1.00 21.10 O ATOM 991 NE2 GLN A 63 4.920 11.382 -12.034 1.00 52.20 N ATOM 0 H GLN A 63 5.809 6.597 -13.094 1.00 64.24 H new ATOM 0 HA GLN A 63 7.699 8.223 -14.495 1.00 62.24 H new ATOM 0 HB2 GLN A 63 6.358 8.112 -11.863 1.00 52.30 H new ATOM 0 HB3 GLN A 63 7.988 8.750 -11.790 1.00 52.30 H new ATOM 0 HG2 GLN A 63 7.445 10.464 -13.448 1.00 31.03 H new ATOM 0 HG3 GLN A 63 5.850 9.779 -13.685 1.00 31.03 H new ATOM 0 HE21 GLN A 63 4.430 11.233 -12.916 1.00 52.20 H new ATOM 0 HE22 GLN A 63 4.507 11.976 -11.315 1.00 52.20 H new ATOM 1000 N LEU A 64 8.811 5.959 -12.370 1.00 62.43 N ATOM 1001 CA LEU A 64 10.003 5.229 -11.951 1.00 20.21 C ATOM 1002 C LEU A 64 10.417 4.210 -13.009 1.00 20.02 C ATOM 1003 O LEU A 64 11.543 3.712 -12.996 1.00 33.13 O ATOM 1004 CB LEU A 64 9.750 4.523 -10.619 1.00 33.34 C ATOM 1005 CG LEU A 64 8.908 5.293 -9.600 1.00 52.30 C ATOM 1006 CD1 LEU A 64 8.479 4.380 -8.463 1.00 35.52 C ATOM 1007 CD2 LEU A 64 9.680 6.489 -9.064 1.00 44.22 C ATOM 0 H LEU A 64 7.943 5.626 -11.950 1.00 62.43 H new ATOM 0 HA LEU A 64 10.814 5.947 -11.827 1.00 20.21 H new ATOM 0 HB2 LEU A 64 9.258 3.572 -10.823 1.00 33.34 H new ATOM 0 HB3 LEU A 64 10.713 4.292 -10.164 1.00 33.34 H new ATOM 0 HG LEU A 64 8.012 5.660 -10.101 1.00 52.30 H new ATOM 0 HD11 LEU A 64 7.881 4.945 -7.748 1.00 35.52 H new ATOM 0 HD12 LEU A 64 7.886 3.557 -8.861 1.00 35.52 H new ATOM 0 HD13 LEU A 64 9.362 3.982 -7.963 1.00 35.52 H new ATOM 0 HD21 LEU A 64 9.065 7.024 -8.341 1.00 44.22 H new ATOM 0 HD22 LEU A 64 10.594 6.145 -8.579 1.00 44.22 H new ATOM 0 HD23 LEU A 64 9.935 7.156 -9.887 1.00 44.22 H new ATOM 1019 N GLN A 65 9.501 3.907 -13.923 1.00 23.03 N ATOM 1020 CA GLN A 65 9.773 2.949 -14.987 1.00 2.40 C ATOM 1021 C GLN A 65 11.054 3.311 -15.731 1.00 64.21 C ATOM 1022 O GLN A 65 12.015 2.541 -15.775 1.00 33.44 O ATOM 1023 CB GLN A 65 8.599 2.895 -15.966 1.00 13.41 C ATOM 1024 CG GLN A 65 7.946 1.526 -16.060 1.00 43.03 C ATOM 1025 CD GLN A 65 7.363 1.250 -17.432 1.00 44.24 C ATOM 1026 OE1 GLN A 65 7.703 0.257 -18.076 1.00 63.12 O ATOM 1027 NE2 GLN A 65 6.480 2.131 -17.889 1.00 14.25 N ATOM 0 H GLN A 65 8.565 4.311 -13.948 1.00 23.03 H new ATOM 0 HA GLN A 65 9.903 1.967 -14.532 1.00 2.40 H new ATOM 0 HB2 GLN A 65 7.849 3.625 -15.662 1.00 13.41 H new ATOM 0 HB3 GLN A 65 8.948 3.190 -16.955 1.00 13.41 H new ATOM 0 HG2 GLN A 65 8.683 0.759 -15.822 1.00 43.03 H new ATOM 0 HG3 GLN A 65 7.156 1.452 -15.312 1.00 43.03 H new ATOM 0 HE21 GLN A 65 6.227 2.940 -17.322 1.00 14.25 H new ATOM 0 HE22 GLN A 65 6.055 1.998 -18.807 1.00 14.25 H new ATOM 1036 N PRO A 66 11.072 4.510 -16.332 1.00 3.33 N ATOM 1037 CA PRO A 66 12.230 5.001 -17.084 1.00 60.11 C ATOM 1038 C PRO A 66 13.414 5.327 -16.180 1.00 52.01 C ATOM 1039 O PRO A 66 14.474 5.738 -16.653 1.00 55.31 O ATOM 1040 CB PRO A 66 11.704 6.272 -17.756 1.00 33.13 C ATOM 1041 CG PRO A 66 10.588 6.728 -16.881 1.00 31.14 C ATOM 1042 CD PRO A 66 9.964 5.479 -16.321 1.00 0.21 C ATOM 0 HA PRO A 66 12.606 4.256 -17.785 1.00 60.11 H new ATOM 0 HB2 PRO A 66 12.483 7.031 -17.832 1.00 33.13 H new ATOM 0 HB3 PRO A 66 11.356 6.069 -18.769 1.00 33.13 H new ATOM 0 HG2 PRO A 66 10.956 7.372 -16.082 1.00 31.14 H new ATOM 0 HG3 PRO A 66 9.860 7.308 -17.448 1.00 31.14 H new ATOM 0 HD2 PRO A 66 9.580 5.639 -15.314 1.00 0.21 H new ATOM 0 HD3 PRO A 66 9.127 5.139 -16.931 1.00 0.21 H new ATOM 1050 N SER A 67 13.227 5.140 -14.878 1.00 31.44 N ATOM 1051 CA SER A 67 14.278 5.418 -13.907 1.00 25.44 C ATOM 1052 C SER A 67 14.857 4.121 -13.347 1.00 1.30 C ATOM 1053 O SER A 67 15.894 4.126 -12.681 1.00 42.45 O ATOM 1054 CB SER A 67 13.735 6.281 -12.766 1.00 44.15 C ATOM 1055 OG SER A 67 13.345 7.559 -13.237 1.00 5.41 O ATOM 0 H SER A 67 12.357 4.797 -14.471 1.00 31.44 H new ATOM 0 HA SER A 67 15.073 5.962 -14.417 1.00 25.44 H new ATOM 0 HB2 SER A 67 12.882 5.784 -12.304 1.00 44.15 H new ATOM 0 HB3 SER A 67 14.497 6.391 -11.994 1.00 44.15 H new ATOM 0 HG SER A 67 13.000 8.092 -12.490 1.00 5.41 H new ATOM 1061 N LEU A 68 14.180 3.012 -13.621 1.00 52.03 N ATOM 1062 CA LEU A 68 14.625 1.707 -13.145 1.00 62.34 C ATOM 1063 C LEU A 68 16.045 1.411 -13.615 1.00 3.55 C ATOM 1064 O LEU A 68 16.820 0.763 -12.911 1.00 51.01 O ATOM 1065 CB LEU A 68 13.675 0.612 -13.636 1.00 65.30 C ATOM 1066 CG LEU A 68 12.447 0.349 -12.766 1.00 20.21 C ATOM 1067 CD1 LEU A 68 11.399 -0.434 -13.543 1.00 41.50 C ATOM 1068 CD2 LEU A 68 12.840 -0.396 -11.499 1.00 3.43 C ATOM 0 H LEU A 68 13.321 2.990 -14.170 1.00 52.03 H new ATOM 0 HA LEU A 68 14.619 