USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=17 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 156:sc= 1.18 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 97 THR OG1 : rot 94:sc= 2.33 USER MOD Set 2.1: A 57 CYS SG : rot -10:sc= 0.67 USER MOD Set 2.2: A 89 HIS : no HD1:sc= -0.79 K(o=-0.12,f=-4.9!) USER MOD Set 3.1: A 54 SER OG : rot 180:sc= 0.0981 USER MOD Set 3.2: A 90 GLN : amide:sc= -0.416 X(o=-0.32,f=-0.54) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000306) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.119) USER MOD Single : A 28 GLN : amide:sc= -0.0588 K(o=-0.059,f=-1.8) 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= 0.928 K(o=0.93,f=-6!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.24) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.478 USER MOD Single : A 59 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.5!) USER MOD Single : A 63 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.2!) USER MOD Single : A 65 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.031) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.106 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.3) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 121:sc= 0.17 USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= -0.0745 (180deg=-0.44) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N LEU A 13 -6.659 -5.099 2.990 1.00 23.20 N ATOM 139 CA LEU A 13 -5.667 -5.020 4.056 1.00 11.15 C ATOM 140 C LEU A 13 -5.178 -6.411 4.449 1.00 54.45 C ATOM 141 O LEU A 13 -3.984 -6.623 4.659 1.00 74.04 O ATOM 142 CB LEU A 13 -6.255 -4.309 5.276 1.00 61.44 C ATOM 143 CG LEU A 13 -5.254 -3.590 6.181 1.00 12.21 C ATOM 144 CD1 LEU A 13 -5.980 -2.818 7.272 1.00 21.22 C ATOM 145 CD2 LEU A 13 -4.275 -4.584 6.789 1.00 43.14 C ATOM 0 HA LEU A 13 -4.817 -4.448 3.686 1.00 11.15 H new ATOM 0 HB2 LEU A 13 -6.988 -3.581 4.929 1.00 61.44 H new ATOM 0 HB3 LEU A 13 -6.794 -5.043 5.875 1.00 61.44 H new ATOM 0 HG LEU A 13 -4.690 -2.880 5.576 1.00 12.21 H new ATOM 0 HD11 LEU A 13 -5.252 -2.313 7.906 1.00 21.22 H new ATOM 0 HD12 LEU A 13 -6.640 -2.079 6.817 1.00 21.22 H new ATOM 0 HD13 LEU A 13 -6.570 -3.508 7.875 1.00 21.22 H new ATOM 0 HD21 LEU A 13 -3.570 -4.055 7.430 1.00 43.14 H new ATOM 0 HD22 LEU A 13 -4.822 -5.318 7.380 1.00 43.14 H new ATOM 0 HD23 LEU A 13 -3.731 -5.092 5.993 1.00 43.14 H new ATOM 157 N ASP A 14 -6.109 -7.353 4.545 1.00 61.15 N ATOM 158 CA ASP A 14 -5.773 -8.725 4.910 1.00 72.42 C ATOM 159 C ASP A 14 -4.825 -9.342 3.886 1.00 30.50 C ATOM 160 O ASP A 14 -3.850 -10.003 4.246 1.00 33.22 O ATOM 161 CB ASP A 14 -7.042 -9.570 5.023 1.00 63.44 C ATOM 162 CG ASP A 14 -7.217 -10.168 6.405 1.00 64.43 C ATOM 163 OD1 ASP A 14 -7.327 -9.393 7.378 1.00 21.44 O ATOM 164 OD2 ASP A 14 -7.245 -11.413 6.515 1.00 14.14 O ATOM 0 H ASP A 14 -7.102 -7.193 4.375 1.00 61.15 H new ATOM 0 HA ASP A 14 -5.272 -8.706 5.878 1.00 72.42 H new ATOM 0 HB2 ASP A 14 -7.908 -8.953 4.785 1.00 63.44 H new ATOM 0 HB3 ASP A 14 -7.009 -10.371 4.285 1.00 63.44 H new ATOM 169 N LYS A 15 -5.119 -9.126 2.609 1.00 22.13 N ATOM 170 CA LYS A 15 -4.294 -9.660 1.532 1.00 40.12 C ATOM 171 C LYS A 15 -2.927 -8.984 1.507 1.00 71.25 C ATOM 172 O LYS A 15 -1.916 -9.618 1.204 1.00 33.35 O ATOM 173 CB LYS A 15 -4.993 -9.470 0.184 1.00 22.33 C ATOM 174 CG LYS A 15 -5.450 -10.771 -0.453 1.00 31.20 C ATOM 175 CD LYS A 15 -4.364 -11.377 -1.325 1.00 31.33 C ATOM 176 CE LYS A 15 -4.280 -12.885 -1.146 1.00 40.25 C ATOM 177 NZ LYS A 15 -3.131 -13.470 -1.890 1.00 55.42 N ATOM 0 H LYS A 15 -5.924 -8.584 2.294 1.00 22.13 H new ATOM 0 HA LYS A 15 -4.150 -10.725 1.713 1.00 40.12 H new ATOM 0 HB2 LYS A 15 -5.857 -8.819 0.321 1.00 22.33 H new ATOM 0 HB3 LYS A 15 -4.314 -8.960 -0.499 1.00 22.33 H new ATOM 0 HG2 LYS A 15 -5.730 -11.480 0.326 1.00 31.20 H new ATOM 0 HG3 LYS A 15 -6.341 -10.590 -1.054 1.00 31.20 H new ATOM 0 HD2 LYS A 15 -4.564 -11.145 -2.371 1.00 31.33 H new ATOM 0 HD3 LYS A 15 -3.403 -10.926 -1.077 1.00 31.33 H new ATOM 0 HE2 LYS A 15 -4.183 -13.120 -0.086 1.00 40.25 H new ATOM 0 HE3 LYS A 15 -5.207 -13.344 -1.491 1.00 40.25 H new ATOM 0 HZ1 LYS A 15 -3.109 -14.499 -1.742 1.00 55.42 H new ATOM 0 HZ2 LYS A 15 -3.236 -13.268 -2.905 1.00 55.42 H new ATOM 0 HZ3 LYS A 15 -2.244 -13.052 -1.544 1.00 55.42 H new ATOM 191 N TRP A 16 -2.903 -7.697 1.830 1.00 11.10 N ATOM 192 CA TRP A 16 -1.658 -6.936 1.846 1.00 22.01 C ATOM 193 C TRP A 16 -0.635 -7.585 2.772 1.00 43.11 C ATOM 194 O TRP A 16 0.555 -7.625 2.464 1.00 22.32 O ATOM 195 CB TRP A 16 -1.923 -5.496 2.287 1.00 42.22 C ATOM 196 CG TRP A 16 -0.675 -4.675 2.417 1.00 60.41 C ATOM 197 CD1 TRP A 16 0.004 -4.395 3.569 1.00 13.11 C ATOM 198 CD2 TRP A 16 0.041 -4.029 1.359 1.00 44.43 C ATOM 199 NE1 TRP A 16 1.100 -3.613 3.289 1.00 42.22 N ATOM 200 CE2 TRP A 16 1.144 -3.375 1.941 1.00 11.32 C ATOM 201 CE3 TRP A 16 -0.143 -3.940 -0.023 1.00 20.34 C ATOM 202 CZ2 TRP A 16 2.058 -2.643 1.187 1.00 24.03 C ATOM 203 CZ3 TRP A 16 0.765 -3.213 -0.770 1.00 64.12 C ATOM 204 CH2 TRP A 16 1.854 -2.573 -0.164 1.00 12.04 C ATOM 0 H TRP A 16 -3.730 -7.158 2.084 1.00 11.10 H new ATOM 0 HA TRP A 16 -1.251 -6.930 0.835 1.00 22.01 H new ATOM 0 HB2 TRP A 16 -2.589 -5.020 1.567 1.00 42.22 H new ATOM 0 HB3 TRP A 16 -2.444 -5.507 3.245 1.00 42.22 H new ATOM 0 HD1 TRP A 16 -0.278 -4.737 4.554 1.00 13.11 H new ATOM 0 HE1 TRP A 16 1.771 -3.266 3.974 1.00 42.22 H new ATOM 0 HE3 TRP A 16 -0.979 -4.430 -0.499 1.00 20.34 H new ATOM 0 HZ2 TRP A 16 2.898 -2.148 1.652 1.00 24.03 H new ATOM 0 HZ3 TRP A 16 0.633 -3.137 -1.839 1.00 64.12 H new ATOM 0 HH2 TRP A 16 2.546 -2.013 -0.775 1.00 12.04 H new ATOM 215 N GLU A 17 -1.108 -8.090 3.907 1.00 30.02 N ATOM 216 CA GLU A 17 -0.233 -8.736 4.878 1.00 60.12 C ATOM 217 C GLU A 17 0.025 -10.190 4.495 1.00 21.30 C ATOM 218 O GLU A 17 0.894 -10.850 5.065 1.00 62.53 O ATOM 219 CB GLU A 17 -0.847 -8.667 6.277 1.00 61.42 C ATOM 220 CG GLU A 17 -0.583 -7.353 6.994 1.00 23.44 C ATOM 221 CD GLU A 17 -0.775 -7.458 8.494 1.00 60.55 C ATOM 222 OE1 GLU A 17 -1.516 -8.361 8.937 1.00 21.22 O ATOM 223 OE2 GLU A 17 -0.183 -6.638 9.227 1.00 71.21 O ATOM 0 H GLU A 17 -2.091 -8.064 4.176 1.00 30.02 H new ATOM 0 HA GLU A 17 0.719 -8.205 4.881 1.00 60.12 H new ATOM 0 HB2 GLU A 17 -1.924 -8.819 6.200 1.00 61.42 H new ATOM 0 HB3 GLU A 17 -0.452 -9.485 6.879 1.00 61.42 H new ATOM 0 HG2 GLU A 17 0.436 -7.027 6.784 1.00 23.44 H new ATOM 0 HG3 GLU A 17 -1.251 -6.587 6.599 1.00 23.44 H new ATOM 230 N LYS A 18 -0.737 -10.684 3.525 1.00 30.44 N ATOM 231 CA LYS A 18 -0.592 -12.059 3.063 1.00 64.30 C ATOM 232 C LYS A 18 0.414 -12.147 1.920 1.00 21.13 C ATOM 233 O LYS A 18 0.827 -13.238 1.527 1.00 23.45 O ATOM 234 CB LYS A 18 -1.946 -12.612 2.609 1.00 32.34 C ATOM 235 CG LYS A 18 -2.141 -14.083 2.929 1.00 73.21 C ATOM 236 CD LYS A 18 -1.880 -14.958 1.715 1.00 32.25 C ATOM 237 CE LYS A 18 -2.297 -16.400 1.966 1.00 5.31 C ATOM 238 NZ LYS A 18 -1.461 -17.045 3.014 1.00 43.32 N ATOM 0 H LYS A 18 -1.462 -10.152 3.043 1.00 30.44 H new ATOM 0 HA LYS A 18 -0.222 -12.658 3.895 1.00 64.30 H new ATOM 0 HB2 LYS A 18 -2.741 -12.037 3.084 1.00 32.34 H new ATOM 0 HB3 LYS A 18 -2.046 -12.467 1.533 1.00 32.34 H new ATOM 0 HG2 LYS A 18 -1.470 -14.372 3.738 1.00 73.21 H new ATOM 0 HG3 LYS A 18 -3.158 -14.247 3.285 1.00 73.21 H new ATOM 0 HD2 LYS A 18 -2.426 -14.564 0.858 1.00 32.25 H new ATOM 0 HD3 LYS A 18 -0.820 -14.924 1.462 1.00 32.25 H new ATOM 0 HE2 LYS A 18 -3.344 -16.428 2.269 1.00 5.31 H new ATOM 0 HE3 LYS A 18 -2.218 -16.967 1.039 1.00 5.31 H new ATOM 0 HZ1 LYS A 18 -1.766 -18.031 3.143 1.00 43.32 H new ATOM 0 HZ2 LYS A 18 -0.463 -17.026 2.722 1.00 43.32 H new ATOM 0 HZ3 LYS A 18 -1.569 -16.529 3.911 1.00 43.32 H new ATOM 252 N ILE A 19 0.804 -10.992 1.392 1.00 50.20 N ATOM 253 CA ILE A 19 1.764 -10.939 0.296 1.00 22.14 C ATOM 254 C ILE A 19 3.196 -10.991 0.816 1.00 30.21 C ATOM 255 O ILE A 19 3.542 -10.311 1.782 1.00 45.14 O ATOM 256 CB ILE A 19 1.583 -9.665 -0.550 1.00 24.43 C ATOM 257 CG1 ILE A 19 0.169 -9.610 -1.132 1.00 23.11 C ATOM 258 CG2 ILE A 19 2.621 -9.616 -1.661 1.00 4.43 C ATOM 259 CD1 ILE A 19 -0.388 -8.208 -1.237 1.00 50.44 C ATOM 0 H ILE A 19 0.470 -10.080 1.705 1.00 50.20 H new ATOM 0 HA ILE A 19 1.576 -11.811 -0.330 1.00 22.14 H new ATOM 0 HB ILE A 19 1.725 -8.796 0.093 1.00 24.43 H new ATOM 0 HG12 ILE A 19 0.175 -10.065 -2.123 1.00 23.11 H new ATOM 0 HG13 ILE A 19 -0.495 -10.210 -0.510 1.00 23.11 H new ATOM 0 HG21 ILE A 19 2.480 -8.710 -2.251 1.00 4.43 H new ATOM 0 HG22 ILE A 19 3.620 -9.614 -1.226 1.00 4.43 H new ATOM 0 HG23 ILE A 19 2.507 -10.489 -2.304 1.00 4.43 H new ATOM 0 HD11 ILE A 19 -1.393 -8.246 -1.658 1.00 50.44 H new ATOM 0 HD12 ILE A 19 -0.427 -7.757 -0.246 1.00 50.44 H new ATOM 0 HD13 ILE A 19 0.253 -7.609 -1.884 1.00 50.44 H new ATOM 271 N ARG A 20 4.027 -11.801 0.168 1.00 13.43 N ATOM 272 CA ARG A 20 5.423 -11.940 0.565 1.00 22.24 C ATOM 273 C ARG A 20 6.266 -10.803 -0.003 1.00 33.13 C ATOM 274 O ARG A 20 5.789 -10.006 -0.812 1.00 24.00 O ATOM 275 CB ARG A 20 5.978 -13.286 0.093 1.00 2.33 C ATOM 276 CG ARG A 20 5.537 -14.461 0.950 1.00 41.23 C ATOM 277 CD ARG A 20 5.736 -15.784 0.227 1.00 41.31 C ATOM 278 NE ARG A 20 5.494 -16.928 1.102 1.00 3.13 N ATOM 279 CZ ARG A 20 5.786 -18.180 0.771 1.00 74.31 C ATOM 280 NH1 ARG A 20 6.330 -18.449 -0.408 1.00 52.22 N ATOM 281 NH2 ARG A 20 5.536 -19.168 1.622 1.00 74.10 N ATOM 0 H ARG A 20 3.758 -12.371 -0.634 1.00 13.43 H new ATOM 0 HA ARG A 20 5.471 -11.896 1.653 1.00 22.24 H new ATOM 0 HB2 ARG A 20 5.662 -13.459 -0.936 1.00 2.33 H new ATOM 0 HB3 ARG A 20 7.067 -13.239 0.089 1.00 2.33 H new ATOM 0 HG2 ARG A 20 6.103 -14.466 1.882 1.00 41.23 H new ATOM 0 HG3 ARG A 20 4.486 -14.345 1.216 1.00 41.23 H new ATOM 0 HD2 ARG A 20 5.063 -15.834 -0.629 1.00 41.31 H new ATOM 0 HD3 ARG A 20 6.753 -15.835 -0.163 1.00 41.31 H new ATOM 0 HE ARG A 20 5.078 -16.756 2.017 1.00 3.13 H new ATOM 0 HH11 ARG A 20 6.525 -17.693 -1.064 1.00 52.22 H new ATOM 0 HH12 ARG A 20 6.553 -19.412 -0.659 1.00 52.22 H new ATOM 0 HH21 ARG A 20 5.119 -18.965 2.531 1.00 74.10 H new ATOM 0 HH22 ARG A 20 5.761 -20.130 1.367 1.00 74.10 H new ATOM 295 N LEU A 21 7.522 -10.733 0.424 1.00 43.24 N ATOM 296 CA LEU A 21 8.432 -9.693 -0.041 1.00 71.24 C ATOM 297 C LEU A 21 9.380 -10.235 -1.106 1.00 74.41 C ATOM 298 O LEU A 21 9.655 -9.570 -2.104 1.00 2.52 O ATOM 299 CB LEU A 21 9.235 -9.128 1.133 1.00 11.45 C ATOM 300 CG LEU A 21 8.459 -8.905 2.431 1.00 14.20 C ATOM 301 CD1 LEU A 21 9.339 -8.225 3.468 1.00 71.03 C ATOM 302 CD2 LEU A 21 7.207 -8.080 2.168 1.00 61.03 C ATOM 0 H LEU A 21 7.933 -11.385 