USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 872 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 106 THR OG1 : rot -0:sc= 1.2 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -2.73 K(o=-1.5,f=-2!) USER MOD Set 2.1: A 13 HIS : no HE2:sc= 0.756 K(o=0.76,f=-7.3!) USER MOD Set 2.2: A 69 SER OG : rot 170:sc= 0 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 163:sc= 0.68 (180deg=-1.63) USER MOD Set 3.2: A 26 SER OG : rot -170:sc= 1.08 USER MOD Set 4.1: A 18 HIS : no HE2:sc= 0.559 K(o=3.2,f=-8.1!) USER MOD Set 4.2: A 21 SER OG : rot -118:sc= 2.62 USER MOD Set 5.1: A 11 CYS SG : rot -127:sc= 0.56 USER MOD Set 5.2: A 92 SER OG : rot -106:sc= 0.793 USER MOD Single : A 12 SER OG : rot -110:sc= 1.13 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 20 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.29) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.481 K(o=-0.48,f=-4.3!) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0.691) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -106:sc= 1.13 USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.0118 (180deg=-0.168) USER MOD Single : A 44 ASN : amide:sc= -0.0621 K(o=-0.062,f=-0.97) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.965 USER MOD Single : A 48 GLN : amide:sc= 0.0899 X(o=0.09,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= -0.0189 (180deg=-0.211) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 92:sc= 1.19 USER MOD Single : A 59 SER OG : rot 180:sc= -0.434 USER MOD Single : A 62 SER OG : rot 78:sc= -0.0748 USER MOD Single : A 63 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0066) USER MOD Single : A 65 SER OG : rot -170:sc= -0.32 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.024 USER MOD Single : A 83 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.4!) USER MOD Single : A 84 MET CE :methyl -157:sc= 0 (180deg=-0.606) USER MOD Single : A 85 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.12) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 1.13 (180deg=1.06) USER MOD Single : A 97 THR OG1 : rot -18:sc= 0.684 USER MOD Single : A 100 MET CE :methyl -148:sc= -0.196 (180deg=-0.741) USER MOD Single : A 101 SER OG : rot 156:sc= -1.71! USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -120:sc= 0.974 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 8.329 -17.704 5.619 1.00 24.24 N ATOM 72 CA PRO A 6 8.030 -18.164 4.260 1.00 40.43 C ATOM 73 C PRO A 6 8.409 -17.120 3.211 1.00 63.00 C ATOM 74 O PRO A 6 7.990 -15.964 3.294 1.00 71.40 O ATOM 75 CB PRO A 6 6.511 -18.391 4.274 1.00 32.22 C ATOM 76 CG PRO A 6 6.010 -17.587 5.424 1.00 63.12 C ATOM 77 CD PRO A 6 7.114 -17.575 6.439 1.00 62.21 C ATOM 0 HA PRO A 6 8.595 -19.058 3.997 1.00 40.43 H new ATOM 0 HB2 PRO A 6 6.055 -18.067 