1.724 -12.055 1.00 62.34 H new ATOM 0 HB2 LEU A 68 13.336 0.876 -14.638 1.00 65.30 H new ATOM 0 HB3 LEU A 68 14.238 -0.317 -13.724 1.00 65.30 H new ATOM 0 HG LEU A 68 12.016 1.309 -12.481 1.00 20.21 H new ATOM 0 HD11 LEU A 68 10.532 -0.612 -12.907 1.00 41.50 H new ATOM 0 HD12 LEU A 68 11.095 0.137 -14.420 1.00 41.50 H new ATOM 0 HD13 LEU A 68 11.819 -1.389 -13.859 1.00 41.50 H new ATOM 0 HD21 LEU A 68 11.953 -0.574 -10.892 1.00 3.43 H new ATOM 0 HD22 LEU A 68 13.296 -1.350 -11.764 1.00 3.43 H new ATOM 0 HD23 LEU A 68 13.553 0.202 -10.932 1.00 3.43 H new ATOM 1080 N GLN A 69 16.382 1.893 -14.807 1.00 72.15 N ATOM 1081 CA GLN A 69 17.710 1.682 -15.370 1.00 32.02 C ATOM 1082 C GLN A 69 18.793 2.058 -14.363 1.00 70.03 C ATOM 1083 O GLN A 69 19.718 1.285 -14.112 1.00 71.13 O ATOM 1084 CB GLN A 69 17.882 2.501 -16.650 1.00 33.41 C ATOM 1085 CG GLN A 69 18.439 1.699 -17.814 1.00 73.25 C ATOM 1086 CD GLN A 69 19.828 1.158 -17.539 1.00 62.43 C ATOM 1087 OE1 GLN A 69 20.780 1.920 -17.365 1.00 34.23 O ATOM 1088 NE2 GLN A 69 19.951 -0.164 -17.498 1.00 1.42 N ATOM 0 H GLN A 69 15.753 2.433 -15.402 1.00 72.15 H new ATOM 0 HA GLN A 69 17.811 0.623 -15.609 1.00 32.02 H new ATOM 0 HB2 GLN A 69 16.917 2.919 -16.936 1.00 33.41 H new ATOM 0 HB3 GLN A 69 18.546 3.341 -16.447 1.00 33.41 H new ATOM 0 HG2 GLN A 69 17.767 0.869 -18.033 1.00 73.25 H new ATOM 0 HG3 GLN A 69 18.468 2.329 -18.703 1.00 73.25 H new ATOM 0 HE21 GLN A 69 19.135 -0.757 -17.648 1.00 1.42 H new ATOM 0 HE22 GLN A 69 20.862 -0.586 -17.317 1.00 1.42 H new ATOM 1097 N THR A 70 18.673 3.251 -13.789 1.00 13.15 N ATOM 1098 CA THR A 70 19.642 3.730 -12.811 1.00 14.21 C ATOM 1099 C THR A 70 18.945 4.347 -11.604 1.00 20.21 C ATOM 1100 O THR A 70 19.241 5.475 -11.213 1.00 23.40 O ATOM 1101 CB THR A 70 20.593 4.772 -13.428 1.00 41.02 C ATOM 1102 OG1 THR A 70 19.853 5.923 -13.850 1.00 31.05 O ATOM 1103 CG2 THR A 70 21.345 4.183 -14.613 1.00 41.42 C ATOM 0 H THR A 70 17.914 3.904 -13.985 1.00 13.15 H new ATOM 0 HA THR A 70 20.222 2.865 -12.489 1.00 14.21 H new ATOM 0 HB THR A 70 21.317 5.066 -12.668 1.00 41.02 H new ATOM 0 HG1 THR A 70 19.418 6.335 -13.074 1.00 31.05 H new ATOM 0 HG21 THR A 70 22.011 4.937 -15.033 1.00 41.42 H new ATOM 0 HG22 THR A 70 21.931 3.325 -14.282 1.00 41.42 H new ATOM 0 HG23 THR A 70 20.633 3.864 -15.374 1.00 41.42 H new ATOM 1111 N GLY A 71 18.017 3.598 -11.015 1.00 44.13 N ATOM 1112 CA GLY A 71 17.293 4.088 -9.857 1.00 1.13 C ATOM 1113 C GLY A 71 17.935 3.665 -8.550 1.00 10.32 C ATOM 1114 O GLY A 71 18.098 2.474 -8.287 1.00 44.24 O ATOM 0 H GLY A 71 17.754 2.661 -11.320 1.00 44.13 H new ATOM 0 HA2 GLY A 71 17.242 5.176 -9.898 1.00 1.13 H new ATOM 0 HA3 GLY A 71 16.268 3.719 -9.891 1.00 1.13 H new ATOM 1118 N SER A 72 18.302 4.644 -7.729 1.00 2.30 N ATOM 1119 CA SER A 72 18.936 4.368 -6.446 1.00 33.04 C ATOM 1120 C SER A 72 18.134 3.337 -5.655 1.00 11.04 C ATOM 1121 O SER A 72 17.020 2.979 -6.035 1.00 33.31 O ATOM 1122 CB SER A 72 19.072 5.656 -5.632 1.00 43.25 C ATOM 1123 OG SER A 72 17.978 5.820 -4.747 1.00 23.30 O ATOM 0 H SER A 72 18.171 5.635 -7.930 1.00 2.30 H new ATOM 0 HA SER A 72 19.929 3.962 -6.640 1.00 33.04 H new ATOM 0 HB2 SER A 72 20.002 5.634 -5.064 1.00 43.25 H new ATOM 0 HB3 SER A 72 19.130 6.511 -6.306 1.00 43.25 H new ATOM 0 HG SER A 72 18.091 6.650 -4.238 1.00 23.30 H new ATOM 1129 N GLU A 73 18.711 2.866 -4.554 1.00 14.23 N ATOM 1130 CA GLU A 73 18.051 1.877 -3.710 1.00 2.10 C ATOM 1131 C GLU A 73 16.613 2.289 -3.411 1.00 53.20 C ATOM 1132 O GLU A 73 15.730 1.443 -3.270 1.00 22.10 O ATOM 1133 CB GLU A 73 18.823 1.692 -2.403 1.00 1.43 C ATOM 1134 CG GLU A 73 18.731 0.287 -1.834 1.00 33.44 C ATOM 1135 CD GLU A 73 18.331 0.273 -0.372 1.00 34.13 C ATOM 1136 OE1 GLU A 73 17.158 0.587 -0.075 1.00 64.14 O ATOM 1137 OE2 GLU A 73 19.188 -0.050 0.476 1.00 4.44 O ATOM 0 H GLU A 73 19.633 3.153 -4.226 1.00 14.23 H new ATOM 0 HA GLU A 73 18.034 0.930 -4.250 1.00 2.10 H new ATOM 0 HB2 GLU A 73 19.871 1.938 -2.572 1.00 1.43 H new ATOM 0 HB3 GLU A 73 18.445 2.399 -1.665 1.00 1.43 H new ATOM 0 HG2 GLU A 73 18.006 -0.287 -2.410 1.00 33.44 H new ATOM 0 HG3 GLU A 73 19.694 -0.210 -1.948 1.00 33.44 H new ATOM 1144 N GLU A 74 16.386 3.596 -3.314 1.00 64.31 N ATOM 1145 CA GLU A 74 15.056 4.120 -3.030 1.00 51.43 C ATOM 1146 C GLU A 74 14.085 3.785 -4.159 1.00 64.23 C ATOM 1147 O GLU A 74 12.942 3.397 -3.917 1.00 43.50 O ATOM 1148 CB GLU A 74 15.114 5.635 -2.826 1.00 54.10 C ATOM 1149 CG GLU A 74 14.247 6.129 -1.678 1.00 24.40 C ATOM 1150 