1.092 1.00 43.24 H new ATOM 0 HA LEU A 21 7.836 -8.895 -0.484 1.00 71.24 H new ATOM 0 HB2 LEU A 21 10.063 -9.806 1.340 1.00 11.45 H new ATOM 0 HB3 LEU A 21 9.670 -8.177 0.825 1.00 11.45 H new ATOM 0 HG LEU A 21 8.155 -9.876 2.822 1.00 14.20 H new ATOM 0 HD11 LEU A 21 8.770 -8.074 4.385 1.00 71.03 H new ATOM 0 HD12 LEU A 21 10.206 -8.852 3.677 1.00 71.03 H new ATOM 0 HD13 LEU A 21 9.673 -7.260 3.086 1.00 71.03 H new ATOM 0 HD21 LEU A 21 6.667 -7.931 3.103 1.00 61.03 H new ATOM 0 HD22 LEU A 21 7.489 -7.112 1.754 1.00 61.03 H new ATOM 0 HD23 LEU A 21 6.567 -8.605 1.459 1.00 61.03 H new ATOM 314 N ARG A 22 9.875 -11.449 -0.887 1.00 35.11 N ATOM 315 CA ARG A 22 10.792 -12.081 -1.828 1.00 63.41 C ATOM 316 C ARG A 22 10.109 -13.233 -2.561 1.00 12.22 C ATOM 317 O ARG A 22 9.023 -13.679 -2.192 1.00 71.00 O ATOM 318 CB ARG A 22 12.034 -12.594 -1.097 1.00 74.51 C ATOM 319 CG ARG A 22 13.255 -11.707 -1.276 1.00 20.22 C ATOM 320 CD ARG A 22 14.543 -12.470 -1.003 1.00 63.45 C ATOM 321 NE ARG A 22 15.670 -11.931 -1.759 1.00 44.33 N ATOM 322 CZ ARG A 22 16.239 -10.760 -1.495 1.00 71.21 C ATOM 323 NH1 ARG A 22 15.790 -10.011 -0.498 1.00 43.42 N ATOM 324 NH2 ARG A 22 17.261 -10.338 -2.228 1.00 41.33 N ATOM 0 H ARG A 22 9.656 -12.014 -0.067 1.00 35.11 H new ATOM 0 HA ARG A 22 11.093 -11.333 -2.561 1.00 63.41 H new ATOM 0 HB2 ARG A 22 11.810 -12.679 -0.034 1.00 74.51 H new ATOM 0 HB3 ARG A 22 12.268 -13.597 -1.455 1.00 74.51 H new ATOM 0 HG2 ARG A 22 13.273 -11.312 -2.292 1.00 20.22 H new ATOM 0 HG3 ARG A 22 13.187 -10.853 -0.603 1.00 20.22 H new ATOM 0 HD2 ARG A 22 14.769 -12.430 0.063 1.00 63.45 H new ATOM 0 HD3 ARG A 22 14.403 -13.520 -1.260 1.00 63.45 H new ATOM 0 HE ARG A 22 16.041 -12.484 -2.532 1.00 44.33 H new ATOM 0 HH11 ARG A 22 15.006 -10.333 0.069 1.00 43.42 H new ATOM 0 HH12 ARG A 22 16.229 -9.112 -0.298 1.00 43.42 H new ATOM 0 HH21 ARG A 22 17.610 -10.913 -2.995 1.00 41.33 H new ATOM 0 HH22 ARG A 22 17.697 -9.439 -2.025 1.00 41.33 H new ATOM 338 N PRO A 23 10.759 -13.724 -3.627 1.00 42.20 N ATOM 339 CA PRO A 23 10.233 -14.828 -4.435 1.00 64.02 C ATOM 340 C PRO A 23 10.255 -16.157 -3.686 1.00 51.20 C ATOM 341 O PRO A 23 9.247 -16.857 -3.615 1.00 43.00 O ATOM 342 CB PRO A 23 11.184 -14.874 -5.634 1.00 62.54 C ATOM 343 CG PRO A 23 12.455 -14.283 -5.132 1.00 43.22 C ATOM 344 CD PRO A 23 12.057 -13.240 -4.125 1.00 74.01 C ATOM 0 HA PRO A 23 9.189 -14.673 -4.707 1.00 64.02 H new ATOM 0 HB2 PRO A 23 11.333 -15.896 -5.982 1.00 62.54 H new ATOM 0 HB3 PRO A 23 10.788 -14.305 -6.475 1.00 62.54 H new ATOM 0 HG2 PRO A 23 13.086 -15.045 -4.676 1.00 43.22 H new ATOM 0 HG3 PRO A 23 13.028 -13.840 -5.947 1.00 43.22 H new ATOM 0 HD2 PRO A 23 12.790 -13.156 -3.322 1.00 74.01 H new ATOM 0 HD3 PRO A 23 11.970 -12.254 -4.581 1.00 74.01 H new ATOM 352 N GLY A 24 11.412 -16.496 -3.127 1.00 54.02 N ATOM 353 CA GLY A 24 11.544 -17.739 -2.389 1.00 22.40 C ATOM 354 C GLY A 24 11.738 -17.514 -0.903 1.00 35.41 C ATOM 355 O GLY A 24 12.368 -18.324 -0.223 1.00 53.15 O ATOM 0 H GLY A 24 12.261 -15.932 -3.172 1.00 54.02 H new ATOM 0 HA2 GLY A 24 10.654 -18.348 -2.548 1.00 22.40 H new ATOM 0 HA3 GLY A 24 12.390 -18.303 -2.781 1.00 22.40 H new ATOM 359 N GLY A 25 11.198 -16.410 -0.397 1.00 0.53 N ATOM 360 CA GLY A 25 11.328 -16.100 1.014 1.00 42.11 C ATOM 361 C GLY A 25 10.089 -16.468 1.806 1.00 22.51 C ATOM 362 O GLY A 25 9.197 -17.148 1.297 1.00 1.20 O ATOM 0 H GLY A 25 10.673 -15.724 -0.940 1.00 0.53 H new ATOM 0 HA2 GLY A 25 12.187 -16.632 1.422 1.00 42.11 H new ATOM 0 HA3 GLY A 25 11.527 -15.035 1.132 1.00 42.11 H new ATOM 366 N LYS A 26 10.031 -16.020 3.055 1.00 63.00 N ATOM 367 CA LYS A 26 8.892 -16.306 3.919 1.00 73.35 C ATOM 368 C LYS A 26 8.373 -15.030 4.575 1.00 71.44 C ATOM 369 O LYS A 26 7.393 -15.058 5.320 1.00 63.31 O ATOM 370 CB LYS A 26 9.285 -17.321 4.995 1.00 33.52 C ATOM 371 CG LYS A 26 8.426 -18.575 4.992 1.00 13.53 C ATOM 372 CD LYS A 26 9.253 -19.818 5.274 1.00 0.21 C ATOM 373 CE LYS A 26 9.996 -20.286 4.032 1.00 74.32 C ATOM 374 NZ LYS A 26 10.011 -21.771 3.922 1.00 23.12 N ATOM 0 H LYS A 26 10.760 -15.457 3.492 1.00 63.00 H new ATOM 0 HA LYS A 26 8.097 -16.727 3.303 1.00 73.35 H new ATOM 0 HB2 LYS A 26 10.328 -17.605 4.851 1.00 33.52 H new ATOM 0 HB3 LYS A 26 9.216 -16.846 5.973 1.00 33.52 H new ATOM 0 HG2 LYS A 26 7.641 -18.481 5.742 1.00 13.53 H new ATOM 0 HG3 LYS A 26 7.932 -18.677 4.025 1.00 13.53 H new ATOM 0 HD2 LYS A 26 9.968 -19.608 6.070 1.00 0.21 H new ATOM 0 HD3 LYS A 26 8.602 -20.616 5.632 1.00 0.21 H new ATOM 0 HE2 LYS A 26 9.526 -19.861 3.145 1.00 74.32 H new ATOM 0 HE3 LYS A 26 11.020 -19.913 4.059 1.00 74.32 H new ATOM 0 HZ1 LYS A 26 10.526 -22.050 3.063 1.00 23.12 H new ATOM 0 HZ2 LYS A 26 10.482 -22.176 4.756 1.00 23.12 H new ATOM 0 HZ3 LYS A 26 9.035 -22.125 3.870 1.00 23.12 H new ATOM 388 N LYS A 27 9.034 -13.914 4.292 1.00 75.21 N ATOM 389 CA LYS A 27 8.638 -12.627 4.851 1.00 43.21 C ATOM 390 C LYS A 27 7.402 -12.082 4.142 1.00 22.34 C ATOM 391 O LYS A 27 7.209 -12.314 2.948 1.00 51.01 O ATOM 392 CB LYS A 27 9.787 -11.623 4.738 1.00 42.15 C ATOM 393 CG LYS A 27 10.370 -11.520 3.339 1.00 20.10 C ATOM 394 CD LYS A 27 11.665 -12.305 3.216 1.00 32.43 C ATOM 395 CE LYS A 27 12.872 -11.446 3.559 1.00 73.45 C ATOM 396 NZ LYS A 27 13.169 -10.453 2.490 1.00 3.42 N ATOM 0 H LYS A 27 9.848 -13.874 3.678 1.00 75.21 H new ATOM 0 HA LYS A 27 8.396 -12.776 5.903 1.00 43.21 H new ATOM 0 HB2 LYS A 27 9.431 -10.640 5.047 1.00 42.15 H new ATOM 0 HB3 LYS A 27 10.578 -11.909 5.432 1.00 42.15 H new ATOM 0 HG2 LYS A 27 9.647 -11.893 2.614 1.00 20.10 H new ATOM 0 HG3 LYS A 27 10.553 -10.473 3.096 1.00 20.10 H new ATOM 0 HD2 LYS A 27 11.632 -13.169 3.879 1.00 32.43 H new ATOM 0 HD3 LYS A 27 11.765 -12.686 2.200 1.00 32.43 H new ATOM 0 HE2 LYS A 27 12.691 -10.924 4.499 1.00 73.45 H new ATOM 0 HE3 LYS A 27 13.741 -12.086 3.712 1.00 73.45 H new ATOM 0 HZ1 LYS A 27 14.148 -10.117 2.590 1.00 3.42 H new ATOM 0 HZ2 LYS A 27 13.050 -10.900 1.558 1.00 3.42 H new ATOM 0 HZ3 LYS A 27 12.517 -9.647 2.574 1.00 3.42 H new ATOM 410 N GLN A 28 6.571 -11.358 4.884 1.00 3.35 N ATOM 411 CA GLN A 28 5.354 -10.781 4.324 1.00 14.15 C ATOM 412 C GLN A 28 5.397 -9.257 4.383 1.00 42.45 C ATOM 413 O GLN A 28 6.372 -8.672 4.856 1.00 40.41 O ATOM 414 CB GLN A 28 4.126 -11.298 5.075 1.00 72.21 C ATOM 415 CG GLN A 28 4.151 -12.798 5.320 1.00 53.54 C ATOM 416 CD GLN A 28 4.610 -13.151 6.721 1.00 63.45 C ATOM 417 OE1 GLN A 28 5.271 -12.357 7.390 1.00 14.33 O ATOM 418 NE2 GLN A 28 4.260 -14.350 7.174 1.00 64.40 N ATOM 0 H GLN A 28 6.717 -11.157 5.873 1.00 3.35 H new ATOM 0 HA GLN A 28 5.286 -11.084 3.279 1.00 14.15 H new ATOM 0 HB2 GLN A 28 4.052 -10.783 6.033 1.00 72.21 H new ATOM 0 HB3 GLN A 28 3.230 -11.046 4.508 1.00 72.21 H new ATOM 0 HG2 GLN A 28 3.154 -13.206 5.154 1.00 53.54 H new ATOM 0 HG3 GLN A 28 4.813 -13.270 4.595 1.00 53.54 H new ATOM 0 HE21 GLN A 28 3.711 -14.977 6.586 1.00 64.40 H new ATOM 0 HE22 GLN A 28 4.540 -14.643 8.110 1.00 64.40 H new ATOM 427 N TYR A 29 4.335 -8.621 3.901 1.00 52.01 N ATOM 428 CA TYR A 29 4.253 -7.165 3.898 1.00 73.30 C ATOM 429 C TYR A 29 3.487 -6.660 5.117 1.00 53.01 C ATOM 430 O TYR A 29 2.606 -7.343 5.639 1.00 22.24 O ATOM 431 CB TYR A 29 3.576 -6.675 2.617 1.00 51.31 C ATOM 432 CG TYR A 29 4.531 -6.488 1.461 1.00 32.13 C ATOM 433 CD1 TYR A 29 5.461 -5.454 1.462 1.00 60.21 C ATOM 434 CD2 TYR A 29 4.505 -7.343 0.365 1.00 11.30 C ATOM 435 CE1 TYR A 29 6.336 -5.279 0.408 1.00 2.13 C ATOM 436 CE2 TYR A 29 5.377 -7.176 -0.693 1.00 0.22 C ATOM 437 CZ TYR A 29 6.290 -6.142 -0.668 1.00 41.24 C ATOM 438 OH TYR A 29 7.159 -5.971 -1.721 1.00 61.23 O ATOM 0 H TYR A 29 3.519 -9.090 3.508 1.00 52.01 H new ATOM 0 HA TYR A 29 5.268 -6.769 3.940 1.00 73.30 H new ATOM 0 HB2 TYR A 29 2.804 -7.389 2.328 1.00 51.31 H new ATOM 0 HB3 TYR A 29 3.075 -5.729 2.820 1.00 51.31 H new ATOM 0 HD1 TYR A 29 5.500 -4.776 2.302 1.00 60.21 H new ATOM 0 HD2 TYR A 29 3.790 -8.152 0.340 1.00 11.30 H new ATOM 0 HE1 TYR A 29 7.052 -4.471 0.426 1.00 2.13 H new ATOM 0 HE2 TYR A 29 5.344 -7.851 -1.535 1.00 0.22 H new ATOM 0 HH TYR A 29 7.277 -6.824 -2.189 1.00 61.23 H new ATOM 448 N LYS A 30 3.830 -5.457 5.565 1.00 3.03 N ATOM 449 CA LYS A 30 3.174 -4.855 6.721 1.00 73.32 C ATOM 450 C LYS A 30 2.991 -3.355 6.523 1.00 12.14 C ATOM 451 O LYS A 30 3.596 -2.757 5.631 1.00 43.11 O ATOM 452 CB LYS A 30 3.991 -5.117 7.989 1.00 32.21 C ATOM 453 CG LYS A 30 3.487 -6.295 8.804 1.00 60.35 C ATOM 454 CD LYS A 30 2.990 -5.855 10.170 1.00 63.54 C ATOM 455 CE LYS A 30 4.125 -5.321 11.031 1.00 44.45 C ATOM 456 NZ LYS A 30 3.834 -5.468 12.485 1.00 33.33 N ATOM 0 H LYS A 30 4.558 -4.879 5.145 1.00 3.03 H new ATOM 0 HA LYS A 30 2.190 -5.312 6.828 1.00 73.32 H new ATOM 0 HB2 LYS A 30 5.030 -5.296 7.711 1.00 32.21 H new ATOM 0 HB3 LYS A 30 3.977 -4.222 8.612 1.00 32.21 H new ATOM 0 HG2 LYS A 30 2.681 -6.793 8.265 1.00 60.35 H new ATOM 0 HG3 LYS A 30 4.288 -7.024 8.925 1.00 60.35 H new ATOM 0 HD2 LYS A 30 2.229 -5.084 10.050 1.00 63.54 H new ATOM 0 HD3 LYS A 30 2.515 -6.697 10.674 1.00 63.54 H new ATOM 0 HE2 LYS A 30 5.045 -5.852 10.789 1.00 44.45 H new ATOM 0 HE3 LYS A 30 4.294 -4.269 10.799 1.00 44.45 H new ATOM 0 HZ1 LYS A 30 4.631 -5.093 13.038 1.00 33.33 H new ATOM 0 HZ2 LYS A 30 2.970 -4.940 12.721 1.00 33.33 H new ATOM 0 HZ3 LYS A 30 3.698 -6.474 12.712 1.00 33.33 H new ATOM 470 N LEU A 31 2.156 -2.750 7.359 1.00 44.25 N ATOM 471 CA LEU A 31 1.893 -1.317 7.278 1.00 35.23 C ATOM 472 C LEU A 31 3.190 -0.537 7.078 1.00 64.14 C ATOM 473 O LEU A 31 3.279 0.329 6.208 1.00 42.22 O ATOM 474 CB LEU A 31 1.184 -0.835 8.544 1.00 42.40 C ATOM 475 CG LEU A 31 -0.206 -1.419 8.798 1.00 71.32 C ATOM 476 CD1 LEU A 31 -0.331 -1.891 10.239 1.00 74.31 C ATOM 477 CD2 LEU A 31 -1.282 -0.394 8.477 1.00 4.12 C ATOM 0 H LEU A 31 1.648 -3.230 8.102 1.00 44.25 H new ATOM 0 HA LEU A 31 1.247 -1.139 6.419 1.00 35.23 H new ATOM 0 HB2 LEU A 31 1.816 -1.067 9.401 1.00 42.40 H new ATOM 0 HB3 LEU A 31 1.097 0.251 8.497 1.00 42.40 H new ATOM 0 HG LEU A 31 -0.343 -2.278 8.142 1.00 71.32 H new ATOM 0 HD11 LEU A 31 -1.327 -2.304 10.402 1.00 74.31 H new ATOM 0 HD12 LEU A 31 0.417 -2.659 10.436 1.00 74.31 H new ATOM 0 HD13 LEU A 31 -0.173 -1.049 10.913 1.00 74.31 H new ATOM 0 HD21 LEU A 31 -2.265 -0.827 8.664 1.00 4.12 H new ATOM 0 HD22 LEU A 31 -1.147 0.485 9.108 1.00 4.12 H new ATOM 0 HD23 LEU A 31 -1.207 -0.104 7.429 1.00 4.12 H new ATOM 489 N LYS A 32 4.193 -0.852 7.890 1.00 53.45 N ATOM 490 CA LYS A 32 5.486 -0.184 7.802 1.00 14.22 C ATOM 491 C LYS A 32 5.847 0.114 6.350 1.00 54.34 C ATOM 492 O LYS A 32 6.300 1.213 6.026 