3.338 1.00 32.22 H new ATOM 0 HB3 PRO A 6 6.271 -19.447 4.397 1.00 32.22 H new ATOM 0 HG2 PRO A 6 5.759 -16.574 5.110 1.00 63.12 H new ATOM 0 HG3 PRO A 6 5.103 -18.026 5.840 1.00 63.12 H new ATOM 0 HD2 PRO A 6 7.117 -16.653 7.020 1.00 62.21 H new ATOM 0 HD3 PRO A 6 7.018 -18.397 7.148 1.00 62.21 H new ATOM 85 N ALA A 7 9.208 -17.537 2.233 1.00 53.12 N ATOM 86 CA ALA A 7 9.668 -16.649 1.169 1.00 50.51 C ATOM 87 C ALA A 7 8.513 -16.219 0.274 1.00 14.34 C ATOM 88 O ALA A 7 8.564 -15.167 -0.366 1.00 21.03 O ATOM 89 CB ALA A 7 10.751 -17.331 0.348 1.00 72.01 C ATOM 0 H ALA A 7 9.553 -18.494 2.155 1.00 53.12 H new ATOM 0 HA ALA A 7 10.085 -15.754 1.630 1.00 50.51 H new ATOM 0 HB1 ALA A 7 11.086 -16.659 -0.442 1.00 72.01 H new ATOM 0 HB2 ALA A 7 11.593 -17.581 0.993 1.00 72.01 H new ATOM 0 HB3 ALA A 7 10.351 -18.243 -0.096 1.00 72.01 H new ATOM 95 N ARG A 8 7.484 -17.044 0.226 1.00 34.14 N ATOM 96 CA ARG A 8 6.299 -16.743 -0.543 1.00 60.32 C ATOM 97 C ARG A 8 5.286 -16.054 0.342 1.00 34.42 C ATOM 98 O ARG A 8 4.877 -16.600 1.373 1.00 40.43 O ATOM 99 CB ARG A 8 5.698 -18.019 -1.121 1.00 4.14 C ATOM 100 CG ARG A 8 6.593 -18.723 -2.120 1.00 15.13 C ATOM 101 CD ARG A 8 5.988 -20.041 -2.569 1.00 62.12 C ATOM 102 NE ARG A 8 4.621 -19.876 -3.072 1.00 41.41 N ATOM 103 CZ ARG A 8 4.248 -20.083 -4.335 1.00 53.24 C ATOM 104 NH1 ARG A 8 5.147 -20.428 -5.251 1.00 64.14 N ATOM 105 NH2 ARG A 8 2.974 -19.935 -4.683 1.00 74.24 N ATOM 0 H ARG A 8 7.449 -17.937 0.718 1.00 34.14 H new ATOM 0 HA ARG A 8 6.572 -16.085 -1.368 1.00 60.32 H new ATOM 0 HB2 ARG A 8 5.472 -18.705 -0.304 1.00 4.14 H new ATOM 0 HB3 ARG A 8 4.752 -17.776 -1.604 1.00 4.14 H new ATOM 0 HG2 ARG A 8 6.752 -18.080 -2.985 1.00 15.13 H new ATOM 0 HG3 ARG A 8 7.570 -18.903 -1.672 1.00 15.13 H new ATOM 0 HD2 ARG A 8 6.611 -20.478 -3.349 1.00 62.12 H new ATOM 0 HD3 ARG A 8 5.985 -20.741 -1.734 1.00 62.12 H new ATOM 0 HE ARG A 8 3.904 -19.582 -2.408 1.00 41.41 H new ATOM 0 HH11 ARG A 8 6.127 -20.535 -4.989 1.00 64.14 H new ATOM 0 HH12 ARG A 8 4.857 -20.585 -6.216 1.00 64.14 H new ATOM 0 HH21 ARG A 8 2.283 -19.663 -3.984 1.00 74.24 H new ATOM 0 HH22 ARG A 8 2.688 -20.093 -5.649 1.00 74.24 H new ATOM 119 N VAL A 9 4.892 -14.863 -0.039 1.00 22.30 N ATOM 120 CA VAL A 9 3.940 -14.094 0.734 1.00 14.03 C ATOM 121 C VAL A 9 2.828 -13.550 -0.151 1.00 41.04 C ATOM 122 O VAL A 9 3.046 -13.241 -1.327 1.00 54.25 O ATOM 123 CB VAL A 9 4.623 -12.914 1.485 1.00 64.11 C ATOM 124 CG1 VAL A 9 5.594 -13.429 2.537 1.00 61.23 C ATOM 125 CG2 VAL A 9 5.343 -11.991 0.510 1.00 14.24 C ATOM 0 H VAL A 9 5.218 -14.400 -0.887 1.00 22.30 H new ATOM 0 HA VAL A 9 3.514 -14.774 1.471 1.00 14.03 H new ATOM 0 HB VAL A 9 3.841 -12.343 1.986 1.00 64.11 H new ATOM 0 HG11 VAL A 9 6.058 -12.585 3.048 1.00 61.23 