CD GLU A 74 13.535 7.428 -2.001 1.00 62.22 C ATOM 1151 OE1 GLU A 74 12.477 7.375 -2.662 1.00 32.22 O ATOM 1152 OE2 GLU A 74 14.036 8.497 -1.594 1.00 71.40 O ATOM 0 H GLU A 74 17.106 4.310 -3.428 1.00 64.31 H new ATOM 0 HA GLU A 74 14.697 3.650 -2.114 1.00 51.43 H new ATOM 0 HB2 GLU A 74 16.147 5.929 -2.642 1.00 54.10 H new ATOM 0 HB3 GLU A 74 14.801 6.129 -3.746 1.00 54.10 H new ATOM 0 HG2 GLU A 74 13.509 5.366 -1.431 1.00 24.40 H new ATOM 0 HG3 GLU A 74 14.868 6.270 -0.793 1.00 24.40 H new ATOM 1159 N LEU A 75 14.550 3.938 -5.394 1.00 62.54 N ATOM 1160 CA LEU A 75 13.725 3.652 -6.564 1.00 33.44 C ATOM 1161 C LEU A 75 13.398 2.165 -6.649 1.00 20.22 C ATOM 1162 O LEU A 75 12.301 1.783 -7.058 1.00 72.11 O ATOM 1163 CB LEU A 75 14.439 4.103 -7.839 1.00 10.04 C ATOM 1164 CG LEU A 75 13.555 4.733 -8.916 1.00 2.23 C ATOM 1165 CD1 LEU A 75 14.028 6.143 -9.236 1.00 33.30 C ATOM 1166 CD2 LEU A 75 13.547 3.872 -10.170 1.00 41.24 C ATOM 0 H LEU A 75 15.494 4.258 -5.612 1.00 62.54 H new ATOM 0 HA LEU A 75 12.791 4.205 -6.463 1.00 33.44 H new ATOM 0 HB2 LEU A 75 15.211 4.822 -7.564 1.00 10.04 H new ATOM 0 HB3 LEU A 75 14.946 3.241 -8.272 1.00 10.04 H new ATOM 0 HG LEU A 75 12.536 4.792 -8.535 1.00 2.23 H new ATOM 0 HD11 LEU A 75 13.388 6.576 -10.004 1.00 33.30 H new ATOM 0 HD12 LEU A 75 13.980 6.756 -8.336 1.00 33.30 H new ATOM 0 HD13 LEU A 75 15.056 6.109 -9.597 1.00 33.30 H new ATOM 0 HD21 LEU A 75 12.913 4.336 -10.926 1.00 41.24 H new ATOM 0 HD22 LEU A 75 14.563 3.780 -10.555 1.00 41.24 H new ATOM 0 HD23 LEU A 75 13.160 2.882 -9.929 1.00 41.24 H new ATOM 1178 N ARG A 76 14.356 1.330 -6.258 1.00 15.12 N ATOM 1179 CA ARG A 76 14.168 -0.116 -6.289 1.00 1.32 C ATOM 1180 C ARG A 76 13.158 -0.556 -5.233 1.00 52.42 C ATOM 1181 O ARG A 76 12.196 -1.260 -5.537 1.00 75.22 O ATOM 1182 CB ARG A 76 15.503 -0.828 -6.062 1.00 73.13 C ATOM 1183 CG ARG A 76 16.017 -1.563 -7.289 1.00 43.43 C ATOM 1184 CD ARG A 76 17.516 -1.378 -7.461 1.00 5.20 C ATOM 1185 NE ARG A 76 18.016 -2.045 -8.661 1.00 22.04 N ATOM 1186 CZ ARG A 76 17.872 -1.558 -9.888 1.00 35.41 C ATOM 1187 NH1 ARG A 76 17.245 -0.404 -10.076 1.00 64.25 N ATOM 1188 NH2 ARG A 76 18.354 -2.224 -10.929 1.00 35.35 N ATOM 0 H ARG A 76 15.269 1.630 -5.916 1.00 15.12 H new ATOM 0 HA ARG A 76 13.781 -0.387 -7.271 1.00 1.32 H new ATOM 0 HB2 ARG A 76 16.247 -0.096 -5.749 1.00 73.13 H new ATOM 0 HB3 ARG A 76 15.392 -1.539 -5.243 1.00 73.13 H new ATOM 0 HG2 ARG A 76 15.788 -2.625 -7.201 1.00 43.43 H new ATOM 0 HG3 ARG A 76 15.500 -1.198 -8.176 1.00 43.43 H new ATOM 0 HD2 ARG A 76 17.746 -0.314 -7.515 1.00 5.20 H new ATOM 0 HD3 ARG A 76 18.033 -1.772 -6.586 1.00 5.20 H new ATOM 0 HE ARG A 76 18.503 -2.934 -8.550 1.00 22.04 H new ATOM 0 HH11 ARG A 76 16.873 0.110 -9.278 1.00 64.25 H new ATOM 0 HH12 ARG A 76 17.135 -0.031 -11.019 1.00 64.25 H new ATOM 0 HH21 ARG A 76 18.836 -3.112 -10.788 1.00 35.35 H new ATOM 0 HH22 ARG A 76 18.242 -1.848 -11.871 1.00 35.35 H new ATOM 1202 N SER A 77 13.385 -0.137 -3.992 1.00 45.33 N ATOM 1203 CA SER A 77 12.498 -0.491 -2.891 1.00 74.50 C ATOM 1204 C SER A 77 11.078 0.001 -3.157 1.00 24.10 C ATOM 1205 O SER A 77 10.108 -0.557 -2.642 1.00 3.02 O ATOM 1206 CB SER A 77 13.018 0.099 -1.579 1.00 31.23 C ATOM 1207 OG SER A 77 14.209 -0.546 -1.166 1.00 32.54 O ATOM 0 H SER A 77 14.176 0.448 -3.724 1.00 45.33 H new ATOM 0 HA SER A 77 12.477 -1.578 -2.809 1.00 74.50 H new ATOM 0 HB2 SER A 77 13.203 1.166 -1.705 1.00 31.23 H new ATOM 0 HB3 SER A 77 12.258 -0.003 -0.804 1.00 31.23 H new ATOM 0 HG SER A 77 14.522 -0.149 -0.326 1.00 32.54 H new ATOM 1213 N LEU A 78 10.965 1.050 -3.964 1.00 21.22 N ATOM 1214 CA LEU A 78 9.665 1.620 -4.300 1.00 34.40 C ATOM 1215 C LEU A 78 8.911 0.720 -5.275 1.00 40.01 C ATOM 1216 O LEU A 78 7.831 0.217 -4.964 1.00 11.44 O ATOM 1217 CB LEU A 78 9.837 3.014 -4.905 1.00 23.35 C ATOM 1218 CG LEU A 78 9.140 4.157 -4.165 1.00 73.15 C ATOM 1219 CD1 LEU A 78 9.441 4.092 -2.676 1.00 42.04 C ATOM 1220 CD2 LEU A 78 9.565 5.501 -4.740 1.00 31.22 C ATOM 0 H LEU A 78 11.758 1.523 -4.398 1.00 21.22 H new ATOM 0 HA LEU A 78 9.083 1.699 -3.382 1.00 34.40 H new ATOM 0 HB2 LEU A 78 10.903 3.237 -4.956 1.00 23.35 H new ATOM 0 HB3 LEU A 78 9.466 2.992 -5.930 1.00 23.35 H new ATOM 0 HG LEU A 78 8.064 4.050 -4.301 1.00 73.15 H new ATOM 0 HD11 LEU A 78 8.937 4.913 -2.167 1.00 42.04 H new ATOM 0 HD12 LEU A 78 9.086 3.143 -2.274 1.00 42.04 H new ATOM 0 HD13 LEU A 78 10.516 4.173 -2.518 1.00 42.04 H new ATOM 0 HD21 LEU A 78 9.060 6.303 -4.202 1.00 