1.00 10.33 O ATOM 493 CB LYS A 32 6.575 -1.048 8.442 1.00 24.10 C ATOM 494 CG LYS A 32 6.372 -1.280 9.929 1.00 32.51 C ATOM 495 CD LYS A 32 7.618 -1.859 10.579 1.00 41.30 C ATOM 496 CE LYS A 32 8.508 -0.764 11.149 1.00 4.05 C ATOM 497 NZ LYS A 32 9.050 -1.131 12.487 1.00 22.35 N ATOM 0 H LYS A 32 4.135 -1.566 8.616 1.00 53.45 H new ATOM 0 HA LYS A 32 5.416 0.760 8.342 1.00 14.22 H new ATOM 0 HB2 LYS A 32 6.608 -2.012 7.934 1.00 24.10 H new ATOM 0 HB3 LYS A 32 7.543 -0.572 8.286 1.00 24.10 H new ATOM 0 HG2 LYS A 32 6.112 -0.338 10.413 1.00 32.51 H new ATOM 0 HG3 LYS A 32 5.533 -1.959 10.081 1.00 32.51 H new ATOM 0 HD2 LYS A 32 7.329 -2.546 11.375 1.00 41.30 H new ATOM 0 HD3 LYS A 32 8.177 -2.439 9.845 1.00 41.30 H new ATOM 0 HE2 LYS A 32 9.333 -0.573 10.463 1.00 4.05 H new ATOM 0 HE3 LYS A 32 7.939 0.162 11.229 1.00 4.05 H new ATOM 0 HZ1 LYS A 32 9.651 -0.360 12.842 1.00 22.35 H new ATOM 0 HZ2 LYS A 32 8.263 -1.289 13.149 1.00 22.35 H new ATOM 0 HZ3 LYS A 32 9.615 -2.001 12.406 1.00 22.35 H new ATOM 511 N HIS A 33 5.643 -0.870 5.481 1.00 14.24 N ATOM 512 CA HIS A 33 5.946 -0.711 4.062 1.00 25.42 C ATOM 513 C HIS A 33 5.008 0.306 3.418 1.00 61.52 C ATOM 514 O HIS A 33 5.516 1.162 2.693 1.00 4.52 O ATOM 515 CB HIS A 33 5.830 -2.055 3.341 1.00 23.13 C ATOM 516 CG HIS A 33 6.700 -3.125 3.927 1.00 20.40 C ATOM 517 ND1 HIS A 33 6.199 -4.213 4.609 1.00 60.45 N ATOM 518 CD2 HIS A 33 8.045 -3.271 3.927 1.00 55.50 C ATOM 519 CE1 HIS A 33 7.199 -4.981 5.005 1.00 42.34 C ATOM 520 NE2 HIS A 33 8.331 -4.431 4.604 1.00 10.45 N ATOM 0 H HIS A 33 5.270 -1.785 5.733 1.00 14.24 H new ATOM 0 HA HIS A 33 6.969 -0.345 3.972 1.00 25.42 H new ATOM 0 HB2 HIS A 33 4.792 -2.386 3.370 1.00 23.13 H new ATOM 0 HB3 HIS A 33 6.092 -1.919 2.292 1.00 23.13 H new ATOM 0 HD2 HIS A 33 8.761 -2.599 3.478 1.00 55.50 H new ATOM 0 HE1 HIS A 33 7.106 -5.902 5.562 1.00 42.34 H new ATOM 0 HE2 HIS A 33 9.265 -4.806 4.770 1.00 10.45 H new ATOM 528 N ILE A 34 3.703 0.237 3.653 1.00 5.51 N ATOM 529 CA ILE A 34 2.770 1.188 3.061 1.00 25.10 C ATOM 530 C ILE A 34 3.173 2.625 3.377 1.00 34.32 C ATOM 531 O ILE A 34 3.373 3.437 2.473 1.00 43.12 O ATOM 532 CB ILE A 34 1.331 0.950 3.559 1.00 42.40 C ATOM 533 CG1 ILE A 34 0.855 -0.448 3.159 1.00 51.40 C ATOM 534 CG2 ILE A 34 0.396 2.013 3.003 1.00 44.22 C ATOM 535 CD1 ILE A 34 -0.513 -0.798 3.701 1.00 3.23 C ATOM 0 H ILE A 34 3.267 -0.467 4.249 1.00 5.51 H new ATOM 0 HA ILE A 34 2.804 1.032 1.983 1.00 25.10 H new ATOM 0 HB ILE A 34 1.322 1.019 4.647 1.00 42.40 H new ATOM 0 HG12 ILE A 34 0.835 -0.519 2.071 1.00 51.40 H new ATOM 0 HG13 ILE A 34 1.577 -1.184 3.513 1.00 51.40 H new ATOM 0 HG21 ILE A 34 -0.617 1.832 3.363 1.00 44.22 H new ATOM 0 HG22 ILE A 34 0.728 2.998 3.333 1.00 44.22 H new ATOM 0 HG23 ILE A 34 0.406 1.973 1.914 1.00 44.22 H new ATOM 0 HD11 ILE A 34 -0.786 -1.803 3.378 1.00 3.23 H new ATOM 0 HD12 ILE A 34 -0.494 -0.760 4.790 1.00 3.23 H new ATOM 0 HD13 ILE A 34 -1.247 -0.084 3.326 1.00 3.23 H new ATOM 547 N VAL A 35 3.293 2.931 4.664 1.00 73.22 N ATOM 548 CA VAL A 35 3.677 4.268 5.100 1.00 50.41 C ATOM 549 C VAL A 35 5.017 4.677 4.501 1.00 53.54 C ATOM 550 O VAL A 35 5.150 5.761 3.932 1.00 63.43 O ATOM 551 CB VAL A 35 3.764 4.355 6.635 1.00 45.25 C ATOM 552 CG1 VAL A 35 4.227 5.738 7.066 1.00 54.12 C ATOM 553 CG2 VAL A 35 2.422 4.013 7.265 1.00 5.32 C ATOM 0 H VAL A 35 3.130 2.271 5.424 1.00 73.22 H new ATOM 0 HA VAL A 35 2.902 4.950 4.749 1.00 50.41 H new ATOM 0 HB VAL A 35 4.498 3.628 6.982 1.00 45.25 H new ATOM 0 HG11 VAL A 35 4.282 5.781 8.154 1.00 54.12 H new ATOM 0 HG12 VAL A 35 5.212 5.940 6.644 1.00 54.12 H new ATOM 0 HG13 VAL A 35 3.519 6.486 6.709 1.00 54.12 H new ATOM 0 HG21 VAL A 35 2.502 4.080 8.350 1.00 5.32 H new ATOM 0 HG22 VAL A 35 1.666 4.715 6.913 1.00 5.32 H new ATOM 0 HG23 VAL A 35 2.136 3.000 6.984 1.00 5.32 H new ATOM 563 N TRP A 36 6.009 3.804 4.634 1.00 21.42 N ATOM 564 CA TRP A 36 7.341 4.074 4.105 1.00 53.23 C ATOM 565 C TRP A 36 7.291 4.319 2.602 1.00 2.32 C ATOM 566 O TRP A 36 8.202 4.918 2.030 1.00 30.31 O ATOM 567 CB TRP A 36 8.282 2.907 4.413 1.00 44.55 C ATOM 568 CG TRP A 36 9.540 2.929 3.600 1.00 75.11 C ATOM 569 CD1 TRP A 36 10.706 3.569 3.911 1.00 43.41 C ATOM 570 CD2 TRP A 36 9.759 2.281 2.343 1.00 34.12 C ATOM 571 NE1 TRP A 36 11.635 3.360 2.921 1.00 51.31 N ATOM 572 CE2 TRP A 36 11.080 2.572 1.948 1.00 52.01 C ATOM 573 CE3 TRP A 36 8.969 1.482 1.511 1.00 62.12 C ATOM 574 CZ2 TRP A 36 11.624 2.093 0.760 1.00 74.41 C ATOM 575 CZ3 TRP A 36 9.511 1.007 0.332 1.00 42.31 C ATOM 576 CH2 TRP A 36 10.829 1.312 -0.035 1.00 44.53 C ATOM 0 H TRP A 36 5.916 2.903 5.104 1.00 21.42 H new ATOM 0 HA TRP A 36 7.720 4.974 4.588 1.00 53.23 H new ATOM 0 HB2 TRP A 36 8.541 2.928 5.471 1.00 44.55 H new ATOM 0 HB3 TRP A 36 7.757 1.969 4.232 1.00 44.55 H new ATOM 0 HD1 TRP A 36 10.873 4.153 4.804 1.00 43.41 H new ATOM 0 HE1 TRP A 36 12.585 3.732 2.912 1.00 51.31 H new ATOM 0 HE3 TRP A 36 7.953 1.240 1.785 1.00 62.12 H new ATOM 0 HZ2 TRP A 36 12.639 2.329 0.475 1.00 74.41 H new ATOM 0 HZ3 TRP A 36 8.909 0.390 -0.318 1.00 42.31 H new ATOM 0 HH2 TRP A 36 11.225 0.924 -0.962 1.00 44.53 H new ATOM 587 N ALA A 37 6.221 3.854 1.966 1.00 34.44 N ATOM 588 CA ALA A 37 6.051 4.025 0.528 1.00 52.43 C ATOM 589 C ALA A 37 5.332 5.332 0.212 1.00 53.44 C ATOM 590 O ALA A 37 5.818 6.145 -0.574 1.00 2.50 O ATOM 591 CB ALA A 37 5.290 2.846 -0.058 1.00 1.21 C ATOM 0 H ALA A 37 5.458 3.355 2.424 1.00 34.44 H new ATOM 0 HA ALA A 37 7.040 4.066 0.073 1.00 52.43 H new ATOM 0 HB1 ALA A 37 5.171 2.988 -1.132 1.00 1.21 H new ATOM 0 HB2 ALA A 37 5.845 1.926 0.127 1.00 1.21 H new ATOM 0 HB3 ALA A 37 4.308 2.778 0.410 1.00 1.21 H new ATOM 597 N SER A 38 4.172 5.528 0.830 1.00 42.11 N ATOM 598 CA SER A 38 3.382 6.735 0.610 1.00 31.10 C ATOM 599 C SER A 38 4.195 7.982 0.942 1.00 51.34 C ATOM 600 O SER A 38 3.970 9.052 0.375 1.00 63.13 O ATOM 601 CB SER A 38 2.111 6.699 1.460 1.00 52.43 C ATOM 602 OG SER A 38 1.399 7.921 1.364 1.00 21.23 O ATOM 0 H SER A 38 3.758 4.867 1.487 1.00 42.11 H new ATOM 0 HA SER A 38 3.105 6.773 -0.443 1.00 31.10 H new ATOM 0 HB2 SER A 38 1.474 5.877 1.133 1.00 52.43 H new ATOM 0 HB3 SER A 38 2.371 6.507 2.501 1.00 52.43 H new ATOM 0 HG SER A 38 0.590 7.872 1.915 1.00 21.23 H new ATOM 608 N ARG A 39 5.140 7.837 1.864 1.00 54.33 N ATOM 609 CA ARG A 39 5.987 8.952 2.274 1.00 11.31 C ATOM 610 C ARG A 39 7.059 9.234 1.225 1.00 54.20 C ATOM 611 O ARG A 39 7.602 10.336 1.161 1.00 14.12 O ATOM 612 CB ARG A 39 6.643 8.654 3.623 1.00 45.02 C ATOM 613 CG ARG A 39 5.998 9.385 4.789 1.00 54.11 C ATOM 614 CD ARG A 39 4.510 9.085 4.880 1.00 53.21 C ATOM 615 NE ARG A 39 3.904 9.680 6.069 1.00 15.11 N ATOM 616 CZ ARG A 39 2.718 9.322 6.546 1.00 62.32 C ATOM 617 NH1 ARG A 39 2.014 8.376 5.940 1.00 22.33 N ATOM 618 NH2 ARG A 39 2.233 9.910 7.633 1.00 31.24 N ATOM 0 H ARG A 39 5.339 6.958 2.342 1.00 54.33 H new ATOM 0 HA ARG A 39 5.358 9.837 2.373 1.00 11.31 H new ATOM 0 HB2 ARG A 39 6.600 7.581 3.809 1.00 45.02 H new ATOM 0 HB3 ARG A 39 7.697 8.926 3.573 1.00 45.02 H new ATOM 0 HG2 ARG A 39 6.487 9.093 5.718 1.00 54.11 H new ATOM 0 HG3 ARG A 39 6.148 10.459 4.674 1.00 54.11 H new ATOM 0 HD2 ARG A 39 4.009 9.464 3.989 1.00 53.21 H new ATOM 0 HD3 ARG A 39 4.358 8.006 4.897 1.00 53.21 H new ATOM 0 HE ARG A 39 4.420 10.410 6.559 1.00 15.11 H new ATOM 0 HH11 ARG A 39 2.383 7.921 5.105 1.00 22.33 H new ATOM 0 HH12 ARG A 39 1.103 8.103 6.309 1.00 22.33 H new ATOM 0 HH21 ARG A 39 2.772 10.638 8.103 1.00 31.24 H new ATOM 0 HH22 ARG A 39 1.322 9.634 7.998 1.00 31.24 H new ATOM 632 N GLU A 40 7.359 8.229 0.408 1.00 10.43 N ATOM 633 CA GLU A 40 8.368 8.369 -0.637 1.00 43.54 C ATOM 634 C GLU A 40 7.782 9.053 -1.869 1.00 55.51 C ATOM 635 O GLU A 40 8.433 9.890 -2.496 1.00 13.52 O ATOM 636 CB GLU A 40 8.931 7.000 -1.019 1.00 54.23 C ATOM 637 CG GLU A 40 10.247 7.073 -1.776 1.00 44.51 C ATOM 638 CD GLU A 40 11.449 6.843 -0.881 1.00 53.45 C ATOM 639 OE1 GLU A 40 11.342 6.029 0.060 1.00 12.11 O ATOM 640 OE2 GLU A 40 12.498 7.477 -1.123 1.00 31.51 O ATOM 0 H GLU A 40 6.919 7.310 0.449 1.00 10.43 H new ATOM 0 HA GLU A 40 9.175 8.989 -0.248 1.00 43.54 H new ATOM 0 HB2 GLU A 40 9.074 6.410 -0.114 1.00 54.23 H new ATOM 0 HB3 GLU A 40 8.199 6.473 -1.630 1.00 54.23 H new ATOM 0 HG2 GLU A 40 10.245 6.330 -2.573 1.00 44.51 H new ATOM 0 HG3 GLU A 40 10.335 8.050 -2.251 1.00 44.51 H new ATOM 647 N LEU A 41 6.552 8.691 -2.211 1.00 62.53 N ATOM 648 CA LEU A 41 5.878 9.268 -3.369 1.00 64.42 C ATOM 649 C LEU A 41 5.937 10.791 -3.331 1.00 41.35 C ATOM 650 O LEU A 41 6.300 11.433 -4.316 1.00 43.33 O ATOM 651 CB LEU A 41 4.421 8.804 -3.420 1.00 22.31 C ATOM 652 CG LEU A 41 4.196 7.292 -3.357 1.00 1.43 C ATOM 653 CD1 LEU A 41 2.711 6.979 -3.251 1.00 62.44 C ATOM 654 CD2 LEU A 41 4.801 6.612 -4.576 1.00 72.44 C ATOM 0 H LEU A 41 6.000 8.000 -1.703 1.00 62.53 H new ATOM 0 HA LEU A 41 6.394 8.925 -4.266 1.00 64.42 H new ATOM 0 HB2 LEU A 41 3.884 9.266 -2.592 1.00 22.31 H new ATOM 0 HB3 LEU A 41 3.973 9.180 -4.340 1.00 22.31 H new ATOM 0 HG LEU A 41 4.693 6.906 -2.467 1.00 1.43 H new ATOM 0 HD11 LEU A 41 2.569 5.899 -3.207 1.00 62.44 H new ATOM 0 HD12 LEU A 41 2.307 7.435 -2.347 1.00 62.44 H new ATOM 0 HD13 LEU A 41 2.192 7.378 -4.122 1.00 62.44 H new ATOM 0 HD21 LEU A 41 4.632 5.537 -4.514 1.00 72.44 H new ATOM 0 HD22 LEU A 41 4.333 7.002 -5.480 1.00 72.44 H new ATOM 0 HD23 LEU A 41 5.873 6.809 -4.608 1.00 72.44 H new ATOM 666 N GLU A 42 5.581 11.363 -2.184 1.00 12.54 N ATOM 667 CA GLU A 42 5.595 12.811 -2.017 1.00 15.55 C ATOM 668 C GLU A 42 6.939 13.396 -2.443 1.00 35.34 C ATOM 669 O GLU A 42 7.007 14.506 -2.971 1.00 22.12 O ATOM 670 CB GLU A 42 5.304 13.182 -0.562 1.00 11.42 C ATOM 671 CG GLU A 42 4.047 14.017 -0.386 1.00 43.01 C ATOM 672 CD GLU A 42 3.436 13.867 0.994 1.00 4.30 C ATOM 673 OE1 GLU A 42 3.598 12.788 1.600 1.00 43.11 O ATOM 674 OE2 GLU A 42 2.797 14.830 1.468 1.00 44.20 O ATOM 0 H GLU A 42 5.280 10.846 -1.358 1.00 12.54 H new ATOM 0 HA GLU A 42 4.817 13.231 -2.654 1.00 15.55 H new ATOM 0 HB2 GLU A 42 5.208 12.268 0.025 1.00 11.42 H new ATOM 0 HB3 GLU A 42 6.155 13.732 -0.159 1.00 11.42 H new ATOM 0 HG2 GLU A 42 4.285 15.066 -0.562 1.00 43.01 H new ATOM 0 HG3 GLU A 42 3.313 13.726 -1.138 1.00 43.01 H new ATOM 681 N ARG A 43 8.006 12.639 -2.212 1.00 71.12 N ATOM 682 CA ARG A 43 9.349 13.081 -2.569 1.00 34.41 C ATOM 683 C ARG A 43 9.627 12.831 -4.048 1.00 31.02 C ATOM 684 O ARG A 43 10.401 13.554 -4.676 1.00 74.45 O ATOM 685 CB ARG A 43 10.392 12.358 -1.714 1.00 11.24 C ATOM 686 CG ARG A 43 11.387 13.294 -1.048 1.00 35.21 C ATOM 687 CD ARG A 