31.22 H new ATOM 0 HD22 LEU A 78 10.644 5.617 -4.635 1.00 31.22 H new ATOM 0 HD23 LEU A 78 9.296 5.547 -5.795 1.00 31.22 H new ATOM 1232 N TYR A 79 9.489 0.519 -6.454 1.00 20.43 N ATOM 1233 CA TYR A 79 8.873 -0.320 -7.475 1.00 35.45 C ATOM 1234 C TYR A 79 8.359 -1.624 -6.871 1.00 14.23 C ATOM 1235 O TYR A 79 7.240 -2.052 -7.151 1.00 53.34 O ATOM 1236 CB TYR A 79 9.875 -0.622 -8.589 1.00 61.13 C ATOM 1237 CG TYR A 79 9.286 -0.516 -9.978 1.00 43.22 C ATOM 1238 CD1 TYR A 79 8.723 0.673 -10.426 1.00 14.32 C ATOM 1239 CD2 TYR A 79 9.291 -1.604 -10.843 1.00 1.45 C ATOM 1240 CE1 TYR A 79 8.183 0.775 -11.693 1.00 32.34 C ATOM 1241 CE2 TYR A 79 8.756 -1.511 -12.111 1.00 52.25 C ATOM 1242 CZ TYR A 79 8.202 -0.319 -12.533 1.00 0.11 C ATOM 1243 OH TYR A 79 7.666 -0.223 -13.796 1.00 14.41 O ATOM 0 H TYR A 79 10.384 0.926 -6.726 1.00 20.43 H new ATOM 0 HA TYR A 79 8.027 0.224 -7.894 1.00 35.45 H new ATOM 0 HB2 TYR A 79 10.716 0.067 -8.506 1.00 61.13 H new ATOM 0 HB3 TYR A 79 10.271 -1.627 -8.447 1.00 61.13 H new ATOM 0 HD1 TYR A 79 8.707 1.532 -9.772 1.00 14.32 H new ATOM 0 HD2 TYR A 79 9.722 -2.539 -10.516 1.00 1.45 H new ATOM 0 HE1 TYR A 79 7.748 1.706 -12.024 1.00 32.34 H new ATOM 0 HE2 TYR A 79 8.770 -2.366 -12.770 1.00 52.25 H new ATOM 0 HH TYR A 79 7.761 -1.082 -14.258 1.00 14.41 H new ATOM 1253 N ASN A 80 9.185 -2.249 -6.039 1.00 2.43 N ATOM 1254 CA ASN A 80 8.815 -3.504 -5.394 1.00 3.33 C ATOM 1255 C ASN A 80 7.482 -3.369 -4.663 1.00 53.44 C ATOM 1256 O ASN A 80 6.489 -3.992 -5.040 1.00 1.21 O ATOM 1257 CB ASN A 80 9.905 -3.937 -4.411 1.00 30.10 C ATOM 1258 CG ASN A 80 11.061 -4.635 -5.101 1.00 51.14 C ATOM 1259 OD1 ASN A 80 11.500 -4.221 -6.174 1.00 54.54 O ATOM 1260 ND2 ASN A 80 11.559 -5.702 -4.488 1.00 44.32 N ATOM 0 H ASN A 80 10.115 -1.907 -5.795 1.00 2.43 H new ATOM 0 HA ASN A 80 8.709 -4.263 -6.169 1.00 3.33 H new ATOM 0 HB2 ASN A 80 10.278 -3.062 -3.878 1.00 30.10 H new ATOM 0 HB3 ASN A 80 9.474 -4.605 -3.665 1.00 30.10 H new ATOM 0 HD21 ASN A 80 12.336 -6.214 -4.906 1.00 44.32 H new ATOM 0 HD22 ASN A 80 11.164 -6.010 -3.599 1.00 44.32 H new ATOM 1267 N THR A 81 7.467 -2.547 -3.618 1.00 32.20 N ATOM 1268 CA THR A 81 6.258 -2.330 -2.834 1.00 73.13 C ATOM 1269 C THR A 81 5.139 -1.756 -3.697 1.00 45.53 C ATOM 1270 O THR A 81 4.053 -2.327 -3.783 1.00 74.31 O ATOM 1271 CB THR A 81 6.518 -1.378 -1.652 1.00 70.11 C ATOM 1272 OG1 THR A 81 7.473 -1.959 -0.757 1.00 63.24 O ATOM 1273 CG2 THR A 81 5.228 -1.081 -0.902 1.00 62.41 C ATOM 0 H THR A 81 8.279 -2.021 -3.295 1.00 32.20 H new ATOM 0 HA THR A 81 5.953 -3.303 -2.447 1.00 73.13 H new ATOM 0 HB THR A 81 6.913 -0.442 -2.048 1.00 70.11 H new ATOM 0 HG1 THR A 81 7.634 -1.347 -0.009 1.00 63.24 H new ATOM 0 HG21 THR A 81 5.437 -0.407 -0.072 1.00 62.41 H new ATOM 0 HG22 THR A 81 4.513 -0.613 -1.579 1.00 62.41 H new ATOM 0 HG23 THR A 81 4.808 -2.011 -0.518 1.00 62.41 H new ATOM 1281 N ILE A 82 5.414 -0.622 -4.335 1.00 71.34 N ATOM 1282 CA ILE A 82 4.431 0.028 -5.194 1.00 31.14 C ATOM 1283 C ILE A 82 3.703 -0.990 -6.065 1.00 42.41 C ATOM 1284 O ILE A 82 2.482 -0.943 -6.203 1.00 15.25 O ATOM 1285 CB ILE A 82 5.087 1.087 -6.099 1.00 62.32 C ATOM 1286 CG1 ILE A 82 5.790 2.150 -5.252 1.00 64.32 C ATOM 1287 CG2 ILE A 82 4.046 1.727 -7.005 1.00 71.02 C ATOM 1288 CD1 ILE A 82 4.874 3.267 -4.803 1.00 24.54 C ATOM 0 H ILE A 82 6.308 -0.135 -4.273 1.00 71.34 H new ATOM 0 HA ILE A 82 3.713 0.519 -4.537 1.00 31.14 H new ATOM 0 HB ILE A 82 5.833 0.597 -6.724 1.00 62.32 H new ATOM 0 HG12 ILE A 82 6.226 1.674 -4.374 1.00 64.32 H new ATOM 0 HG13 ILE A 82 6.613 2.575 -5.826 1.00 64.32 H new ATOM 0 HG21 ILE A 82 4.525 2.473 -7.639 1.00 71.02 H new ATOM 0 HG22 ILE A 82 3.587 0.961 -7.630 1.00 71.02 H new ATOM 0 HG23 ILE A 82 3.279 2.206 -6.396 1.00 71.02 H new ATOM 0 HD11 ILE A 82 5.439 3.984 -4.207 1.00 24.54 H new ATOM 0 HD12 ILE A 82 4.457 3.769 -5.676 1.00 24.54 H new ATOM 0 HD13 ILE A 82 4.064 2.854 -4.201 1.00 24.54 H new ATOM 1300 N ALA A 83 4.462 -1.910 -6.650 1.00 22.23 N ATOM 1301 CA ALA A 83 3.890 -2.943 -7.504 1.00 53.42 C ATOM 1302 C ALA A 83 2.802 -3.721 -6.772 1.00 35.44 C ATOM 1303 O ALA A 83 1.692 -3.882 -7.278 1.00 34.43 O ATOM 1304 CB ALA A 83 4.977 -3.886 -7.994 1.00 65.21 C ATOM 0 H ALA A 83 5.476 -1.961 -6.548 1.00 22.23 H new ATOM 0 HA ALA A 83 3.434 -2.455 -8.365 1.00 53.42 H new ATOM 0 HB1 ALA A 83 4.534 -4.652 -8.631 1.00 65.21 H new ATOM 0 HB2 ALA A 83 5.717 -3.324 -8.564 1.00 65.21 H new ATOM 0 HB3 ALA A 83 5.460 -4.359 -7.139 1.00 65.21 H new ATOM 1310 N VAL A 84 3.129 -4.204 -5.578 1.00 11.54 N ATOM 1311 CA VAL A 84 2.180 -4.965 -4.774 1.00 72.54 C ATOM 1312 C VAL A 84 0.852 -4.228 -4.647 1.00 33.55 C ATOM 1313 O VAL A 84 -0.217 -4.834 -4.724 1.00 74.21 O ATOM 1314 CB VAL A 84 2.735 -5.248 -3.365 1.00 44.14 C ATOM 1315 CG1 VAL A 84 1.801 -6.170 -2.598 1.00 13.12 C ATOM 1316 CG2 VAL A 84 4.132 -5.845 -3.455 1.00 30.34 C ATOM 0 H VAL A 84 4.045 -4.082 -5.146 1.00 11.54 H new ATOM 0 HA VAL A 84 2.019 -5.912 -5.289 1.00 72.54 H new ATOM 0 HB VAL A 84 2.801 -4.305 -2.822 1.00 44.14 H new ATOM 0 HG11 VAL A 84 2.210 -6.358 -1.605 1.00 13.12 H new ATOM 0 HG12 VAL A 84 0.822 -5.700 -2.504 1.00 13.12 H new ATOM 0 HG13 VAL A 84 1.700 -7.114 -3.134 1.00 13.12 H new ATOM 0 HG21 VAL A 84 4.510 -6.039 -2.451 1.00 30.34 H new ATOM 0 HG22 VAL A 84 4.093 -6.779 -4.015 1.00 30.34 H new ATOM 0 HG23 VAL A 84 4.795 -5.145 -3.963 1.00 30.34 H new ATOM 1326 N LEU A 85 0.927 -2.917 -4.451 1.00 51.41 N ATOM 1327 CA LEU A 85 -0.270 -2.094 -4.312 1.00 42.11 C ATOM 1328 C LEU A 85 -1.242 -2.349 -5.460 1.00 62.34 C ATOM 1329 O LEU A 85 -2.394 -2.723 -5.240 1.00 61.52 O ATOM 1330 CB LEU A 85 0.108 -0.612 -4.269 1.00 75.43 C ATOM 1331 CG LEU A 85 -0.323 0.154 -3.017 1.00 60.11 C ATOM 1332 CD1 LEU A 85 0.824 0.235 -2.021 1.00 70.24 C ATOM 1333 CD2 LEU A 85 -0.811 1.547 -3.386 1.00 24.22 C ATOM 0 H LEU A 85 1.804 -2.400 -4.385 1.00 51.41 H new ATOM 0 HA LEU A 85 -0.761 -2.365 -3.377 1.00 42.11 H new ATOM 0 HB2 LEU A 85 1.191 -0.531 -4.366 1.00 75.43 H new ATOM 0 HB3 LEU A 85 -0.328 -0.121 -5.139 1.00 75.43 H new ATOM 0 HG LEU A 85 -1.147 -0.385 -2.549 1.00 60.11 H new ATOM 0 HD11 LEU A 85 0.500 0.783 -1.136 1.00 70.24 H new ATOM 0 HD12 LEU A 85 1.128 -0.771 -1.733 1.00 70.24 H new ATOM 0 HD13 LEU A 85 1.668 0.751 -2.479 1.00 70.24 H new ATOM 0 HD21 LEU A 85 -1.114 2.078 -2.483 1.00 24.22 H new ATOM 0 HD22 LEU A 85 -0.008 2.096 -3.877 1.00 24.22 H new ATOM 0 HD23 LEU A 85 -1.662 1.467 -4.062 1.00 24.22 H new ATOM 1345 N TYR A 86 -0.769 -2.146 -6.685 1.00 33.15 N ATOM 1346 CA TYR A 86 -1.596 -2.354 -7.868 1.00 54.41 C ATOM 1347 C TYR A 86 -2.144 -3.777 -7.906 1.00 32.34 C ATOM 1348 O TYR A 86 -3.328 -3.992 -8.168 1.00 35.22 O ATOM 1349 CB TYR A 86 -0.789 -2.072 -9.136 1.00 41.02 C ATOM 1350 CG TYR A 86 -1.565 -2.309 -10.412 1.00 25.11 C ATOM 1351 CD1 TYR A 86 -2.451 -1.356 -10.898 1.00 21.05 C ATOM 1352 CD2 TYR A 86 -1.410 -3.487 -11.133 1.00 51.03 C ATOM 1353 CE1 TYR A 86 -3.161 -1.569 -12.062 1.00 51.13 C ATOM 1354 CE2 TYR A 86 -2.115 -3.707 -12.300 1.00 34.50 C ATOM 1355 CZ TYR A 86 -2.991 -2.746 -12.760 1.00 44.11 C ATOM 1356 OH TYR A 86 -3.695 -2.962 -13.923 1.00 14.50 O ATOM 0 H TYR A 86 0.183 -1.838 -6.885 1.00 33.15 H new ATOM 0 HA TYR A 86 -2.436 -1.662 -7.819 1.00 54.41 H new ATOM 0 HB2 TYR A 86 -0.446 -1.038 -9.116 1.00 41.02 H new ATOM 0 HB3 TYR A 86 0.100 -2.703 -9.139 1.00 41.02 H new ATOM 0 HD1 TYR A 86 -2.587 -0.432 -10.355 1.00 21.05 H new ATOM 0 HD2 TYR A 86 -0.727 -4.243 -10.775 1.00 51.03 H new ATOM 0 HE1 TYR A 86 -3.847 -0.817 -12.425 1.00 51.13 H new ATOM 0 HE2 TYR A 86 -1.981 -4.627 -12.850 1.00 34.50 H new ATOM 0 HH TYR A 86 -3.458 -3.839 -14.291 1.00 14.50 H new ATOM 1366 N CYS A 87 -1.274 -4.746 -7.642 1.00 32.43 N ATOM 1367 CA CYS A 87 -1.670 -6.151 -7.646 1.00 1.31 C ATOM 1368 C CYS A 87 -2.726 -6.421 -6.580 1.00 24.14 C ATOM 1369 O CYS A 87 -3.443 -7.420 -6.640 1.00 24.14 O ATOM 1370 CB CYS A 87 -0.451 -7.045 -7.413 1.00 62.15 C ATOM 1371 SG CYS A 87 0.547 -7.332 -8.892 1.00 44.14 S ATOM 0 H CYS A 87 -0.291 -4.585 -7.423 1.00 32.43 H new ATOM 0 HA CYS A 87 -2.099 -6.380 -8.621 1.00 1.31 H new ATOM 0 HB2 CYS A 87 0.177 -6.592 -6.646 1.00 62.15 H new ATOM 0 HB3 CYS A 87 -0.788 -8.006 -7.023 1.00 62.15 H new ATOM 0 HG CYS A 87 0.257 -8.497 -9.392 1.00 44.14 H new ATOM 1377 N VAL A 88 -2.816 -5.525 -5.602 1.00 2.20 N ATOM 1378 CA VAL A 88 -3.783 -5.667 -4.521 1.00 51.24 C ATOM 1379 C VAL A 88 -5.098 -4.978 -4.867 1.00 75.43 C ATOM 1380 O VAL A 88 -6.175 -5.453 -4.504 1.00 41.41 O ATOM 1381 CB VAL A 88 -3.243 -5.082 -3.202 1.00 42.25 C ATOM 1382 CG1 VAL A 88 -4.322 -5.091 -2.132 1.00 14.40 C ATOM 1383 CG2 VAL A 88 -2.017 -5.855 -2.741 1.00 61.50 C ATOM 0 H VAL A 88 -2.230 -4.693 -5.537 1.00 2.20 H new ATOM 0 HA VAL A 88 -3.957 -6.735 -4.392 1.00 51.24 H new ATOM 0 HB VAL A 88 -2.948 -4.047 -3.377 1.00 42.25 H new ATOM 0 HG11 VAL A 88 -3.922 -4.674 -1.208 1.00 14.40 H new ATOM 0 HG12 VAL A 88 -5.169 -4.490 -2.464 1.00 14.40 H new ATOM 0 HG13 VAL