43 11.852 12.749 0.293 1.00 74.34 C ATOM 688 NE ARG A 43 12.876 13.595 0.903 1.00 23.15 N ATOM 689 CZ ARG A 43 13.279 13.470 2.162 1.00 23.20 C ATOM 690 NH1 ARG A 43 12.748 12.537 2.942 1.00 23.12 N ATOM 691 NH2 ARG A 43 14.214 14.277 2.644 1.00 32.53 N ATOM 0 H ARG A 43 7.967 11.716 -1.779 1.00 71.12 H new ATOM 0 HA ARG A 43 9.414 14.152 -2.380 1.00 34.41 H new ATOM 0 HB2 ARG A 43 9.881 11.778 -0.946 1.00 11.24 H new ATOM 0 HB3 ARG A 43 10.935 11.650 -2.340 1.00 11.24 H new ATOM 0 HG2 ARG A 43 12.247 13.437 -1.702 1.00 35.21 H new ATOM 0 HG3 ARG A 43 10.928 14.273 -0.905 1.00 35.21 H new ATOM 0 HD2 ARG A 43 10.999 12.669 0.967 1.00 74.34 H new ATOM 0 HD3 ARG A 43 12.247 11.742 0.158 1.00 74.34 H new ATOM 0 HE ARG A 43 13.305 14.322 0.330 1.00 23.15 H new ATOM 0 HH11 ARG A 43 12.029 11.914 2.575 1.00 23.12 H new ATOM 0 HH12 ARG A 43 13.059 12.443 3.909 1.00 23.12 H new ATOM 0 HH21 ARG A 43 14.625 14.995 2.047 1.00 32.53 H new ATOM 0 HH22 ARG A 43 14.522 14.180 3.611 1.00 32.53 H new ATOM 705 N PHE A 44 8.991 11.802 -4.599 1.00 53.20 N ATOM 706 CA PHE A 44 9.171 11.456 -6.004 1.00 33.21 C ATOM 707 C PHE A 44 8.206 12.242 -6.887 1.00 42.21 C ATOM 708 O PHE A 44 7.839 11.797 -7.973 1.00 24.34 O ATOM 709 CB PHE A 44 8.963 9.955 -6.212 1.00 20.32 C ATOM 710 CG PHE A 44 10.207 9.141 -5.994 1.00 42.14 C ATOM 711 CD1 PHE A 44 11.375 9.440 -6.675 1.00 42.41 C ATOM 712 CD2 PHE A 44 10.206 8.076 -5.107 1.00 14.20 C ATOM 713 CE1 PHE A 44 12.520 8.693 -6.476 1.00 50.33 C ATOM 714 CE2 PHE A 44 11.349 7.325 -4.904 1.00 73.24 C ATOM 715 CZ PHE A 44 12.508 7.635 -5.589 1.00 40.04 C ATOM 0 H PHE A 44 8.347 11.194 -4.094 1.00 53.20 H new ATOM 0 HA PHE A 44 10.190 11.718 -6.288 1.00 33.21 H new ATOM 0 HB2 PHE A 44 8.186 9.606 -5.531 1.00 20.32 H new ATOM 0 HB3 PHE A 44 8.599 9.784 -7.225 1.00 20.32 H new ATOM 0 HD1 PHE A 44 11.391 10.267 -7.370 1.00 42.41 H new ATOM 0 HD2 PHE A 44 9.303 7.830 -4.569 1.00 14.20 H new ATOM 0 HE1 PHE A 44 13.424 8.937 -7.014 1.00 50.33 H new ATOM 0 HE2 PHE A 44 11.336 6.497 -4.211 1.00 73.24 H new ATOM 0 HZ PHE A 44 13.403 7.051 -5.431 1.00 40.04 H new ATOM 725 N ALA A 45 7.798 13.414 -6.410 1.00 71.23 N ATOM 726 CA ALA A 45 6.877 14.262 -7.155 1.00 41.44 C ATOM 727 C ALA A 45 5.571 13.531 -7.448 1.00 52.15 C ATOM 728 O ALA A 45 4.812 13.926 -8.332 1.00 42.52 O ATOM 729 CB ALA A 45 7.523 14.734 -8.449 1.00 65.13 C ATOM 0 H ALA A 45 8.091 13.797 -5.511 1.00 71.23 H new ATOM 0 HA ALA A 45 6.645 15.132 -6.540 1.00 41.44 H new ATOM 0 HB1 ALA A 45 6.823 15.367 -8.995 1.00 65.13 H new ATOM 0 HB2 ALA A 45 8.424 15.303 -8.219 1.00 65.13 H new ATOM 0 HB3 ALA A 45 7.785 13.871 -9.061 1.00 65.13 H new ATOM 735 N VAL A 46 5.317 12.461 -6.701 1.00 35.31 N ATOM 736 CA VAL A 46 4.103 11.674 -6.881 1.00 53.21 C ATOM 737 C VAL A 46 3.176 11.811 -5.679 1.00 63.15 C ATOM 738 O VAL A 46 3.554 11.492 -4.552 1.00 65.13 O ATOM 739 CB VAL A 46 4.428 10.184 -7.098 1.00 3.25 C ATOM 740 CG1 VAL A 46 3.148 9.367 -7.187 1.00 23.21 C ATOM 741 CG2 VAL A 46 5.275 10.001 -8.349 1.00 0.32 C ATOM 0 H VAL A 46 5.936 12.120 -5.966 1.00 35.31 H new ATOM 0 HA VAL A 46 3.602 12.062 -7.768 1.00 53.21 H new ATOM 0 HB VAL A 46 5.001 9.826 -6.243 1.00 3.25 H new ATOM 0 HG11 VAL A 46 3.397 8.317 -7.340 1.00 23.21 H new ATOM 0 HG12 VAL A 46 2.583 9.475 -6.261 1.00 23.21 H new ATOM 0 HG13 VAL A 46 2.546 9.723 -8.023 1.00 23.21 H new ATOM 0 HG21 VAL A 46 5.496 8.943 -8.487 1.00 0.32 H new ATOM 0 HG22 VAL A 46 4.729 10.374 -9.216 1.00 0.32 H new ATOM 0 HG23 VAL A 46 6.208 10.555 -8.241 1.00 0.32 H new ATOM 751 N ASN A 47 1.960 12.286 -5.927 1.00 55.40 N ATOM 752 CA ASN A 47 0.978 12.466 -4.864 1.00 62.24 C ATOM 753 C ASN A 47 0.693 11.144 -4.158 1.00 22.24 C ATOM 754 O ASN A 47 0.570 10.091 -4.784 1.00 24.54 O ATOM 755 CB ASN A 47 -0.320 13.043 -5.432 1.00 52.21 C ATOM 756 CG ASN A 47 -0.069 14.169 -6.418 1.00 71.14 C ATOM 757 OD1 ASN A 47 -0.132 13.971 -7.631 1.00 2.53 O ATOM 758 ND2 ASN A 47 0.218 15.357 -5.898 1.00 33.25 N ATOM 0 H ASN A 47 1.631 12.553 -6.855 1.00 55.40 H new ATOM 0 HA ASN A 47 1.391 13.165 -4.137 1.00 62.24 H new ATOM 0 HB2 ASN A 47 -0.882 12.250 -5.925 1.00 52.21 H new ATOM 0 HB3 ASN A 47 -0.939 13.411 -4.614 1.00 52.21 H new ATOM 0 HD21 ASN A 47 0.397 16.152 -6.511 1.00 33.25 H new ATOM 0 HD22 ASN A 47 0.259 15.474 -4.886 1.00 33.25 H new ATOM 765 N PRO A 48 0.585 11.197 -2.822 1.00 22.14 N ATOM 766 CA PRO A 48 0.312 10.013 -2.003 1.00 40.25 C ATOM 767 C PRO A 48 -1.107 9.490 -2.194 1.00 25.04 C ATOM 768 O PRO A 48 -1.472 8.443 -1.660 1.00 31.11 O ATOM 769 CB PRO A 48 0.506 10.521 -0.572 1.00 62.45 C ATOM 770 CG PRO A 48 0.245 11.985 -0.650 1.00 13.11 C ATOM 771 CD PRO A 48 0.721 12.417 -2.010 1.00 64.03 C ATOM 0 HA PRO A 48 0.960 9.177 -2.266 1.00 40.25 H new ATOM 0 HB2 PRO A 48 -0.182 10.033 0.118 1.00 62.45 H new ATOM 0 HB3 PRO A 48 1.515 10.318 -0.213 1.00 62.45 H new ATOM 0 HG2 PRO A 48 -0.816 12.200 -0.521 1.00 13.11 H new ATOM 0 HG3 PRO A 48 0.777 12.519 0.138 1.00 13.11 H new ATOM 0 HD2 PRO A 48 0.117 13.233 -2.407 1.00 64.03 H new ATOM 0 HD3 PRO A 48 1.752 12.768 -1.982 1.00 64.03 H new ATOM 779 N GLY A 49 -1.907 10.226 -2.962 1.00 71.35 N ATOM 780 CA GLY A 49 -3.277 9.819 -3.209 1.00 13.33 C ATOM 781 C GLY A 49 -3.390 8.829 -4.352 1.00 71.25 C ATOM 782 O GLY A 49 -4.475 8.322 -4.639 1.00 22.41 O ATOM 0 H GLY A 49 -1.630 11.096 -3.417 1.00 71.35 H new ATOM 0 HA2 GLY A 49 -3.689 9.373 -2.304 1.00 13.33 H new ATOM 0 HA3 GLY A 49 -3.880 10.699 -3.434 1.00 13.33 H new ATOM 786 N LEU A 50 -2.268 8.553 -5.007 1.00 54.03 N ATOM 787 CA LEU A 50 -2.244 7.617 -6.126 1.00 45.53 C ATOM 788 C LEU A 50 -2.209 6.175 -5.630 1.00 64.05 C ATOM 789 O LEU A 50 -1.881 5.256 -6.381 1.00 3.41 O ATOM 790 CB LEU A 50 -1.035 7.891 -7.020 1.00 12.01 C ATOM 791 CG LEU A 50 -1.110 9.148 -7.886 1.00 4.14 C ATOM 792 CD1 LEU A 50 0.148 9.295 -8.727 1.00 53.21 C ATOM 793 CD2 LEU A 50 -2.346 9.110 -8.775 1.00 51.01 C ATOM 0 H LEU A 50 -1.362 8.964 -4.783 1.00 54.03 H new ATOM 0 HA LEU A 50 -3.156 7.759 -6.706 1.00 45.53 H new ATOM 0 HB2 LEU A 50 -0.150 7.962 -6.388 1.00 12.01 H new ATOM 0 HB3 LEU A 50 -0.891 7.032 -7.675 1.00 12.01 H new ATOM 0 HG LEU A 50 -1.185 10.014 -7.228 1.00 4.14 H new ATOM 0 HD11 LEU A 50 0.075 10.196 -9.336 1.00 53.21 H new ATOM 0 HD12 LEU A 50 1.017 9.369 -8.073 1.00 53.21 H new ATOM 0 HD13 LEU A 50 0.256 8.426 -9.376 1.00 53.21 H new ATOM 0 HD21 LEU A 50 -2.383 10.013 -9.385 1.00 51.01 H new ATOM 0 HD22 LEU A 50 -2.301 8.235 -9.424 1.00 51.01 H new ATOM 0 HD23 LEU A 50 -3.240 9.055 -8.153 1.00 51.01 H new ATOM 805 N LEU A 51 -2.549 5.984 -4.359 1.00 51.30 N ATOM 806 CA LEU A 51 -2.559 4.653 -3.762 1.00 34.42 C ATOM 807 C LEU A 51 -3.985 4.135 -3.607 1.00 30.24 C ATOM 808 O LEU A 51 -4.200 2.972 -3.268 1.00 15.24 O ATOM 809 CB LEU A 51 -1.862 4.679 -2.400 1.00 23.12 C ATOM 810 CG LEU A 51 -0.462 5.293 -2.373 1.00 4.30 C ATOM 811 CD1 LEU A 51 0.153 5.158 -0.989 1.00 10.11 C ATOM 812 CD2 LEU A 51 0.427 4.640 -3.421 1.00 54.11 C ATOM 0 H LEU A 51 -2.821 6.734 -3.723 1.00 51.30 H new ATOM 0 HA LEU A 51 -2.019 3.979 -4.427 1.00 34.42 H new ATOM 0 HB2 LEU A 51 -2.492 5.231 -1.702 1.00 23.12 H new ATOM 0 HB3 LEU A 51 -1.795 3.656 -2.029 1.00 23.12 H new ATOM 0 HG LEU A 51 -0.546 6.354 -2.608 1.00 4.30 H new ATOM 0 HD11 LEU A 51 1.149 5.600 -0.989 1.00 10.11 H new ATOM 0 HD12 LEU A 51 -0.473 5.673 -0.261 1.00 10.11 H new ATOM 0 HD13 LEU A 51 0.224 4.103 -0.724 1.00 10.11 H new ATOM 0 HD21 LEU A 51 1.419 5.089 -3.387 1.00 54.11 H new ATOM 0 HD22 LEU A 51 0.505 3.572 -3.217 1.00 54.11 H new ATOM 0 HD23 LEU A 51 -0.006 4.790 -4.410 1.00 54.11 H new ATOM 824 N GLU A 52 -4.956 5.007 -3.861 1.00 74.43 N ATOM 825 CA GLU A 52 -6.362 4.636 -3.750 1.00 3.41 C ATOM 826 C GLU A 52 -7.007 4.536 -5.129 1.00 22.32 C ATOM 827 O GLU A 52 -8.095 5.066 -5.360 1.00 53.02 O ATOM 828 CB GLU A 52 -7.116 5.658 -2.896 1.00 31.53 C ATOM 829 CG GLU A 52 -7.130 7.056 -3.489 1.00 20.31 C ATOM 830 CD GLU A 52 -8.474 7.742 -3.336 1.00 61.15 C ATOM 831 OE1 GLU A 52 -9.028 7.718 -2.217 1.00 60.21 O ATOM 832 OE2 GLU A 52 -8.971 8.302 -4.335 1.00 51.14 O ATOM 0 H GLU A 52 -4.795 5.974 -4.145 1.00 74.43 H new ATOM 0 HA GLU A 52 -6.417 3.659 -3.269 1.00 3.41 H new ATOM 0 HB2 GLU A 52 -8.143 5.319 -2.762 1.00 31.53 H new ATOM 0 HB3 GLU A 52 -6.662 5.697 -1.906 1.00 31.53 H new ATOM 0 HG2 GLU A 52 -6.361 7.659 -3.006 1.00 20.31 H new ATOM 0 HG3 GLU A 52 -6.873 7.000 -4.547 1.00 20.31 H new ATOM 839 N THR A 53 -6.329 3.850 -6.046 1.00 41.55 N ATOM 840 CA THR A 53 -6.834 3.681 -7.402 1.00 44.00 C ATOM 841 C THR A 53 -5.889 2.825 -8.238 1.00 44.12 C ATOM 842 O THR A 53 -4.767 3.234 -8.536 1.00 73.21 O ATOM 843 CB THR A 53 -7.034 5.038 -8.101 1.00 13.11 C ATOM 844 OG1 THR A 53 -7.046 4.860 -9.522 1.00 31.13 O ATOM 845 CG2 THR A 53 -5.929 6.012 -7.717 1.00 65.12 C ATOM 0 H THR A 53 -5.429 3.403 -5.873 1.00 41.55 H new ATOM 0 HA THR A 53 -7.798 3.179 -7.320 1.00 44.00 H new ATOM 0 HB THR A 53 -7.990 5.451 -7.779 1.00 13.11 H new ATOM 0 HG1 THR A 53 -7.175 5.727 -9.959 1.00 31.13 H new ATOM 0 HG21 THR A 53 -6.091 6.964 -8.223 1.00 65.12 H new ATOM 0 HG22 THR A 53 -5.940 6.168 -6.638 1.00 65.12 H new ATOM 0 HG23 THR A 53 -4.964 5.603 -8.015 1.00 65.12 H new ATOM 853 N SER A 54 -6.349 1.636 -8.612 1.00 21.42 N ATOM 854 CA SER A 54 -5.543 0.721 -9.412 1.00 54.24 C ATOM 855 C SER A 54 -5.004 1.418 -10.657 1.00 64.13 C ATOM 856 O SER A 54 -3.900 1.126 -11.115 1.00 21.15 O ATOM 857 CB SER A 54 -6.370 -0.501 -9.815 1.00 73.20 C ATOM 858 OG SER A 54 -7.742 -0.306 -9.526 1.00 65.41 O ATOM 0 H SER A 54 -7.276 1.283 -8.374 1.00 21.42 H new ATOM 0 HA SER A 54 -4.698 0.395 -8.805 1.00 54.24 H new ATOM 0 HB2 SER A 54 -6.244 -0.694 -10.880 1.00 73.20 H new ATOM 0 HB3 SER A 54 -6.005 -1.381 -9.286 1.00 73.20 H new ATOM 0 HG SER A 54 -8.249 -1.101 -9.795 1.00 65.41 H new ATOM 864 N GLU A 55 -5.793 2.341 -11.198 1.00 15.14 N ATOM 865 CA GLU A 55 -5.395 3.080 -12.391 1.00 11.11 C ATOM 866 C GLU A 55 -4.440 4.215 -12.036 1.00 55.35 C ATOM 867 O GLU A 55 -3.622 4.634 -12.854 1.00 63.13 O ATOM 868 CB GLU A 55 -6.627 3.640 -13.106 1.00 32.14 C ATOM 869 CG GLU A 55 -7.656 2.581 -13.464 1.00 21.51 C ATOM 870 CD GLU A 55 -8.940 3.176 -14.007 1.00 42.22 C ATOM 871 OE1 GLU A 55 -9.792 3.593 -13.194 1.00 33.15 O ATOM 872 OE2 GLU A 55 -9.095 3.226 -15.245 1.00 34.22 O ATOM 0 H GLU A 55 -6.710 2.595 -10.830 1.00 15.14 H new ATOM 0 HA GLU A 55 -4.879 2.390 -13.058 1.00 11.11 H new ATOM 0 HB2 GLU A 55 -7.096 4.390 -12.470 1.00 32.14 H new ATOM 0 HB3 GLU A 55 -6.309 4.148 -14.016 1.00 32.14 H new ATOM 0 HG2 GLU A 55 -7.232 1.904 -14.205 1.00 21.51 H new ATOM 0 HG3 GLU A 55 -7.882 1.985 -12.580 1.00 21.51 H new ATOM 879 N GLY A 56 -4.551 4.711 -10.807 1.00 50.10 N ATOM 880 CA GLY A 56 -3.693 5.794 -10.363 1.00 41.44 C ATOM 881 C GLY A 56 -2.393 5.296 -9.765 1.00 35.41 C ATOM 882 O GLY A 56 -1.478 6.080 -9.510 1.00 71.03 O ATOM 0 H GLY A 56 -5.220 4.382 -10.111 1.00 50.10 H new ATOM 0 HA2 GLY A 56 -3.474 6.449 -11.206 1.00 41.44 H new ATOM 0 HA3 GLY A 56 -4.223 6.394 -9.623 1.00 41.44 H new ATOM 886 N CYS A 57 -2.309 3.989 -9.541 1.00 33.00 N ATOM 887 CA CYS A 57 -1.111 3.387 -8.967 1.00 15.21 C ATOM 888 C CYS A 57 -0.050 3.159 -10.039 1.00 61.44 C ATOM 889 O CYS A 57 1.143 3.091 -9.741 1.00 10.42 O ATOM 890 CB CYS A 57 -1.457 2.063 -8.284 1.00 4.32 C ATOM 891 SG CYS A 57 -2.425 2.245 -6.768 1.00 74.31 S ATOM 0 H CYS A 57 -3.056 3.326 -9.748 1.00 33.00 H new ATOM 0 HA CYS A 57 -0.708 4.076 -8.224 1.00 15.21 H new ATOM 0 HB2 CYS A 57 -2.013 1.440 -8.984 1.00 4.32 H new ATOM 0 HB3 CYS A 57 -0.533 1.534 -8.051 1.00 4.32 H new ATOM 0 HG CYS A 57 -2.472 3.500 -6.431 1.00 74.31 H new ATOM 897 N ARG A 58 -0.494 3.040 -11.286 1.00 74.23 N ATOM 898 CA ARG A 58 0.418 2.816 -12.402 1.00 25.34 C ATOM 899 C ARG A 58 1.310 4.033 -12.628 1.00 22.02 C ATOM 900 O ARG A 58 2.488 3.898 -12.957 1.00 24.51 O ATOM 901 CB ARG A 58 -0.369 2.504 -13.676 1.00 24.20 C ATOM 902 CG ARG A 58 0.033 1.195 -14.335 1.00 62.41 C ATOM 903 CD ARG A 58 0.352 1.387 -15.809 1.00 52.42 C ATOM 904 NE ARG A 58 1.378 2.405 -16.018 1.00 14.20 N ATOM 905 CZ ARG A 58 1.611 2.985 -17.190 1.00 2.41 C ATOM 906 NH1 ARG A 58 0.893 2.650 -18.253 1.00 71.11 N ATOM 907 NH2 ARG A 58 2.563 3.903 -17.301 1.00 63.45 N ATOM 0 H ARG A 58 -1.478 3.095 -11.549 1.00 74.23 H new ATOM 0 HA ARG A 58 1.051 1.964 -12.156 1.00 25.34 H new ATOM 0 HB2 ARG A 58 -1.432 2.469 -13.437 1.00 24.20 H new ATOM 0 HB3 ARG A 58 -0.229 3.317 -14.388 1.00 24.20 H new ATOM 0 HG2 ARG A 58 0.903 0.782 -13.824 1.00 62.41 H new ATOM 0 HG3 ARG A 58 -0.774 0.470 -14.228 1.00 62.41 H new ATOM 0 HD2 ARG A 58 0.688 0.441 -16.234 1.00 52.42 H new ATOM 0 HD3 ARG A 58 -0.555 1.671 -16.342 1.00 52.42 H new ATOM 0 HE ARG A 58 1.947 2.686 -15.220 1.00 14.20 H new ATOM 0 HH11 ARG A 58 0.160 1.946 -18.172 1.00 71.11 H new ATOM 0 HH12 ARG A 58 1.074 3.097 -19.152 1.00 71.11 H new ATOM 0 HH21 ARG A 58 3.117 4.164 -16.485 1.00 63.45 H new ATOM 0 HH22 ARG A 58 2.741 4.347 -18.202 1.00 63.45 H new ATOM 921 N GLN A 59 0.739 5.220 -12.450 1.00 0.05 N ATOM 922 CA GLN A 59 1.482 6.461 -12.637 1.00 70.33 C ATOM 923 C GLN A 59 2.771 6.450 -11.822 1.00 42.25 C ATOM 924 O GLN A 59 3.785 7.009 -12.239 1.00 51.33 O ATOM 925 CB GLN A 59 0.621 7.661 -12.237 1.00 33.35 C ATOM 926 CG GLN A 59 0.612 8.773 -13.274 1.00 44.12 C ATOM 927 CD GLN A 59 1.575 9.893 -12.936 1.00 1.31 C ATOM 928 OE1 GLN A 59 1.833 10.174 -11.765 1.00 14.20 O ATOM 929 NE2 GLN A 59 2.113 10.542 -13.963 1.00 33.50 N ATOM 0 H GLN A 59 -0.235 5.349 -12.177 1.00 0.05 H new ATOM 0 HA GLN A 59 1.741 6.545 -13.692 1.00 70.33 H new ATOM 0 HB2 GLN A 59 -0.402 7.324 -12.068 1.00 33.35 H new ATOM 0 HB3 GLN A 59 0.985 8.060 -11.291 1.00 33.35 H new ATOM 0 HG2 GLN A 59 0.871 8.358 -14.248 1.00 44.12 H new ATOM 0 HG3 GLN A 59 -0.396 9.179 -13.358 1.00 44.12 H new ATOM 0 HE21 GLN A 59 1.871 10.276 -14.918 1.00 33.50 H new ATOM 0 HE22 GLN A 59 2.768 11.306 -13.797 1.00 33.50 H new ATOM 938 N ILE A 60 2.723 5.812 -10.656 1.00 4.13 N ATOM 939 CA ILE A 60 3.887 5.729 -9.783 1.00 2.41 C ATOM 940 C ILE A 60 4.989 4.886 -10.415 1.00 2.21 C ATOM 941 O ILE A 60 6.051 5.398 -10.773 1.00 51.11 O ATOM 942 CB ILE A 60 3.521 5.132 -8.412 1.00 11.14 C ATOM 943 CG1 ILE A 60 2.318 5.867 -7.815 1.00 14.44 C ATOM 944 CG2 ILE A 60 4.712 5.201 -7.469 1.00 41.04 C ATOM 945 CD1 ILE A 60 1.692 5.148 -6.641 1.00 1.14 C ATOM 0 H ILE A 60 1.891 5.346 -10.295 1.00 4.13 H new ATOM 0 HA ILE A 60 4.248 6.748 -9.641 1.00 2.41 H new ATOM 0 HB ILE A 60 3.251 4.085 -8.549 1.00 11.14 H new ATOM 0 HG12 ILE A 60 2.631 6.861 -7.496 1.00 14.44 H new ATOM 0 HG13 ILE A 60 1.564 6.004 -8.591 1.00 14.44 H new ATOM 0 HG21 ILE A 60 4.437 4.775 -6.504 1.00 41.04 H new ATOM 0 HG22 ILE A 60 5.544 4.637 -7.891 1.00 41.04 H new ATOM 0 HG23 ILE A 60 5.010 6.241 -7.335 1.00 41.04 H new ATOM 0 HD11 ILE A 60 0.846 5.726 -6.269 1.00 1.14 H new ATOM 0 HD12 ILE A 60 1.347 4.164 -6.959 1.00 1.14 H new ATOM 0 HD13 ILE A 60 2.431 5.035 -5.848 1.00 1.14 H new ATOM 957 N LEU A 61 4.730 3.591 -10.551 1.00 33.40 N ATOM 958 CA LEU A 61 5.700 2.675 -11.143 1.00 60.53 C ATOM 959 C LEU A 61 6.175 3.186 -12.498 1.00 33.52 C ATOM 960 O LEU A 61 7.317 2.953 -12.895 1.00 3.32 O ATOM 961 CB LEU A 61 5.086 1.281 -11.296 1.00 13.15 C ATOM 962 CG LEU A 61 4.480 0.671 -10.032 1.00 40.20 C ATOM 963 CD1 LEU A 61 3.310 -0.234 -10.385 1.00 43.03 C ATOM 964 CD2 LEU A 61 5.536 -0.099 -9.253 1.00 51.02 C ATOM 0 H LEU A 61 3.857 3.151 -10.260 1.00 33.40 H new ATOM 0 HA LEU A 61 6.561 2.615 -10.477 1.00 60.53 H new ATOM 0 HB2 LEU A 61 4.310 1.330 -12.060 1.00 13.15 H new ATOM 0 HB3 LEU A 61 5.857 0.606 -11.668 1.00 13.15 H new ATOM 0 HG LEU A 61 4.110 1.480 -9.402 1.00 40.20 H new ATOM 0 HD11 LEU A 61 2.891 -0.659 -9.473 1.00 43.03 H new ATOM 0 HD12 LEU A 61 2.544 0.346 -10.900 1.00 43.03 H new ATOM 0 HD13 LEU A 61 3.655 -1.038 -11.035 1.00 43.03 H new ATOM 0 HD21 LEU A 61 5.087 -0.526 -8.356 1.00 51.02 H new ATOM 0 HD22 LEU A 61 5.936 -0.899 -9.876 1.00 51.02 H new ATOM 0 HD23 LEU A 61 6.343 0.576 -8.968 1.00 51.02 H new ATOM 976 N GLY A 62 5.293 3.886 -13.204 1.00 60.22 N ATOM 977 CA GLY A 62 5.643 4.421 -14.507 1.00 3.30 C ATOM 978 C GLY A 62 6.650 5.550 -14.418 1.00 74.11 C ATOM 979 O GLY A 62 7.526 5.676 -15.274 1.00 73.02 O ATOM 0 H GLY A 62 4.342 4.092 -12.897 1.00 60.22 H new ATOM 0 HA2 GLY A 62 6.051 3.622 -15.127 1.00 3.30 H new ATOM 0 HA3 GLY A 62 4.741 4.781 -15.003 1.00 3.30 H new ATOM 983 N GLN A 63 6.525 6.374 -13.382 1.00 23.01 N ATOM 984 CA GLN A 63 7.432 7.499 -13.188 1.00 4.53 C ATOM 985 C GLN A 63 8.826 7.015 -12.802 1.00 24.35 C ATOM 986 O GLN A 63 9.831 7.524 -13.300 1.00 31.32 O ATOM 987 CB GLN A 63 6.889 8.438 -12.109 1.00 22.52 C ATOM 988 CG GLN A 63 7.621 9.768 -12.036 1.00 64.12 C ATOM 989 CD GLN A 63 8.544 9.861 -10.838 1.00 35.13 C ATOM 990 OE1 GLN A 63 8.285 9.266 -9.792 1.00 44.33 O ATOM 991 NE2 GLN A 63 9.631 10.609 -10.985 1.00 53.35 N ATOM 0 H GLN A 63 5.805 6.284 -12.665 1.00 23.01 H new ATOM 0 HA GLN A 63 7.504 8.042 -14.131 1.00 4.53 H new ATOM 0 HB2 GLN A 63 5.832 8.624 -12.300 1.00 22.52 H new ATOM 0 HB3 GLN A 63 6.956 7.942 -11.141 1.00 22.52 H new ATOM 0 HG2 GLN A 63 8.201 9.910 -12.948 1.00 64.12 H new ATOM 0 HG3 GLN A 63 6.892 10.577 -11.992 1.00 64.12 H new ATOM 0 HE21 GLN A 63 9.807 11.085 -11.870 1.00 53.35 H new ATOM 0 HE22 GLN A 63 10.290 10.708 -10.213 1.00 53.35 H new ATOM 1000 N LEU A 64 8.879 6.030 -11.913 1.00 33.53 N ATOM 1001 CA LEU A 64 10.150 5.476 -11.460 1.00 11.03 C ATOM 1002 C LEU A 64 10.673 4.435 -12.446 1.00 40.03 C ATOM 1003 O LEU A 64 11.845 4.062 -12.404 1.00 14.54 O ATOM 1004 CB LEU A 64 9.991 4.849 -10.075 1.00 75.43 C ATOM 1005 CG LEU A 64 9.180 5.657 -9.061 1.00 74.21 C ATOM 1006 CD1 LEU A 64 8.724 4.770 -7.913 1.00 54.20 C ATOM 1007 CD2 LEU A 64 9.997 6.830 -8.539 1.00 32.10 C ATOM 0 H LEU A 64 8.057 5.598 -11.491 1.00 33.53 H new ATOM 0 HA LEU A 64 10.873 6.290 -11.402 1.00 11.03 H new ATOM 0 HB2 LEU A 64 9.520 3.873 -10.192 1.00 75.43 H new ATOM 0 HB3 LEU A 64 10.984 4.676 -9.660 1.00 75.43 H new ATOM 0 HG LEU A 64 8.295 6.050 -9.562 1.00 74.21 H new ATOM 0 HD11 LEU A 64 8.149 5.363 -7.202 1.00 54.20 H new ATOM 0 HD12 LEU A 64 8.101 3.964 -8.301 1.00 54.20 H new ATOM 0 HD13 LEU A 64 9.595 4.347 -7.412 1.00 54.20 H new ATOM 0 HD21 LEU A 64 9.405 7.394 -7.819 1.00 32.10 H new ATOM 0 HD22 LEU A 64 10.900 6.458 -8.054 1.00 32.10 H new ATOM 0 HD23 LEU A 64 10.273 7.480 -9.370 1.00 32.10 H new ATOM 1019 N GLN A 65 9.796 3.972 -13.330 1.00 11.13 N ATOM 1020 CA GLN A 65 10.170 2.975 -14.327 1.00 63.34 C ATOM 1021 C GLN A 65 11.423 3.404 -15.082 1.00 40.13 C ATOM 1022 O GLN A 65 12.444 2.717 -15.080 1.00 11.04 O ATOM 1023 CB GLN A 65 9.020 2.749 -15.309 1.00 73.53 C ATOM 1024 CG GLN A 65 8.564 1.301 -15.389 1.00 34.05 C ATOM 1025 CD GLN A 65 9.024 0.613 -16.660 1.00 10.33 C ATOM 1026 OE1 GLN A 65 9.646 -0.448 -16.615 1.00 24.13 O ATOM 1027 NE2 GLN A 65 8.721 1.217 -17.803 1.00 14.33 N ATOM 0 H GLN A 65 8.822 4.271 -13.377 1.00 11.13 H new ATOM 0 HA GLN A 65 10.383 2.041 -13.808 1.00 63.34 H new ATOM 0 HB2 GLN A 65 8.175 3.372 -15.015 1.00 73.53 H new ATOM 0 HB3 GLN A 65 9.330 3.079 -16.301 1.00 73.53 H new ATOM 0 HG2 GLN A 65 8.947 0.755 -14.526 1.00 34.05 H new ATOM 0 HG3 GLN A 65 7.476 1.263 -15.333 1.00 34.05 H new ATOM 0 HE21 GLN A 65 8.204 2.096 -17.794 1.00 14.33 H new ATOM 0 HE22 GLN A 65 9.006 0.802 -18.690 1.00 14.33 H new ATOM 1036 N PRO A 66 11.346 4.569 -15.743 1.00 34.51 N ATOM 1037 CA PRO A 66 12.465 5.116 -16.516 1.00 73.52 C ATOM 1038 C PRO A 66 13.610 5.586 -15.625 1.00 41.44 C ATOM 1039 O PRO A 66 14.634 6.064 -16.112 1.00 4.34 O ATOM 1040 CB PRO A 66 11.840 6.302 -17.253 1.00 12.14 C ATOM 1041 CG PRO A 66 10.682 6.707 -16.409 1.00 62.51 C ATOM 1042 CD PRO A 66 10.160 5.440 -15.788 1.00 11.34 C ATOM 0 HA PRO A 66 12.907 4.370 -17.177 1.00 73.52 H new ATOM 0 HB2 PRO A 66 12.553 7.119 -17.364 1.00 12.14 H new ATOM 0 HB3 PRO A 66 11.519 6.020 -18.256 1.00 12.14 H new ATOM 0 HG2 PRO A 66 10.987 7.420 -15.643 1.00 62.51 H new ATOM 0 HG3 PRO A 66 9.913 7.193 -17.009 1.00 62.51 H new ATOM 0 HD2 PRO A 66 9.754 5.618 -14.792 1.00 11.34 H new ATOM 0 HD3 PRO A 66 9.361 5.000 -16.384 1.00 11.34 H new ATOM 1050 N SER A 67 13.430 5.446 -14.315 1.00 63.52 N ATOM 1051 CA SER A 67 14.446 5.860 -13.355 1.00 34.22 C ATOM 1052 C SER A 67 15.055 4.650 -12.652 1.00 22.23 C ATOM 1053 O SER A 67 16.080 4.759 -11.977 1.00 21.33 O ATOM 1054 CB SER A 67 13.844 6.814 -12.321 1.00 31.14 C ATOM 1055 OG SER A 67 13.382 8.004 -12.936 1.00 24.21 O ATOM 0 H SER A 67 12.590 5.049 -13.895 1.00 63.52 H new ATOM 0 HA SER A 67 15.235 6.378 -13.900 1.00 34.22 H new ATOM 0 HB2 SER A 67 13.019 6.323 -11.805 1.00 31.14 H new ATOM 0 HB3 SER A 67 14.592 7.057 -11.566 1.00 31.14 H new ATOM 0 HG SER A 67 13.000 8.597 -12.256 1.00 24.21 H new ATOM 1061 N LEU A 68 14.416 3.496 -12.815 1.00 31.55 N ATOM 1062 CA LEU A 68 14.893 2.263 -12.197 1.00 24.04 C ATOM 1063 C LEU A 68 16.357 2.013 -12.543 1.00 32.44 C ATOM 1064 O LEU A 68 17.056 1.287 -11.835 1.00 61.13 O ATOM 1065 CB LEU A 68 14.039 1.078 -12.652 1.00 11.44 C ATOM 1066 CG LEU A 68 12.694 0.909 -11.945 1.00 54.32 C ATOM 1067 CD1 LEU A 68 11.853 -0.148 -12.643 1.00 74.01 C ATOM 1068 CD2 LEU A 68 12.902 0.549 -10.482 1.00 71.24 C ATOM 0 H LEU A 68 13.567 3.388 -13.370 1.00 31.55 H new ATOM 0 HA LEU A 68 14.807 2.370 -11.116 1.00 24.04 H new ATOM 0 HB2 LEU A 68 13.854 1.178 -13.722 1.00 11.44 H new ATOM 0 HB3 LEU A 68 14.617 0.165 -12.513 1.00 11.44 H new ATOM 0 HG LEU A 68 12.159 1.857 -11.992 1.00 54.32 H new ATOM 0 HD11 LEU A 68 10.900 -0.254 -12.126 1.00 74.01 H new ATOM 0 HD12 LEU A 68 11.674 0.153 -13.675 1.00 74.01 H new ATOM 0 HD13 LEU A 68 12.382 -1.101 -12.629 1.00 74.01 H new ATOM 0 HD21 LEU A 68 11.934 0.433 -9.995 1.00 71.24 H new ATOM 0 HD22 LEU A 68 13.458 -0.386 -10.413 1.00 71.24 H new ATOM 0 HD23 LEU A 68 13.464 1.342 -9.988 1.00 71.24 H new ATOM 1080 N GLN A 69 16.815 2.618 -13.634 1.00 14.23 N ATOM 1081 CA GLN A 69 18.197 2.461 -14.071 1.00 71.50 C ATOM 1082 C GLN A 69 19.074 3.579 -13.518 1.00 72.32 C ATOM 1083 O GLN A 69 20.194 3.339 -13.066 1.00 62.15 O ATOM 1084 CB GLN A 69 18.272 2.447 -15.599 1.00 32.43 C ATOM 1085 CG GLN A 69 19.652 2.105 -16.138 1.00 41.53 C ATOM 1086 CD GLN A 69 19.821 0.623 -16.412 1.00 2.21 C ATOM 1087 OE1 GLN A 69 19.211 -0.216 -15.748 1.00 54.51 O ATOM 1088 NE2 GLN A 69 20.651 0.294 -17.394 1.00 2.40 N ATOM 0 H GLN A 69 16.249 3.221 -14.231 1.00 14.23 H new ATOM 0 HA GLN A 69 18.567 1.510 -13.687 1.00 71.50 H new ATOM 0 HB2 GLN A 69 17.552 1.724 -15.983 1.00 32.43 H new ATOM 0 HB3 GLN A 69 17.975 3.425 -15.978 1.00 32.43 H new ATOM 0 HG2 GLN A 69 19.827 2.663 -17.058 1.00 41.53 H new ATOM 0 HG3 GLN A 69 20.408 2.427 -15.421 1.00 41.53 H new ATOM 0 HE21 GLN A 69 21.135 1.023 -17.918 1.00 2.40 H new ATOM 0 HE22 GLN A 69 20.804 -0.688 -17.625 1.00 2.40 H new ATOM 1097 N THR A 70 18.558 4.803 -13.556 1.00 0.43 N ATOM 1098 CA THR A 70 19.294 5.959 -13.060 1.00 31.33 C ATOM 1099 C THR A 70 19.350 5.964 -11.537 1.00 64.44 C ATOM 1100 O THR A 70 20.427 6.020 -10.945 1.00 45.34 O ATOM 1101 CB THR A 70 18.662 7.278 -13.542 1.00 3.14 C ATOM 1102 OG1 THR A 70 18.194 7.134 -14.888 1.00 33.34 O ATOM 1103 CG2 THR A 70 19.665 8.419 -13.469 1.00 21.41 C ATOM 0 H THR A 70 17.632 5.020 -13.926 1.00 0.43 H new ATOM 0 HA THR A 70 20.306 5.882 -13.458 1.00 31.33 H new ATOM 0 HB THR A 70 17.822 7.512 -12.888 1.00 3.14 H new ATOM 0 HG1 THR A 70 17.792 7.976 -15.186 1.00 33.34 H new ATOM 0 HG21 THR A 70 19.195 9.340 -13.815 1.00 21.41 H new ATOM 0 HG22 THR A 70 19.997 8.546 -12.439 1.00 21.41 H new ATOM 0 HG23 THR A 70 20.523 8.190 -14.101 1.00 21.41 H new ATOM 1111 N GLY A 71 18.181 5.902 -10.906 1.00 4.02 N ATOM 1112 CA GLY A 71 18.118 5.899 -9.456 1.00 33.42 C ATOM 1113 C GLY A 71 18.966 4.802 -8.842 1.00 52.32 C ATOM 1114 O GLY A 71 19.579 4.009 -9.556 1.00 11.23 O ATOM 0 H GLY A 71 17.276 5.854 -11.374 1.00 4.02 H new ATOM 0 HA2 GLY A 71 18.451 6.866 -9.079 1.00 33.42 H new ATOM 0 HA3 GLY A 71 17.082 5.773 -9.140 1.00 33.42 H new ATOM 1118 N SER A 72 19.004 4.759 -7.514 1.00 40.32 N ATOM 1119 CA SER A 72 19.788 3.756 -6.804 1.00 41.13 C ATOM 1120 C SER A 72 18.890 2.645 -6.267 1.00 1.42 C ATOM 1121 O SER A 72 17.746 2.497 -6.694 1.00 13.43 O ATOM 1122 CB SER A 72 20.562 4.403 -5.653 1.00 3.22 C ATOM 1123 OG SER A 72 19.701 4.708 -4.569 1.00 51.11 O ATOM 0 H SER A 72 18.501 5.407 -6.908 1.00 40.32 H new ATOM 0 HA SER A 72 20.496 3.319 -7.508 1.00 41.13 H new ATOM 0 HB2 SER A 72 21.351 3.730 -5.317 1.00 3.22 H new ATOM 0 HB3 SER A 72 21.048 5.314 -6.003 1.00 3.22 H new ATOM 0 HG SER A 72 20.219 5.119 -3.845 1.00 51.11 H new ATOM 1129 N GLU A 73 19.419 1.867 -5.328 1.00 41.41 N ATOM 1130 CA GLU A 73 18.666 0.769 -4.733 1.00 61.31 C ATOM 1131 C GLU A 73 17.410 1.285 -4.038 1.00 23.13 C ATOM 1132 O GLU A 73 16.494 0.517 -3.740 1.00 13.50 O ATOM 1133 CB GLU A 73 19.538 0.006 -3.734 1.00 51.10 C ATOM 1134 CG GLU A 73 20.634 -0.818 -4.388 1.00 40.32 C ATOM 1135 CD GLU A 73 22.023 -0.297 -4.072 1.00 44.30 C ATOM 1136 OE1 GLU A 73 22.488 -0.502 -2.931 1.00 45.13 O ATOM 1137 OE2 GLU A 73 22.644 0.316 -4.964 1.00 32.34 O ATOM 0 H GLU A 73 20.365 1.976 -4.963 1.00 41.41 H new ATOM 0 HA GLU A 73 18.366 0.092 -5.533 1.00 61.31 H new ATOM 0 HB2 GLU A 73 19.992 0.717 -3.044 1.00 51.10 H new ATOM 0 HB3 GLU A 73 18.904 -0.653 -3.141 1.00 51.10 H new ATOM 0 HG2 GLU A 73 20.554 -1.853 -4.055 1.00 40.32 H new ATOM 0 HG3 GLU A 73 20.487 -0.819 -5.468 1.00 40.32 H new ATOM 1144 N GLU A 74 17.373 2.589 -3.784 1.00 74.15 N ATOM 1145 CA GLU A 74 16.230 3.206 -3.122 1.00 3.25 C ATOM 1146 C GLU A 74 15.006 3.200 -4.034 1.00 44.23 C ATOM 1147 O GLU A 74 13.868 3.138 -3.564 1.00 14.15 O ATOM 1148 CB GLU A 74 16.565 4.642 -2.711 1.00 64.24 C ATOM 1149 CG GLU A 74 17.326 4.737 -1.398 1.00 24.41 C ATOM 1150 CD GLU A 74 17.959 6.098 -1.189 1.00 63.33 C ATOM 1151 OE1 GLU A 74 17.208 7.084 -1.036 1.00 64.51 O ATOM 1152 OE2 GLU A 74 19.205 6.177 -1.177 1.00 1.13 O ATOM 0 H GLU A 74 18.121 3.238 -4.027 1.00 74.15 H new ATOM 0 HA GLU A 74 16.001 2.624 -2.230 1.00 3.25 H new ATOM 0 HB2 GLU A 74 17.157 5.108 -3.499 1.00 64.24 H new ATOM 0 HB3 GLU A 74 15.640 5.212 -2.627 1.00 64.24 H new ATOM 0 HG2 GLU A 74 16.647 4.526 -0.572 1.00 24.41 H new ATOM 0 HG3 GLU A 74 18.102 3.972 -1.376 1.00 24.41 H new ATOM 1159 N LEU A 75 15.247 3.264 -5.339 1.00 53.31 N ATOM 1160 CA LEU A 75 14.166 3.267 -6.318 1.00 64.42 C ATOM 1161 C LEU A 75 13.674 1.849 -6.589 1.00 21.33 C ATOM 1162 O LEU A 75 12.551 1.648 -7.051 1.00 3.04 O ATOM 1163 CB LEU A 75 14.632 3.915 -7.622 1.00 32.50 C ATOM 1164 CG LEU A 75 13.574 4.700 -8.398 1.00 61.41 C ATOM 1165 CD1 LEU A 75 13.861 6.191 -8.332 1.00 51.43 C ATOM 1166 CD2 LEU A 75 13.516 4.230 -9.844 1.00 23.02 C ATOM 0 H LEU A 75 16.182 3.315 -5.744 1.00 53.31 H new ATOM 0 HA LEU A 75 13.340 3.847 -5.908 1.00 64.42 H new ATOM 0 HB2 LEU A 75 15.460 4.587 -7.395 1.00 32.50 H new ATOM 0 HB3 LEU A 75 15.025 3.134 -8.272 1.00 32.50 H new ATOM 0 HG LEU A 75 12.603 4.517 -7.938 1.00 61.41 H new ATOM 0 HD11 LEU A 75 13.098 6.733 -8.890 1.00 51.43 H new ATOM 0 HD12 LEU A 75 13.851 6.518 -7.292 1.00 51.43 H new ATOM 0 HD13 LEU A 75 14.840 6.393 -8.767 1.00 51.43 H new ATOM 0 HD21 LEU A 75 12.758 4.799 -10.382 1.00 23.02 H new ATOM 0 HD22 LEU A 75 14.487 4.383 -10.316 1.00 23.02 H new ATOM 0 HD23 LEU A 75 13.262 3.170 -9.872 1.00 23.02 H new ATOM 1178 N ARG A 76 14.523 0.867 -6.297 1.00 5.40 N ATOM 1179 CA ARG A 76 14.174 -0.532 -6.508 1.00 10.23 C ATOM 1180 C ARG A 76 13.319 -1.059 -5.360 1.00 53.04 C ATOM 1181 O ARG A 76 12.488 -1.947 -5.548 1.00 22.11 O ATOM 1182 CB ARG A 76 15.440 -1.380 -6.648 1.00 51.50 C ATOM 1183 CG ARG A 76 15.837 -1.649 -8.090 1.00 14.01 C ATOM 1184 CD ARG A 76 17.151 -2.409 -8.173 1.00 71.32 C ATOM 1185 NE ARG A 76 17.100 -3.484 -9.161 1.00 2.41 N ATOM 1186 CZ ARG A 76 18.078 -4.364 -9.340 1.00 14.14 C ATOM 1187 NH1 ARG A 76 19.178 -4.298 -8.602 1.00 23.43 N ATOM 1188 NH2 ARG A 76 17.958 -5.314 -10.260 1.00 13.42 N ATOM 0 H ARG A 76 15.457 1.016 -5.914 1.00 5.40 H new ATOM 0 HA ARG A 76 13.595 -0.601 -7.429 1.00 10.23 H new ATOM 0 HB2 ARG A 76 16.263 -0.875 -6.142 1.00 51.50 H new ATOM 0 HB3 ARG A 76 15.288 -2.331 -6.138 1.00 51.50 H new ATOM 0 HG2 ARG A 76 15.052 -2.222 -8.584 1.00 14.01 H new ATOM 0 HG3 ARG A 76 15.927 -0.704 -8.626 1.00 14.01 H new ATOM 0 HD2 ARG A 76 17.954 -1.718 -8.430 1.00 71.32 H new ATOM 0 HD3 ARG A 76 17.391 -2.826 -7.195 1.00 71.32 H new ATOM 0 HE ARG A 76 16.268 -3.563 -9.745 1.00 2.41 H new ATOM 0 HH11 ARG A 76 19.274 -3.570 -7.894 1.00 23.43 H new ATOM 0 HH12 ARG A 76 19.927 -4.976 -8.742 1.00 23.43 H new ATOM 0 HH21 ARG A 76 17.114 -5.368 -10.830 1.00 13.42 H new ATOM 0 HH22 ARG A 76 18.710 -5.989 -10.397 1.00 13.42 H new ATOM 1202 N SER A 77 13.531 -0.507 -4.170 1.00 40.12 N ATOM 1203 CA SER A 77 12.784 -0.924 -2.989 1.00 4.01 C ATOM 1204 C SER A 77 11.341 -0.433 -3.057 1.00 14.01 C ATOM 1205 O SER A 77 10.427 -1.081 -2.545 1.00 53.32 O ATOM 1206 CB SER A 77 13.455 -0.394 -1.720 1.00 30.35 C ATOM 1207 OG SER A 77 14.534 -1.225 -1.329 1.00 64.44 O ATOM 0 H SER A 77 14.214 0.231 -3.998 1.00 40.12 H new ATOM 0 HA SER A 77 12.778 -2.014 -2.960 1.00 4.01 H new ATOM 0 HB2 SER A 77 13.816 0.620 -1.892 1.00 30.35 H new ATOM 0 HB3 SER A 77 12.723 -0.339 -0.914 1.00 30.35 H new ATOM 0 HG SER A 77 14.947 -0.864 -0.517 1.00 64.44 H new ATOM 1213 N LEU A 78 11.144 0.717 -3.694 1.00 63.42 N ATOM 1214 CA LEU A 78 9.812 1.297 -3.831 1.00 54.34 C ATOM 1215 C LEU A 78 8.997 0.548 -4.880 1.00 55.35 C ATOM 1216 O LEU A 78 7.941 -0.008 -4.579 1.00 41.23 O ATOM 1217 CB LEU A 78 9.915 2.776 -4.207 1.00 13.02 C ATOM 1218 CG LEU A 78 9.535 3.776 -3.115 1.00 23.23 C ATOM 1219 CD1 LEU A 78 8.165 3.446 -2.543 1.00 2.03 C ATOM 1220 CD2 LEU A 78 10.586 3.787 -2.014 1.00 1.34 C ATOM 0 H LEU A 78 11.889 1.266 -4.123 1.00 63.42 H new ATOM 0 HA LEU A 78 9.303 1.207 -2.871 1.00 54.34 H new ATOM 0 HB2 LEU A 78 10.940 2.980 -4.518 1.00 13.02 H new ATOM 0 HB3 LEU A 78 9.278 2.955 -5.073 1.00 13.02 H new ATOM 0 HG LEU A 78 9.491 4.771 -3.558 1.00 23.23 H new ATOM 0 HD11 LEU A 78 7.911 4.168 -1.767 1.00 2.03 H new ATOM 0 HD12 LEU A 78 7.419 3.489 -3.337 1.00 2.03 H new ATOM 0 HD13 LEU A 78 8.181 2.444 -2.115 1.00 2.03 H new ATOM 0 HD21 LEU A 78 10.300 4.504 -1.245 1.00 1.34 H new ATOM 0 HD22 LEU A 78 10.661 2.793 -1.573 1.00 1.34 H new ATOM 0 HD23 LEU A 78 11.551 4.072 -2.435 1.00 1.34 H new ATOM 1232 N TYR A 79 9.496 0.536 -6.110 1.00 22.15 N ATOM 1233 CA TYR A 79 8.814 -0.145 -7.205 1.00 41.40 C ATOM 1234 C TYR A 79 8.267 -1.494 -6.750 1.00 44.00 C ATOM 1235 O TYR A 79 7.141 -1.864 -7.083 1.00 43.31 O ATOM 1236 CB TYR A 79 9.768 -0.340 -8.385 1.00 22.01 C ATOM 1237 CG TYR A 79 9.062 -0.585 -9.699 1.00 12.15 C ATOM 1238 CD1 TYR A 79 8.410 -1.787 -9.948 1.00 43.41 C ATOM 1239 CD2 TYR A 79 9.047 0.386 -10.693 1.00 61.30 C ATOM 1240 CE1 TYR A 79 7.765 -2.014 -11.147 1.00 4.42 C ATOM 1241 CE2 TYR A 79 8.403 0.168 -11.896 1.00 63.02 C ATOM 1242 CZ TYR A 79 7.763 -1.034 -12.119 1.00 71.43 C ATOM 1243 OH TYR A 79 7.120 -1.257 -13.314 1.00 33.10 O ATOM 0 H TYR A 79 10.370 0.990 -6.375 1.00 22.15 H new ATOM 0 HA TYR A 79 7.977 0.478 -7.522 1.00 41.40 H new ATOM 0 HB2 TYR A 79 10.400 0.543 -8.481 1.00 22.01 H new ATOM 0 HB3 TYR A 79 10.427 -1.182 -8.174 1.00 22.01 H new ATOM 0 HD1 TYR A 79 8.408 -2.557 -9.190 1.00 43.41 H new ATOM 0 HD2 TYR A 79 9.548 1.328 -10.522 1.00 61.30 H new ATOM 0 HE1 TYR A 79 7.264 -2.954 -11.324 1.00 4.42 H new ATOM 0 HE2 TYR A 79 8.401 0.934 -12.657 1.00 63.02 H new ATOM 0 HH TYR A 79 7.002 -0.406 -13.786 1.00 33.10 H new ATOM 1253 N ASN A 80 9.071 -2.225 -5.986 1.00 21.04 N