A 88 -4.651 -6.115 -1.955 1.00 14.40 H new ATOM 0 HG21 VAL A 88 -1.648 -5.429 -1.808 1.00 61.50 H new ATOM 0 HG22 VAL A 88 -2.284 -6.900 -2.582 1.00 61.50 H new ATOM 0 HG23 VAL A 88 -1.239 -5.791 -3.502 1.00 61.50 H new ATOM 1393 N HIS A 89 -5.005 -3.856 -5.573 1.00 44.24 N ATOM 1394 CA HIS A 89 -6.188 -3.100 -5.971 1.00 73.12 C ATOM 1395 C HIS A 89 -6.878 -3.761 -7.161 1.00 13.24 C ATOM 1396 O HIS A 89 -8.104 -3.669 -7.225 1.00 42.33 O ATOM 1397 CB HIS A 89 -5.808 -1.662 -6.323 1.00 20.24 C ATOM 1398 CG HIS A 89 -5.252 -0.890 -5.165 1.00 53.44 C ATOM 1399 ND1 HIS A 89 -5.571 -1.167 -3.853 1.00 21.32 N ATOM 1400 CD2 HIS A 89 -4.393 0.156 -5.129 1.00 30.33 C ATOM 1401 CE1 HIS A 89 -4.933 -0.325 -3.059 1.00 62.11 C ATOM 1402 NE2 HIS A 89 -4.211 0.488 -3.809 1.00 44.04 N ATOM 0 H HIS A 89 -4.122 -3.449 -5.882 1.00 44.24 H new ATOM 0 HA HIS A 89 -6.881 -3.088 -5.130 1.00 73.12 H new ATOM 0 HB2 HIS A 89 -5.072 -1.675 -7.127 1.00 20.24 H new ATOM 0 HB3 HIS A 89 -6.688 -1.145 -6.705 1.00 20.24 H new ATOM 0 HD2 HIS A 89 -3.936 0.639 -5.980 1.00 30.33 H new ATOM 0 HE1 HIS A 89 -4.992 -0.305 -1.981 1.00 62.11 H new ATOM 0 HE2 HIS A 89 -3.615 1.240 -3.464 1.00 44.04 H new ATOM 1411 N GLN A 90 -6.151 -4.402 -8.070 1.00 51.41 N ATOM 1412 CA GLN A 90 -6.767 -5.047 -9.224 1.00 61.14 C ATOM 1413 C GLN A 90 -7.177 -6.478 -8.892 1.00 62.24 C ATOM 1414 O GLN A 90 -7.470 -7.273 -9.786 1.00 43.43 O ATOM 1415 CB GLN A 90 -5.805 -5.041 -10.413 1.00 20.14 C ATOM 1416 CG GLN A 90 -5.945 -3.816 -11.303 1.00 30.33 C ATOM 1417 CD GLN A 90 -7.353 -3.639 -11.833 1.00 74.14 C ATOM 1418 OE1 GLN A 90 -8.104 -4.606 -11.971 1.00 53.32 O ATOM 1419 NE2 GLN A 90 -7.721 -2.399 -12.135 1.00 34.21 N ATOM 0 H GLN A 90 -5.135 -4.489 -8.030 1.00 51.41 H new ATOM 0 HA GLN A 90 -7.662 -4.484 -9.489 1.00 61.14 H new ATOM 0 HB2 GLN A 90 -4.782 -5.095 -10.042 1.00 20.14 H new ATOM 0 HB3 GLN A 90 -5.975 -5.936 -11.012 1.00 20.14 H new ATOM 0 HG2 GLN A 90 -5.658 -2.928 -10.740 1.00 30.33 H new ATOM 0 HG3 GLN A 90 -5.253 -3.899 -12.141 1.00 30.33 H new ATOM 0 HE21 GLN A 90 -7.067 -1.627 -12.005 1.00 34.21 H new ATOM 0 HE22 GLN A 90 -8.658 -2.219 -12.497 1.00 34.21 H new ATOM 1428 N ARG A 91 -7.193 -6.801 -7.603 1.00 55.54 N ATOM 1429 CA ARG A 91 -7.565 -8.136 -7.155 1.00 73.52 C ATOM 1430 C ARG A 91 -6.632 -9.188 -7.748 1.00 21.11 C ATOM 1431 O ARG A 91 -7.043 -10.319 -8.012 1.00 53.01 O ATOM 1432 CB ARG A 91 -9.012 -8.445 -7.546 1.00 10.42 C ATOM 1433 CG ARG A 91 -10.029 -7.525 -6.889 1.00 61.43 C ATOM 1434 CD ARG A 91 -11.446 -8.049 -7.063 1.00 14.41 C ATOM 1435 NE ARG A 91 -12.422 -6.966 -7.156 1.00 1.31 N ATOM 1436 CZ ARG A 91 -13.733 -7.163 -7.248 1.00 5.11 C ATOM 1437 NH1 ARG A 91 -14.222 -8.395 -7.258 1.00 62.32 N ATOM 1438 NH2 ARG A 91 -14.556 -6.126 -7.330 1.00 21.04 N ATOM 0 H ARG A 91 -6.952 -6.155 -6.851 1.00 55.54 H new ATOM 0 HA ARG A 91 -7.475 -8.165 -6.069 1.00 73.52 H new ATOM 0 HB2 ARG A 91 -9.111 -8.369 -8.629 1.00 10.42 H new ATOM 0 HB3 ARG A 91 -9.240 -9.476 -7.277 1.00 10.42 H new ATOM 0 HG2 ARG A 91 -9.803 -7.430 -5.827 1.00 61.43 H new ATOM 0 HG3 ARG A 91 -9.953 -6.528 -7.322 1.00 61.43 H new ATOM 0 HD2 ARG A 91 -11.498 -8.662 -7.963 1.00 14.41 H new ATOM 0 HD3 ARG A 91 -11.700 -8.695 -6.222 1.00 14.41 H new ATOM 0 HE ARG A 91 -12.078 -6.006 -7.150 1.00 1.31 H new ATOM 0 HH11 ARG A 91 -13.592 -9.194 -7.195 1.00 62.32 H new ATOM 0 HH12 ARG A 91 -15.229 -8.544 -7.329 1.00 62.32 H new ATOM 0 HH21 ARG A 91 -14.183 -5.177 -7.322 1.00 21.04 H new ATOM 0 HH22 ARG A 91 -15.562 -6.278 -7.401 1.00 21.04 H new ATOM 1452 N ILE A 92 -5.376 -8.808 -7.954 1.00 11.21 N ATOM 1453 CA ILE A 92 -4.385 -9.718 -8.515 1.00 73.54 C ATOM 1454 C ILE A 92 -3.670 -10.498 -7.416 1.00 15.11 C ATOM 1455 O ILE A 92 -2.915 -9.928 -6.629 1.00 1.13 O ATOM 1456 CB ILE A 92 -3.339 -8.963 -9.357 1.00 32.34 C ATOM 1457 CG1 ILE A 92 -4.031 -8.085 -10.402 1.00 73.01 C ATOM 1458 CG2 ILE A 92 -2.389 -9.944 -10.027 1.00 34.33 C ATOM 1459 CD1 ILE A 92 -3.072 -7.248 -11.217 1.00 50.55 C ATOM 0 H ILE A 92 -5.020 -7.876 -7.741 1.00 11.21 H new ATOM 0 HA ILE A 92 -4.924 -10.413 -9.159 1.00 73.54 H new ATOM 0 HB ILE A 92 -2.758 -8.320 -8.696 1.00 32.34 H new ATOM 0 HG12 ILE A 92 -4.608 -8.720 -11.074 1.00 73.01 H new ATOM 0 HG13 ILE A 92 -4.739 -7.426 -9.900 1.00 73.01 H new ATOM 0 HG21 ILE A 92 -1.656 -9.395 -10.618 1.00 34.33 H new ATOM 0 HG22 ILE A 92 -1.875 -10.530 -9.265 1.00 34.33 H new ATOM 0 HG23 ILE A 92 -2.954 -10.611 -10.678 1.00 34.33 H new ATOM 0 HD11 ILE