ATOM 1254 CA ASN A 80 8.669 -3.534 -5.484 1.00 2.21 C ATOM 1255 C ASN A 80 7.334 -3.447 -4.750 1.00 34.33 C ATOM 1256 O ASN A 80 6.339 -4.035 -5.176 1.00 60.33 O ATOM 1257 CB ASN A 80 9.742 -4.098 -4.550 1.00 3.34 C ATOM 1258 CG ASN A 80 10.851 -4.805 -5.306 1.00 63.05 C ATOM 1259 OD1 ASN A 80 11.002 -4.632 -6.514 1.00 11.51 O ATOM 1260 ND2 ASN A 80 11.631 -5.609 -4.592 1.00 15.13 N ATOM 0 H ASN A 80 10.006 -1.933 -5.700 1.00 21.04 H new ATOM 0 HA ASN A 80 8.553 -4.203 -6.337 1.00 2.21 H new ATOM 0 HB2 ASN A 80 10.168 -3.287 -3.959 1.00 3.34 H new ATOM 0 HB3 ASN A 80 9.281 -4.795 -3.850 1.00 3.34 H new ATOM 0 HD21 ASN A 80 12.393 -6.114 -5.044 1.00 15.13 H new ATOM 0 HD22 ASN A 80 11.468 -5.721 -3.591 1.00 15.13 H new ATOM 1267 N THR A 81 7.319 -2.710 -3.645 1.00 60.24 N ATOM 1268 CA THR A 81 6.109 -2.547 -2.850 1.00 43.43 C ATOM 1269 C THR A 81 4.980 -1.952 -3.684 1.00 23.34 C ATOM 1270 O THR A 81 3.899 -2.533 -3.788 1.00 71.23 O ATOM 1271 CB THR A 81 6.357 -1.645 -1.625 1.00 24.25 C ATOM 1272 OG1 THR A 81 7.321 -2.252 -0.758 1.00 20.41 O ATOM 1273 CG2 THR A 81 5.063 -1.402 -0.863 1.00 13.30 C ATOM 0 H THR A 81 8.133 -2.215 -3.280 1.00 60.24 H new ATOM 0 HA THR A 81 5.820 -3.541 -2.507 1.00 43.43 H new ATOM 0 HB THR A 81 6.739 -0.686 -1.977 1.00 24.25 H new ATOM 0 HG1 THR A 81 7.475 -1.672 0.017 1.00 20.41 H new ATOM 0 HG21 THR A 81 5.262 -0.763 -0.003 1.00 13.30 H new ATOM 0 HG22 THR A 81 4.341 -0.914 -1.518 1.00 13.30 H new ATOM 0 HG23 THR A 81 4.657 -2.354 -0.522 1.00 13.30 H new ATOM 1281 N ILE A 82 5.238 -0.792 -4.278 1.00 41.41 N ATOM 1282 CA ILE A 82 4.243 -0.120 -5.105 1.00 22.31 C ATOM 1283 C ILE A 82 3.551 -1.105 -6.042 1.00 71.21 C ATOM 1284 O ILE A 82 2.330 -1.077 -6.196 1.00 51.03 O ATOM 1285 CB ILE A 82 4.875 1.008 -5.941 1.00 35.00 C ATOM 1286 CG1 ILE A 82 5.515 2.054 -5.026 1.00 64.22 C ATOM 1287 CG2 ILE A 82 3.829 1.651 -6.840 1.00 51.45 C ATOM 1288 CD1 ILE A 82 6.371 3.060 -5.763 1.00 43.35 C ATOM 0 H ILE A 82 6.127 -0.298 -4.202 1.00 41.41 H new ATOM 0 HA ILE A 82 3.507 0.311 -4.426 1.00 22.31 H new ATOM 0 HB ILE A 82 5.654 0.580 -6.572 1.00 35.00 H new ATOM 0 HG12 ILE A 82 4.729 2.583 -4.488 1.00 64.22 H new ATOM 0 HG13 ILE A 82 6.126 1.547 -4.280 1.00 64.22 H new ATOM 0 HG21 ILE A 82 4.291 2.446 -7.425 1.00 51.45 H new ATOM 0 HG22 ILE A 82 3.416 0.899 -7.513 1.00 51.45 H new ATOM 0 HG23 ILE A 82 3.030 2.068 -6.227 1.00 51.45 H new ATOM 0 HD11 ILE A 82 6.792 3.770 -5.051 1.00 43.35 H new ATOM 0 HD12 ILE A 82 7.179 2.541 -6.279 1.00 43.35 H new ATOM 0 HD13 ILE A 82 5.760 3.594 -6.490 1.00 43.35 H new ATOM 1300 N ALA A 83 4.339 -1.975 -6.663 1.00 23.54 N ATOM 1301 CA ALA A 83 3.803 -2.972 -7.581 1.00 5.25 C ATOM 1302 C ALA A 83 2.737 -3.826 -6.902 1.00 33.14 C ATOM 1303 O ALA A 83 1.652 -4.033 -7.448 1.00 72.24 O ATOM 1304 CB ALA A 83 4.922 -3.850 -8.121 1.00 62.03 C ATOM 0 H ALA A 83 5.352 -2.010 -6.547 1.00 23.54 H new ATOM 0 HA ALA A 83 3.335 -2.448 -8.414 1.00 5.25 H new ATOM 0 HB1 ALA A 83 4.506 -4.590 -8.805 1.00 62.03 H new ATOM 0 HB2 ALA A 83 5.646 -3.232 -8.652 1.00 62.03 H new ATOM 0 HB3 ALA A 83 5.417 -4.359 -7.294 1.00 62.03 H new ATOM 1310 N VAL A 84 3.053 -4.323 -5.710 1.00 14.45 N ATOM 1311 CA VAL A 84 2.123 -5.155 -4.957 1.00 13.21 C ATOM 1312 C VAL A 84 0.755 -4.491 -4.850 1.00 63.31 C ATOM 1313 O VAL A 84 -0.278 -5.148 -4.987 1.00 13.23 O ATOM 1314 CB VAL A 84 2.653 -5.446 -3.540 1.00 43.20 C ATOM 1315 CG1 VAL A 84 1.715 -6.391 -2.804 1.00 31.23 C ATOM 1316 CG2 VAL A 84 4.059 -6.021 -3.605 1.00 35.31 C ATOM 0 H VAL A 84 3.947 -4.163 -5.245 1.00 14.45 H new ATOM 0 HA VAL A 84 2.026 -6.095 -5.501 1.00 13.21 H new ATOM 0 HB VAL A 84 2.694 -4.508 -2.986 1.00 43.20 H new ATOM 0 HG11 VAL A 84 2.105 -6.586 -1.805 1.00 31.23 H new ATOM 0 HG12 VAL A 84 0.728 -5.936 -2.726 1.00 31.23 H new ATOM 0 HG13 VAL A 84 1.640 -7.330 -3.353 1.00 31.23 H new ATOM 0 HG21 VAL A 84 4.418 -6.220 -2.595 1.00 35.31 H new ATOM 0 HG22 VAL A 84 4.046 -6.950 -4.176 1.00 35.31 H new ATOM 0 HG23 VAL A 84 4.723 -5.306 -4.091 1.00 35.31 H new ATOM 1326 N LEU A 85 0.754 -3.185 -4.605 1.00 72.53 N ATOM 1327 CA LEU A 85 -0.488 -2.431 -4.480 1.00 13.31 C ATOM 1328 C LEU A 85 -1.354 -2.599 -5.724 1.00 43.11 C ATOM 1329 O LEU A 85 -2.488 -3.074 -5.644 1.00 32.41 O ATOM 1330 CB LEU A 85 -0.186 -0.948 -4.251 1.00 65.21 C ATOM 1331 CG LEU A 85 -1.401 -0.035 -4.083 1.00 0.20 C ATOM 1332 CD1 LEU A 85 -2.291 -0.531 -2.953 1.00 12.11 C ATOM 1333 CD2 LEU A 85 -0.959 1.398 -3.826 1.00 74.32 C ATOM 0 H LEU A 85 1.600 -2.627 -4.489 1.00 72.53 H new ATOM 0 HA LEU A 85 -1.037 -2.821 -3.623 1.00 13.31 H new ATOM 0 HB2 LEU A 85 0.437 -0.858 -3.361 1.00 65.21 H new ATOM 0 HB3 LEU A 85 0.404 -0.584 -5.092 1.00 65.21 H new ATOM 0 HG LEU A 85 -1.978 -0.057 -5.008 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -3.150 0.132 -2.849 1.00 12.11 H new ATOM 0 HD12 LEU A 85 -2.636 -1.540 -3.178 1.00 12.11 H new ATOM 0 HD13 LEU A 85 -1.725 -0.540 -2.021 1.00 12.11 H new ATOM 0 HD21 LEU A 85 -1.836 2.034 -3.709 1.00 74.32 H new ATOM 0 HD22 LEU A 85 -0.359 1.436 -2.917 1.00 74.32 H new ATOM 0 HD23 LEU A 85 -0.364 1.752 -4.668 1.00 74.32 H new ATOM 1345 N TYR A 86 -0.813 -2.208 -6.872 1.00 20.23 N ATOM 1346 CA TYR A 86 -1.538 -2.315 -8.133 1.00 34.13 C ATOM 1347 C TYR A 86 -2.179 -3.691 -8.278 1.00 42.21 C ATOM 1348 O TYR A 86 -3.367 -3.806 -8.583 1.00 13.40 O ATOM 1349 CB TYR A 86 -0.596 -2.053 -9.310 1.00 33.14 C ATOM 1350 CG TYR A 86 -1.279 -2.114 -10.658 1.00 73.13 C ATOM 1351 CD1 TYR A 86 -1.920 -1.001 -11.184 1.00 4.13 C ATOM 1352 CD2 TYR A 86 -1.279 -3.287 -11.405 1.00 45.54 C ATOM 1353 CE1 TYR A 86 -2.547 -1.053 -12.415 1.00 34.11 C ATOM 1354 CE2 TYR A 86 -1.902 -3.347 -12.637 1.00 42.33 C ATOM 1355 CZ TYR A 86 -2.535 -2.228 -13.137 1.00 34.13 C ATOM 1356 OH TYR A 86 -3.156 -2.283 -14.364 1.00 15.21 O ATOM 0 H TYR A 86 0.124 -1.814 -6.956 1.00 20.23 H new ATOM 0 HA TYR A 86 -2.328 -1.564 -8.133 1.00 34.13 H new ATOM 0 HB2 TYR A 86 -0.140 -1.071 -9.187 1.00 33.14 H new ATOM 0 HB3 TYR A 86 0.212 -2.785 -9.288 1.00 33.14 H new ATOM 0 HD1 TYR A 86 -1.929 -0.079 -10.622 1.00 4.13 H new ATOM 0 HD2 TYR A 86 -0.784 -4.165 -11.016 1.00 45.54 H new ATOM 0 HE1 TYR A 86 -3.043 -0.178 -12.809 1.00 34.11 H new ATOM 0 HE2 TYR A 86 -1.893 -4.265 -13.205 1.00 42.33 H new ATOM 0 HH TYR A 86 -3.055 -3.182 -14.742 1.00 15.21 H new ATOM 1366 N CYS A 87 -1.386 -4.733 -8.056 1.00 34.13 N ATOM 1367 CA CYS A 87 -1.875 -6.103 -8.161 1.00 1.34 C ATOM 1368 C CYS A 87 -2.929 -6.388 -7.096 1.00 40.54 C ATOM 1369 O CYS A 87 -3.823 -7.210 -7.295 1.00 4.24 O ATOM 1370 CB CYS A 87 -0.717 -7.093 -8.027 1.00 52.51 C ATOM 1371 SG CYS A 87 -0.128 -7.757 -9.602 1.00 71.25 S ATOM 0 H CYS A 87 -0.401 -4.655 -7.802 1.00 34.13 H new ATOM 0 HA CYS A 87 -2.334 -6.223 -9.142 1.00 1.34 H new ATOM 0 HB2 CYS A 87 0.112 -6.599 -7.520 1.00 52.51 H new ATOM 0 HB3 CYS A 87 -1.032 -7.920 -7.391 1.00 52.51 H new ATOM 0 HG CYS A 87 1.130 -7.467 -9.752 1.00 71.25 H new ATOM 1377 N VAL A 88 -2.816 -5.703 -5.961 1.00 3.55 N ATOM 1378 CA VAL A 88 -3.759 -5.882 -4.864 1.00 10.13 C ATOM 1379 C VAL A 88 -5.107 -5.248 -5.188 1.00 54.22 C ATOM 1380 O VAL A 88 -6.155 -5.753 -4.785 1.00 23.43 O ATOM 1381 CB VAL A 88 -3.219 -5.273 -3.556 1.00 53.10 C ATOM 1382 CG1 VAL A 88 -4.339 -5.112 -2.540 1.00 15.31 C ATOM 1383 CG2 VAL A 88 -2.096 -6.131 -2.993 1.00 10.14 C ATOM 0 H VAL A 88 -2.081 -5.020 -5.778 1.00 3.55 H new ATOM 0 HA VAL A 88 -3.889 -6.956 -4.731 1.00 10.13 H new ATOM 0 HB VAL A 88 -2.815 -4.285 -3.775 1.00 53.10 H new ATOM 0 HG11 VAL A 88 -3.939 -4.681 -1.623 1.00 15.31 H new ATOM 0 HG12 VAL A 88 -5.107 -4.453 -2.946 1.00 15.31 H new ATOM 0 HG13 VAL A 88 -4.776 -6.087 -2.322 1.00 15.31 H new ATOM 0 HG21 VAL A 88 -1.726 -5.686 -2.069 1.00 10.14 H new ATOM 0 HG22 VAL A 88 -2.472 -7.133 -2.788 1.00 10.14 H new ATOM 0 HG23 VAL A 88 -1.284 -6.189 -3.718 1.00 10.14 H new ATOM 1393 N HIS A 89 -5.073 -4.138 -5.918 1.00 11.34 N ATOM 1394 CA HIS A 89 -6.293 -3.434 -6.299 1.00 13.11 C ATOM 1395 C HIS A 89 -6.978 -4.131 -7.471 1.00 64.12 C ATOM 1396 O HIS A 89 -8.202 -4.032 -7.549 1.00 63.34 O ATOM 1397 CB HIS A 89 -5.978 -1.984 -6.668 1.00 74.22 C ATOM 1398 CG HIS A 89 -5.794 -1.090 -5.480 1.00 64.12 C ATOM 1399 ND1 HIS A 89 -6.618 -1.129 -4.376 1.00 62.04 N ATOM 1400 CD2 HIS A 89 -4.875 -0.130 -5.228 1.00 64.32 C ATOM 1401 CE1 HIS A 89 -6.213 -0.230 -3.496 1.00 63.34 C ATOM 1402 NE2 HIS A 89 -5.156 0.389 -3.988 1.00 61.11 N ATOM 0 H HIS A 89 -4.214 -3.706 -6.258 1.00 11.34 H new ATOM 0 HA HIS A 89 -6.970 -3.444 -5.445 1.00 13.11 H new ATOM 0 HB2 HIS A 89 -5.072 -1.960 -7.274 1.00 74.22 H new ATOM 0 HB3 HIS A 89 -6.785 -1.591 -7.286 1.00 74.22 H new ATOM 0 HD2 HIS A 89 -4.070 0.172 -5.881 1.00 64.32 H new ATOM 0 HE1 HIS A 89 -6.669 -0.035 -2.537 1.00 63.34 H new ATOM 0 HE2 HIS A 89 -4.633 1.131 -3.523 1.00 61.11 H new ATOM 1411 N GLN A 90 -6.249 -4.809 -8.351 1.00 54.35 N ATOM 1412 CA GLN A 90 -6.860 -5.490 -9.486 1.00 53.01 C ATOM 1413 C GLN A 90 -7.322 -6.891 -9.096 1.00 13.43 C ATOM 1414 O GLN A 90 -7.575 -7.733 -9.958 1.00 74.33 O ATOM 1415 CB GLN A 90 -5.873 -5.571 -10.651 1.00 75.34 C ATOM 1416 CG GLN A 90 -5.858 -4.328 -11.525 1.00 42.52 C ATOM 1417 CD GLN A 90 -7.218 -4.017 -12.120 1.00 75.41 C ATOM 1418 OE1 GLN A 90 -7.978 -3.217 -11.576 1.00 54.52 O ATOM 1419 NE2 GLN A 90 -7.531 -4.652 -13.243 1.00 23.00 N ATOM 0 H GLN A 90 -5.234 -4.901 -8.300 1.00 54.35 H new ATOM 0 HA GLN A 90 -7.731 -4.914 -9.797 1.00 53.01 H new ATOM 0 HB2 GLN A 90 -4.871 -5.739 -10.256 1.00 75.34 H new ATOM 0 HB3 GLN A 90 -6.122 -6.435 -11.267 1.00 75.34 H new ATOM 0 HG2 GLN A 90 -5.521 -3.477 -10.934 1.00 42.52 H new ATOM 0 HG3 GLN A 90 -5.136 -4.463 -12.330 1.00 42.52 H new ATOM 0 HE21 GLN A 90 -6.870 -5.307 -13.660 1.00 23.00 H new ATOM 0 HE22 GLN A 90 -8.433 -4.484 -13.689 1.00 23.00 H new ATOM 1428 N ARG A 91 -7.428 -7.133 -7.793 1.00 4.55 N ATOM 1429 CA ARG A 91 -7.858 -8.432 -7.291 1.00 52.52 C ATOM 1430 C ARG A 91 -6.925 -9.538 -7.774 1.00 55.23 C ATOM 1431 O ARG A 91 -7.329 -10.694 -7.896 1.00 71.02 O ATOM 1432 CB ARG A 91 -9.291 -8.727 -7.737 1.00 44.13 C ATOM 1433 CG ARG A 91 -10.039 -9.663 -6.802 1.00 32.44 C ATOM 1434 CD ARG A 91 -11.011 -10.551 -7.564 1.00 13.22 C ATOM 1435 NE ARG A 91 -12.256 -10.756 -6.829 1.00 62.43 N ATOM 1436 CZ ARG A 91 -13.357 -11.261 -7.374 1.00 2.22 C ATOM 1437 NH1 ARG A 91 -13.367 -11.610 -8.653 1.00 2.33 N ATOM 1438 NH2 ARG A 91 -14.450 -11.418 -6.640 1.00 64.42 N ATOM 0 H ARG A 91 -7.222 -6.447 -7.067 1.00 4.55 H new ATOM 0 HA ARG A 91 -7.823 -8.402 -6.202 1.00 52.52 H new ATOM 0 HB2 