A 92 -3.632 -6.651 -11.937 1.00 50.55 H new ATOM 0 HD12 ILE A 92 -2.513 -6.587 -10.555 1.00 50.55 H new ATOM 0 HD13 ILE A 92 -2.379 -7.901 -11.747 1.00 50.55 H new ATOM 1471 N ASP A 93 -3.912 -11.803 -7.371 1.00 52.23 N ATOM 1472 CA ASP A 93 -3.290 -12.662 -6.371 1.00 65.21 C ATOM 1473 C ASP A 93 -1.869 -13.033 -6.783 1.00 22.33 C ATOM 1474 O ASP A 93 -1.664 -13.821 -7.706 1.00 55.34 O ATOM 1475 CB ASP A 93 -4.122 -13.929 -6.166 1.00 15.30 C ATOM 1476 CG ASP A 93 -4.488 -14.599 -7.475 1.00 70.10 C ATOM 1477 OD1 ASP A 93 -5.492 -14.185 -8.094 1.00 70.31 O ATOM 1478 OD2 ASP A 93 -3.771 -15.536 -7.882 1.00 32.23 O ATOM 0 H ASP A 93 -4.535 -12.289 -8.016 1.00 52.23 H new ATOM 0 HA ASP A 93 -3.245 -12.111 -5.432 1.00 65.21 H new ATOM 0 HB2 ASP A 93 -3.564 -14.630 -5.546 1.00 15.30 H new ATOM 0 HB3 ASP A 93 -5.033 -13.678 -5.622 1.00 15.30 H new ATOM 1483 N VAL A 94 -0.889 -12.460 -6.090 1.00 60.43 N ATOM 1484 CA VAL A 94 0.514 -12.732 -6.384 1.00 15.43 C ATOM 1485 C VAL A 94 1.117 -13.681 -5.355 1.00 42.12 C ATOM 1486 O VAL A 94 0.543 -13.905 -4.289 1.00 63.40 O ATOM 1487 CB VAL A 94 1.341 -11.433 -6.416 1.00 4.52 C ATOM 1488 CG1 VAL A 94 0.687 -10.404 -7.325 1.00 21.40 C ATOM 1489 CG2 VAL A 94 1.516 -10.879 -5.009 1.00 43.35 C ATOM 0 H VAL A 94 -1.040 -11.806 -5.322 1.00 60.43 H new ATOM 0 HA VAL A 94 0.547 -13.200 -7.368 1.00 15.43 H new ATOM 0 HB VAL A 94 2.328 -11.661 -6.818 1.00 4.52 H new ATOM 0 HG11 VAL A 94 1.286 -9.494 -7.334 1.00 21.40 H new ATOM 0 HG12 VAL A 94 0.619 -10.804 -8.337 1.00 21.40 H new ATOM 0 HG13 VAL A 94 -0.313 -10.176 -6.956 1.00 21.40 H new ATOM 0 HG21 VAL A 94 2.103 -9.961 -5.050 1.00 43.35 H new ATOM 0 HG22 VAL A 94 0.538 -10.666 -4.578 1.00 43.35 H new ATOM 0 HG23 VAL A 94 2.033 -11.613 -4.391 1.00 43.35 H new ATOM 1499 N LYS A 95 2.279 -14.236 -5.681 1.00 31.01 N ATOM 1500 CA LYS A 95 2.963 -15.161 -4.786 1.00 4.55 C ATOM 1501 C LYS A 95 4.116 -14.468 -4.064 1.00 72.13 C ATOM 1502 O LYS A 95 4.664 -14.999 -3.099 1.00 2.15 O ATOM 1503 CB LYS A 95 3.489 -16.366 -5.567 1.00 63.33 C ATOM 1504 CG LYS A 95 2.393 -17.288 -6.073 1.00 64.23 C ATOM 1505 CD LYS A 95 1.969 -18.287 -5.010 1.00 2.25 C ATOM 1506 CE LYS A 95 0.535 -18.049 -4.562 1.00 21.32 C ATOM 1507 NZ LYS A 95 -0.448 -18.542 -5.567 1.00 33.14 N ATOM 0 H LYS A 95 2.767 -14.061 -6.559 1.00 31.01 H new ATOM 0 HA LYS A 95 2.244 -15.504 -4.042 1.00 4.55 H new ATOM 0 HB2 LYS A 95 4.074 -16.011 -6.415 1.00 63.33 H new ATOM 0 HB3 LYS A 95 4.165 -16.935 -4.929 1.00 63.33 H new ATOM 0 HG2 LYS A 95 1.531 -16.696 -6.381 1.00 64.23 H new ATOM 0 HG3 LYS A 95 2.745 -17.822 -6.956 1.00 64.23 H new ATOM 0 HD2 LYS A 95 2.066 -19.300 -5.402 1.00 2.25 H new ATOM 0 HD3 LYS A 95 2.637 -18.212 -4.152 1.00 2.25 H new ATOM 0 HE2 LYS A 95 0.364 -18.551 -3.610 1.00 21.32 H new ATOM 0 HE3 LYS A 95 0.379 -16.983 -4.393 1.00 21.32 H new ATOM 0 HZ1 LYS A 95 -1.414 -18.362 -5.225 1.00 33.14 H new ATOM 0 HZ2 LYS A 95 -0.301 -18.045 -6.469 1.00 33.14 H new ATOM 0 HZ3 LYS A 95 -0.316 -19.564 -5.709 1.00 33.14 H new ATOM 1521 N ASP A 96 4.476 -13.281 -4.538 1.00 53.15 N ATOM 1522 CA ASP A 96 5.561 -12.514 -3.937 1.00 55.22 C ATOM 1523 C ASP A 96 5.759 -11.189 -4.666 1.00 34.12 C ATOM 1524 O ASP A 96 5.113 -10.923 -5.681 1.00 44.21 O ATOM 1525 CB ASP A 96 6.858 -13.322 -3.960 1.00 64.35 C ATOM 1526 CG ASP A 96 6.951 -14.234 -5.168 1.00 64.24 C ATOM 1527 OD1 ASP A 96 6.981 -13.714 -6.303 1.00 63.32 O ATOM 1528 OD2 ASP A 96 6.994 -15.468 -4.978 1.00 1.15 O ATOM 0 H ASP A 96 4.032 -12.828 -5.337 1.00 53.15 H new ATOM 0 HA ASP A 96 5.293 -12.301 -2.902 1.00 55.22 H new ATOM 0 HB2 ASP A 96 7.708 -12.639 -3.957 1.00 64.35 H new ATOM 0 HB3 ASP A 96 6.926 -13.920 -3.051 1.00 64.35 H new ATOM 1533 N THR A 97 6.654 -10.359 -4.142 1.00 25.21 N ATOM 1534 CA THR A 97 6.936 -9.061 -4.741 1.00 4.54 C ATOM 1535 C THR A 97 7.557 -9.216 -6.124 1.00 72.13 C ATOM 1536 O THR A 97 7.804 -8.231 -6.820 1.00 24.30 O ATOM 1537 CB THR A 97 7.884 -8.227 -3.857 1.00 20.22 C ATOM 1538 OG1 THR A 97 7.385 -8.178 -2.516 1.00 14.42 O ATOM 1539 CG2 THR A 97 8.030 -6.814 -4.402 1.00 24.51 C ATOM 0 H THR A 97 7.197 -10.563 -3.303 1.00 25.21 H new ATOM 0 HA THR A 97 5.982 -8.541 -4.830 1.00 4.54 H new ATOM 0 HB THR A 97 8.864 -8.704 -3.863 1.00 20.22 H new ATOM 0 HG1 THR A 97 7.111 -7.262 -2.302 1.00 14.42 H new ATOM 0 HG21 THR A 97 8.704 -6.245 -3.761 1.00 24.51 H new ATOM 0 HG22 THR A 97 8.437 -6.854 -5.412 1.00 24.51 H new ATOM 0 HG23 THR A 97 7.054 -6.330 -4.423 1.00 24.51 H new