ARG A 91 -9.840 -7.788 -7.813 1.00 44.13 H new ATOM 0 HB3 ARG A 91 -9.269 -9.165 -8.735 1.00 44.13 H new ATOM 0 HG2 ARG A 91 -9.326 -10.284 -6.260 1.00 32.44 H new ATOM 0 HG3 ARG A 91 -10.583 -9.079 -6.059 1.00 32.44 H new ATOM 0 HD2 ARG A 91 -11.231 -10.100 -8.532 1.00 13.22 H new ATOM 0 HD3 ARG A 91 -10.543 -11.516 -7.761 1.00 13.22 H new ATOM 0 HE ARG A 91 -12.282 -10.497 -5.843 1.00 62.43 H new ATOM 0 HH11 ARG A 91 -12.528 -11.491 -9.221 1.00 2.33 H new ATOM 0 HH12 ARG A 91 -14.214 -11.998 -9.069 1.00 2.33 H new ATOM 0 HH21 ARG A 91 -14.446 -11.151 -5.656 1.00 64.42 H new ATOM 0 HH22 ARG A 91 -15.295 -11.806 -7.060 1.00 64.42 H new ATOM 1452 N ILE A 92 -5.677 -9.173 -8.050 1.00 62.22 N ATOM 1453 CA ILE A 92 -4.688 -10.135 -8.520 1.00 51.23 C ATOM 1454 C ILE A 92 -3.992 -10.824 -7.351 1.00 63.52 C ATOM 1455 O ILE A 92 -3.281 -10.186 -6.574 1.00 2.45 O ATOM 1456 CB ILE A 92 -3.626 -9.461 -9.409 1.00 40.41 C ATOM 1457 CG1 ILE A 92 -4.298 -8.643 -10.513 1.00 64.34 C ATOM 1458 CG2 ILE A 92 -2.696 -10.506 -10.007 1.00 1.23 C ATOM 1459 CD1 ILE A 92 -3.320 -7.903 -11.398 1.00 2.04 C ATOM 0 H ILE A 92 -5.327 -8.219 -7.956 1.00 62.22 H new ATOM 0 HA ILE A 92 -5.226 -10.878 -9.109 1.00 51.23 H new ATOM 0 HB ILE A 92 -3.033 -8.785 -8.793 1.00 40.41 H new ATOM 0 HG12 ILE A 92 -4.902 -9.308 -11.130 1.00 64.34 H new ATOM 0 HG13 ILE A 92 -4.979 -7.924 -10.058 1.00 64.34 H new ATOM 0 HG21 ILE A 92 -1.951 -10.015 -10.633 1.00 1.23 H new ATOM 0 HG22 ILE A 92 -2.195 -11.049 -9.205 1.00 1.23 H new ATOM 0 HG23 ILE A 92 -3.274 -11.204 -10.612 1.00 1.23 H new ATOM 0 HD11 ILE A 92 -3.867 -7.345 -12.158 1.00 2.04 H new ATOM 0 HD12 ILE A 92 -2.733 -7.212 -10.793 1.00 2.04 H new ATOM 0 HD13 ILE A 92 -2.654 -8.618 -11.882 1.00 2.04 H new ATOM 1471 N ASP A 93 -4.201 -12.130 -7.232 1.00 71.42 N ATOM 1472 CA ASP A 93 -3.592 -12.908 -6.159 1.00 72.40 C ATOM 1473 C ASP A 93 -2.119 -13.177 -6.451 1.00 14.14 C ATOM 1474 O ASP A 93 -1.785 -13.960 -7.340 1.00 71.10 O ATOM 1475 CB ASP A 93 -4.337 -14.231 -5.972 1.00 12.05 C ATOM 1476 CG ASP A 93 -5.699 -14.042 -5.335 1.00 23.54 C ATOM 1477 OD1 ASP A 93 -6.065 -12.884 -5.048 1.00 41.31 O ATOM 1478 OD2 ASP A 93 -6.400 -15.054 -5.122 1.00 0.14 O ATOM 0 H ASP A 93 -4.788 -12.673 -7.865 1.00 71.42 H new ATOM 0 HA ASP A 93 -3.662 -12.328 -5.239 1.00 72.40 H new ATOM 0 HB2 ASP A 93 -4.456 -14.718 -6.940 1.00 12.05 H new ATOM 0 HB3 ASP A 93 -3.738 -14.898 -5.352 1.00 12.05 H new ATOM 1483 N VAL A 94 -1.242 -12.521 -5.699 1.00 52.24 N ATOM 1484 CA VAL A 94 0.196 -12.689 -5.876 1.00 44.31 C ATOM 1485 C VAL A 94 0.791 -13.544 -4.764 1.00 62.33 C ATOM 1486 O VAL A 94 0.189 -13.709 -3.702 1.00 0.03 O ATOM 1487 CB VAL A 94 0.919 -11.330 -5.908 1.00 55.25 C ATOM 1488 CG1 VAL A 94 0.297 -10.417 -6.953 1.00 12.43 C ATOM 1489 CG2 VAL A 94 0.889 -10.679 -4.533 1.00 50.13 C ATOM 0 H VAL A 94 -1.502 -11.867 -4.960 1.00 52.24 H new ATOM 0 HA VAL A 94 0.341 -13.192 -6.832 1.00 44.31 H new ATOM 0 HB VAL A 94 1.960 -11.499 -6.183 1.00 55.25 H new ATOM 0 HG11 VAL A 94 0.822 -9.462 -6.960 1.00 12.43 H new ATOM 0 HG12 VAL A 94 0.376 -10.882 -7.936 1.00 12.43 H new ATOM 0 HG13 VAL A 94 -0.753 -10.252 -6.713 1.00 12.43 H new ATOM 0 HG21 VAL A 94 1.404 -9.719 -4.573 1.00 50.13 H new ATOM 0 HG22 VAL A 94 -0.145 -10.523 -4.227 1.00 50.13 H new ATOM 0 HG23 VAL A 94 1.387 -11.328 -3.812 1.00 50.13 H new ATOM 1499 N LYS A 95 1.978 -14.087 -5.013 1.00 61.22 N ATOM 1500 CA LYS A 95 2.658 -14.924 -4.033 1.00 63.35 C ATOM 1501 C LYS A 95 3.914 -14.238 -3.508 1.00 53.44 C ATOM 1502 O LYS A 95 4.470 -14.637 -2.484 1.00 2.10 O ATOM 1503 CB LYS A 95 3.023 -16.275 -4.651 1.00 73.31 C ATOM 1504 CG LYS A 95 2.075 -17.398 -4.266 1.00 61.44 C ATOM 1505 CD LYS A 95 2.134 -17.690 -2.775 1.00 42.20 C ATOM 1506 CE LYS A 95 1.891 -19.163 -2.486 1.00 42.12 C ATOM 1507 NZ LYS A 95 2.989 -20.020 -3.012 1.00 13.11 N ATOM 0 H LYS A 95 2.489 -13.962 -5.887 1.00 61.22 H new ATOM 0 HA LYS A 95 1.978 -15.085 -3.197 1.00 63.35 H new ATOM 0 HB2 LYS A 95 3.034 -16.177 -5.737 1.00 73.31 H new ATOM 0 HB3 LYS A 95 4.034 -16.544 -4.345 1.00 73.31 H new ATOM 0 HG2 LYS A 95 1.057 -17.128 -4.545 1.00 61.44 H new ATOM 0 HG3 LYS A 95 2.330 -18.299 -4.825 1.00 61.44 H new ATOM 0 HD2 LYS A 95 3.108 -17.397 -2.384 1.00 42.20 H new ATOM 0 HD3 LYS A 95 1.388 -17.088 -2.255 1.00 42.20 H new ATOM 0 HE2 LYS A 95 1.798 -19.311 -1.410 1.00 42.12 H new ATOM 0 HE3 LYS A 95 0.945 -19.470 -2.933 1.00 42.12 H new ATOM 0 HZ1 LYS A 95 3.042 -20.897 -2.456 1.00 13.11 H new ATOM 0 HZ2 LYS A 95 2.801 -20.252 -4.008 1.00 13.11 H new ATOM 0 HZ3 LYS A 95 3.892 -19.510 -2.940 1.00 13.11 H new ATOM 1521 N ASP A 96 4.356 -13.203 -4.214 1.00 41.21 N ATOM 1522 CA ASP A 96 5.546 -12.458 -3.817 1.00 24.00 C ATOM 1523 C ASP A 96 5.731 -11.224 -4.694 1.00 44.24 C ATOM 1524 O ASP A 96 5.069 -11.072 -5.721 1.00 4.11 O ATOM 1525 CB ASP A 96 6.785 -13.351 -3.904 1.00 25.52 C ATOM 1526 CG ASP A 96 6.781 -14.227 -5.141 1.00 42.12 C ATOM 1527 OD1 ASP A 96 6.981 -13.688 -6.250 1.00 30.12 O ATOM 1528 OD2 ASP A 96 6.580 -15.452 -5.001 1.00 51.43 O ATOM 0 H ASP A 96 3.908 -12.861 -5.064 1.00 41.21 H new ATOM 0 HA ASP A 96 5.414 -12.132 -2.785 1.00 24.00 H new ATOM 0 HB2 ASP A 96 7.679 -12.728 -3.907 1.00 25.52 H new ATOM 0 HB3 ASP A 96 6.838 -13.981 -3.016 1.00 25.52 H new ATOM 1533 N THR A 97 6.636 -10.341 -4.281 1.00 65.21 N ATOM 1534 CA THR A 97 6.907 -9.119 -5.026 1.00 41.31 C ATOM 1535 C THR A 97 6.939 -9.385 -6.526 1.00 70.21 C ATOM 1536 O THR A 97 6.120 -8.858 -7.280 1.00 60.34 O ATOM 1537 CB THR A 97 8.244 -8.485 -4.599 1.00 73.54 C ATOM 1538 OG1 THR A 97 8.127 -7.932 -3.284 1.00 51.32 O ATOM 1539 CG2 THR A 97 8.665 -7.398 -5.576 1.00 23.03 C ATOM 0 H THR A 97 7.193 -10.451 -3.434 1.00 65.21 H new ATOM 0 HA THR A 97 6.097 -8.426 -4.800 1.00 41.31 H new ATOM 0 HB THR A 97 9.005 -9.265 -4.598 1.00 73.54 H new ATOM 0 HG1 THR A 97 8.420 -8.594 -2.623 1.00 51.32 H new ATOM 0 HG21 THR A 97 9.612 -6.965 -5.253 1.00 23.03 H new ATOM 0 HG22 THR A 97 8.783 -7.828 -6.570 1.00 23.03 H new ATOM 0 HG23 THR A 97 7.902 -6.620 -5.606 1.00 23.03 H new ATOM 1547 N LYS A 98 7.891 -10.208 -6.956 1.00 53.31 N ATOM 1548 CA LYS A 98 8.030 -10.547 -8.367 1.00 53.45 C ATOM 1549 C LYS A 98 6.688 -10.960 -8.962 1.00 4.43 C ATOM 1550 O LYS A 98 6.270 -10.436 -9.995 1.00 32.30 O ATOM 1551 CB LYS A 98 9.047 -11.677 -8.543 1.00 54.42 C ATOM 1552 CG LYS A 98 9.371 -11.982 -9.995 1.00 35.23 C ATOM 1553 CD LYS A 98 8.845 -13.346 -10.409 1.00 1.52 C ATOM 1554 CE LYS A 98 9.684 -13.952 -11.523 1.00 35.10 C ATOM 1555 NZ LYS A 98 9.799 -15.431 -11.389 1.00 32.23 N ATOM 0 H LYS A 98 8.578 -10.652 -6.346 1.00 53.31 H new ATOM 0 HA LYS A 98 8.384 -9.661 -8.895 1.00 53.45 H new ATOM 0 HB2 LYS A 98 9.967 -11.411 -8.022 1.00 54.42 H new ATOM 0 HB3 LYS A 98 8.661 -12.579 -8.068 1.00 54.42 H new ATOM 0 HG2 LYS A 98 8.936 -11.214 -10.635 1.00 35.23 H new ATOM 0 HG3 LYS A 98 10.450 -11.947 -10.143 1.00 35.23 H new ATOM 0 HD2 LYS A 98 8.845 -14.014 -9.548 1.00 1.52 H new ATOM 0 HD3 LYS A 98 7.811 -13.253 -10.740 1.00 1.52 H new ATOM 0 HE2 LYS A 98 9.238 -13.708 -12.487 1.00 35.10 H new ATOM 0 HE3 LYS A 98 10.679 -13.508 -11.511 1.00 35.10 H new ATOM 0 HZ1 LYS A 98 10.378 -15.806 -12.167 1.00 32.23 H new ATOM 0 HZ2 LYS A 98 10.248 -15.663 -10.480 1.00 32.23 H new ATOM 0 HZ3 LYS A 98 8.851 -15.858 -11.426 1.00 32.23 H new ATOM 1569 N GLU A 99 6.016 -11.899 -8.303 1.00 41.34 N ATOM 1570 CA GLU A 99 4.721 -12.379 -8.768 1.00 23.22 C ATOM 1571 C GLU A 99 3.810 -11.214 -9.141 1.00 43.43 C ATOM 1572 O GLU A 99 3.047 -11.291 -10.104 1.00 0.40 O ATOM 1573 CB GLU A 99 4.055 -13.239 -7.691 1.00 42.20 C ATOM 1574 CG GLU A 99 3.163 -14.334 -8.252 1.00 44.55 C ATOM 1575 CD GLU A 99 3.747 -15.719 -8.056 1.00 43.52 C ATOM 1576 OE1 GLU A 99 4.990 -15.835 -7.998 1.00 24.35 O ATOM 1577 OE2 GLU A 99 2.964 -16.686 -7.962 1.00 44.14 O ATOM 0 H GLU A 99 6.347 -12.342 -7.446 1.00 41.34 H new ATOM 0 HA GLU A 99 4.885 -12.987 -9.658 1.00 23.22 H new ATOM 0 HB2 GLU A 99 4.828 -13.694 -7.071 1.00 42.20 H new ATOM 0 HB3 GLU A 99 3.462 -12.597 -7.040 1.00 42.20 H new ATOM 0 HG2 GLU A 99 2.186 -14.284 -7.771 1.00 44.55 H new ATOM 0 HG3 GLU A 99 3.003 -14.158 -9.316 1.00 44.55 H new ATOM 1584 N ALA A 100 3.894 -10.134 -8.369 1.00 33.23 N ATOM 1585 CA ALA A 100 3.079 -8.952 -8.619 1.00 22.10 C ATOM 1586 C ALA A 100 3.599 -8.170 -9.820 1.00 64.31 C ATOM 1587 O ALA A 100 2.830 -7.783 -10.702 1.00 31.11 O ATOM 1588 CB ALA A 100 3.044 -8.065 -7.384 1.00 54.45 C ATOM 0 H ALA A 100 4.518 -10.054 -7.566 1.00 33.23 H new ATOM 0 HA ALA A 100 2.065 -9.281 -8.845 1.00 22.10 H new ATOM 0 HB1 ALA A 100 2.432 -7.186 -7.585 1.00 54.45 H new ATOM 0 HB2 ALA A 100 2.618 -8.621 -6.549 1.00 54.45 H new ATOM 0 HB3 ALA A 100 4.057 -7.752 -7.132 1.00 54.45 H new ATOM 1594 N LEU A 101 4.907 -7.939 -9.849 1.00 24.43 N ATOM 1595 CA LEU A 101 5.530 -7.202 -10.943 1.00 3.00 C ATOM 1596 C LEU A 101 5.232 -7.865 -12.285 1.00 73.34 C ATOM 1597 O LEU A 101 4.679 -7.238 -13.189 1.00 63.51 O ATOM 1598 CB LEU A 101 7.042 -7.114 -10.729 1.00 45.04 C ATOM 1599 CG LEU A 101 7.497 -6.492 -9.408 1.00 23.40 C ATOM 1600 CD1 LEU A 101 8.830 -7.080 -8.974 1.00 54.43 C ATOM 1601 CD2 LEU A 101 7.593 -4.980 -9.535 1.00 14.32 C ATOM 0 H LEU A 101 5.557 -8.251 -9.127 1.00 24.43 H new ATOM 0 HA LEU A 101 5.112 -6.195 -10.955 1.00 3.00 H new ATOM 0 HB2 LEU A 101 7.458 -8.119 -10.797 1.00 45.04 H new ATOM 0 HB3 LEU A 101 7.472 -6.536 -11.547 1.00 45.04 H new ATOM 0 HG LEU A 101 6.755 -6.724 -8.644 1.00 23.40 H new ATOM 0 HD11 LEU A 101 9.139 -6.626 -8.032 1.00 54.43 H new ATOM 0 HD12 LEU A 101 8.727 -8.157 -8.841 1.00 54.43 H new ATOM 0 HD13 LEU A 101 9.582 -6.879 -9.737 1.00 54.43 H new ATOM 0 HD21 LEU A 101 7.918 -4.555 -8.585 1.00 14.32 H new ATOM 0 HD22 LEU A 101 8.313 -4.725 -10.312 1.00 14.32 H new ATOM 0 HD23 LEU A 101 6.616 -4.574 -9.799 1.00 14.32 H new ATOM 1613 N ASP A 102 5.603 -9.135 -12.407 1.00 52.05 N ATOM 1614 CA ASP A 102 5.373 -9.884 -13.637 1.00 55.14 C ATOM 1615 C ASP A 102 3.913 -9.788 -14.067 1.00 63.23 C ATOM 1616 O ASP A 102 3.613 -9.566 -15.240 1.00 73.02 O ATOM 1617 CB ASP A 102 5.767 -11.350 -13.447 1.00 60.00 C ATOM 1618 CG ASP A 102 7.269 -11.555 -13.481 1.00 53.42 C ATOM 1619 OD1 ASP A 102 7.988 -10.781 -12.814 1.00 35.33 O ATOM 1620 OD2 ASP A 102 7.724 -12.490 -14.172 1.00 34.03 O ATOM 0 H ASP A 102 6.064 -9.667 -11.669 1.00 52.05 H new ATOM 0 HA ASP A 102 5.993 -9.448 -14.421 1.00 55.14 H new ATOM 0 HB2 ASP A 102 5.376 -11.708 -12.495 1.00 60.00 H new ATOM 0 HB3 ASP A 102 5.303 -11.952 -14.228 1.00 60.00 H new