ATOM 1547 N LYS A 98 7.807 -10.460 -6.519 1.00 74.13 N ATOM 1548 CA LYS A 98 8.397 -10.746 -7.822 1.00 34.13 C ATOM 1549 C LYS A 98 7.314 -10.947 -8.877 1.00 13.33 C ATOM 1550 O LYS A 98 7.250 -10.210 -9.860 1.00 32.11 O ATOM 1551 CB LYS A 98 9.282 -11.992 -7.740 1.00 32.42 C ATOM 1552 CG LYS A 98 10.615 -11.839 -8.453 1.00 74.02 C ATOM 1553 CD LYS A 98 10.435 -11.769 -9.960 1.00 1.10 C ATOM 1554 CE LYS A 98 11.563 -12.483 -10.689 1.00 61.43 C ATOM 1555 NZ LYS A 98 11.285 -12.618 -12.146 1.00 52.31 N ATOM 0 H LYS A 98 7.610 -11.287 -5.955 1.00 74.13 H new ATOM 0 HA LYS A 98 9.008 -9.892 -8.113 1.00 34.13 H new ATOM 0 HB2 LYS A 98 9.465 -12.229 -6.692 1.00 32.42 H new ATOM 0 HB3 LYS A 98 8.745 -12.838 -8.169 1.00 32.42 H new ATOM 0 HG2 LYS A 98 11.115 -10.936 -8.103 1.00 74.02 H new ATOM 0 HG3 LYS A 98 11.262 -12.679 -8.201 1.00 74.02 H new ATOM 0 HD2 LYS A 98 9.481 -12.218 -10.235 1.00 1.10 H new ATOM 0 HD3 LYS A 98 10.399 -10.726 -10.275 1.00 1.10 H new ATOM 0 HE2 LYS A 98 12.493 -11.933 -10.546 1.00 61.43 H new ATOM 0 HE3 LYS A 98 11.708 -13.472 -10.254 1.00 61.43 H new ATOM 0 HZ1 LYS A 98 12.077 -13.110 -12.606 1.00 52.31 H new ATOM 0 HZ2 LYS A 98 10.411 -13.165 -12.283 1.00 52.31 H new ATOM 0 HZ3 LYS A 98 11.172 -11.674 -12.567 1.00 52.31 H new ATOM 1569 N GLU A 99 6.465 -11.949 -8.666 1.00 3.11 N ATOM 1570 CA GLU A 99 5.386 -12.244 -9.600 1.00 14.22 C ATOM 1571 C GLU A 99 4.470 -11.035 -9.772 1.00 65.43 C ATOM 1572 O GLU A 99 3.721 -10.945 -10.745 1.00 12.13 O ATOM 1573 CB GLU A 99 4.575 -13.447 -9.113 1.00 1.13 C ATOM 1574 CG GLU A 99 3.537 -13.927 -10.114 1.00 31.14 C ATOM 1575 CD GLU A 99 3.777 -15.355 -10.563 1.00 62.33 C ATOM 1576 OE1 GLU A 99 4.513 -15.550 -11.553 1.00 40.20 O ATOM 1577 OE2 GLU A 99 3.229 -16.277 -9.925 1.00 74.21 O ATOM 0 H GLU A 99 6.504 -12.569 -7.857 1.00 3.11 H new ATOM 0 HA GLU A 99 5.831 -12.482 -10.566 1.00 14.22 H new ATOM 0 HB2 GLU A 99 5.257 -14.267 -8.888 1.00 1.13 H new ATOM 0 HB3 GLU A 99 4.074 -13.184 -8.181 1.00 1.13 H new ATOM 0 HG2 GLU A 99 2.545 -13.852 -9.668 1.00 31.14 H new ATOM 0 HG3 GLU A 99 3.545 -13.270 -10.984 1.00 31.14 H new ATOM 1584 N ALA A 100 4.536 -10.110 -8.821 1.00 43.31 N ATOM 1585 CA ALA A 100 3.715 -8.907 -8.868 1.00 71.02 C ATOM 1586 C ALA A 100 4.300 -7.880 -9.831 1.00 11.21 C ATOM 1587 O ALA A 100 3.595 -7.343 -10.687 1.00 43.13 O ATOM 1588 CB ALA A 100 3.575 -8.308 -7.476 1.00 72.33 C ATOM 0 H ALA A 100 5.150 -10.171 -8.008 1.00 43.31 H new ATOM 0 HA ALA A 100 2.726 -9.186 -9.232 1.00 71.02 H new ATOM 0 HB1 ALA A 100 2.959 -7.410 -7.527 1.00 72.33 H new ATOM 0 HB2 ALA A 100 3.104 -9.034 -6.813 1.00 72.33 H new ATOM 0 HB3 ALA A 100 4.561 -8.050 -7.090 1.00 72.33 H new ATOM 1594 N LEU A 101 5.592 -7.609 -9.686 1.00 65.11 N ATOM 1595 CA LEU A 101 6.274 -6.644 -10.543 1.00 32.35 C ATOM 1596 C LEU A 101 6.138 -7.031 -12.012 1.00 50.52 C ATOM 1597 O LEU A 101 5.916 -6.176 -12.870 1.00 73.22 O ATOM 1598 CB LEU A 101 7.752 -6.551 -10.163 1.00 42.30 C ATOM 1599 CG LEU A 101 8.430 -5.206 -10.431 1.00 43.14 C ATOM 1600 CD1 LEU A 101 8.254 -4.800 -11.887 1.00 31.31 C ATOM 1601 CD2 LEU A 101 7.873 -4.134 -9.506 1.00 63.21 C ATOM 0 H LEU A 101 6.189 -8.044 -8.983 1.00 65.11 H new ATOM 0 HA LEU A 101 5.806 -5.670 -10.398 1.00 32.35 H new ATOM 0 HB2 LEU A 101 7.849 -6.779 -9.102 1.00 42.30 H new ATOM 0 HB3 LEU A 101 8.296 -7.324 -10.706 1.00 42.30 H new ATOM 0 HG LEU A 101 9.496 -5.312 -10.231 1.00 43.14 H new ATOM 0 HD11 LEU A 101 8.743 -3.841 -12.059 1.00 31.31 H new ATOM 0 HD12 LEU A 101 8.701 -5.556 -12.532 1.00 31.31 H new ATOM 0 HD13 LEU A 101 7.192 -4.712 -12.114 1.00 31.31 H new ATOM 0 HD21 LEU A 101 8.367 -3.184 -9.711 1.00 63.21 H new ATOM 0 HD22 LEU A 101 6.801 -4.029 -9.674 1.00 63.21 H new ATOM 0 HD23 LEU A 101 8.051 -4.419 -8.469 1.00 63.21 H new ATOM 1613 N ASP A 102 6.270 -8.322 -12.294 1.00 15.10 N ATOM 1614 CA ASP A 102 6.159 -8.822 -13.660 1.00 15.15 C ATOM 1615 C ASP A 102 4.747 -8.613 -14.202 1.00 5.53 C ATOM 1616 O ASP A 102 4.566 -8.207 -15.350 1.00 12.33 O ATOM 1617 CB ASP A 102 6.523 -10.306 -13.713 1.00 53.13 C ATOM 1618 CG ASP A 102 7.930 -10.538 -14.227 1.00 4.23 C ATOM 1619 OD1 ASP A 102 8.882 -10.406 -13.429 1.00 24.40 O ATOM 1620 OD2 ASP A 102 8.081 -10.850 -15.427 1.00 61.25 O ATOM 0 H ASP A 102 6.454 -9.042 -11.595 1.00 15.10 H new ATOM 0 HA ASP A 102 6.856 -8.262 -14.284 1.00 15.15 H new ATOM 0 HB2 ASP A 102 6.428 -10.736 -12.716 1.00 53.13 H new ATOM 0 HB3 ASP A 102 5.814 -10.829 -14.355 1.00 53.13 H new