H new ATOM 0 HG12 VAL A 9 5.055 -14.040 3.261 1.00 61.23 H new ATOM 0 HG13 VAL A 9 6.365 -14.031 2.057 1.00 61.23 H new ATOM 0 HG21 VAL A 9 5.812 -11.175 1.060 1.00 14.24 H new ATOM 0 HG22 VAL A 9 6.107 -12.553 -0.026 1.00 14.24 H new ATOM 0 HG23 VAL A 9 4.626 -11.583 -0.202 1.00 14.24 H new ATOM 135 N ARG A 10 1.636 -13.472 0.403 1.00 10.21 N ATOM 136 CA ARG A 10 0.504 -12.907 -0.298 1.00 12.13 C ATOM 137 C ARG A 10 0.079 -11.630 0.403 1.00 1.12 C ATOM 138 O ARG A 10 -0.503 -11.675 1.499 1.00 23.11 O ATOM 139 CB ARG A 10 -0.664 -13.894 -0.319 1.00 13.43 C ATOM 140 CG ARG A 10 -1.794 -13.484 -1.244 1.00 54.11 C ATOM 141 CD ARG A 10 -3.006 -14.388 -1.090 1.00 42.12 C ATOM 142 NE ARG A 10 -4.008 -14.143 -2.135 1.00 54.13 N ATOM 143 CZ ARG A 10 -4.785 -13.056 -2.209 1.00 12.20 C ATOM 144 NH1 ARG A 10 -4.717 -12.116 -1.276 1.00 15.22 N ATOM 145 NH2 ARG A 10 -5.639 -12.919 -3.217 1.00 12.54 N ATOM 0 H ARG A 10 1.426 -13.797 1.347 1.00 10.21 H new ATOM 0 HA ARG A 10 0.792 -12.692 -1.327 1.00 12.13 H new ATOM 0 HB2 ARG A 10 -0.295 -14.873 -0.623 1.00 13.43 H new ATOM 0 HB3 ARG A 10 -1.055 -14.001 0.693 1.00 13.43 H new ATOM 0 HG2 ARG A 10 -2.080 -12.454 -1.034 1.00 54.11 H new ATOM 0 HG3 ARG A 10 -1.447 -13.514 -2.277 1.00 54.11 H new ATOM 0 HD2 ARG A 10 -2.689 -15.430 -1.128 1.00 42.12 H new ATOM 0 HD3 ARG A 10 -3.456 -14.228 -0.110 1.00 42.12 H new ATOM 0 HE ARG A 10 -4.120 -14.854 -2.858 1.00 54.13 H new ATOM 0 HH11 ARG A 10 -4.069 -12.219 -0.495 1.00 15.22 H new ATOM 0 HH12 ARG A 10 -5.313 -11.290 -1.340 1.00 15.22 H new ATOM 0 HH21 ARG A 10 -5.702 -13.642 -3.934 1.00 12.54 H new ATOM 0 HH22 ARG A 10 -6.232 -12.091 -3.274 1.00 12.54 H new ATOM 159 N CYS A 11 0.370 -10.500 -0.205 1.00 32.52 N ATOM 160 CA CYS A 11 0.041 -9.229 0.396 1.00 11.42 C ATOM 161 C CYS A 11 -0.703 -8.330 -0.572 1.00 30.13 C ATOM 162 O CYS A 11 -0.366 -8.239 -1.757 1.00 34.35 O ATOM 163 CB CYS A 11 1.300 -8.517 0.896 1.00 43.43 C ATOM 164 SG CYS A 11 2.328 -9.493 2.019 1.00 40.22 S ATOM 0 H CYS A 11 0.832 -10.437 -1.112 1.00 32.52 H new ATOM 0 HA CYS A 11 -0.611 -9.436 1.244 1.00 11.42 H new ATOM 0 HB2 CYS A 11 1.902 -8.226 0.035 1.00 43.43 H new ATOM 0 HB3 CYS A 11 1.004 -7.599 1.403 1.00 43.43 H new ATOM 0 HG CYS A 11 2.549 -8.814 3.105 1.00 40.22 H new ATOM 170 N SER A 12 -1.707 -7.679 -0.059 1.00 71.44 N ATOM 171 CA SER A 12 -2.487 -6.736 -0.804 1.00 25.22 C ATOM 172 C SER A 12 -1.929 -5.340 -0.512 1.00 23.23 C ATOM 173 O SER A 12 -1.573 -5.048 0.634 1.00 64.21 O ATOM 174 CB SER A 12 -3.942 -6.838 -0.344 1.00 24.32 C ATOM 175 OG SER A 12 -4.309 -8.206 -0.150 1.00 11.42 O ATOM 0 H SER A 12 -2.012 -7.792 0.908 1.00 71.44 H new ATOM 0 HA SER A 12 -2.442 -6.934 -1.875 1.00 25.22 H new ATOM 0 HB2 SER A 12 -4.076 -6.284 0.585 1.00 24.32 H new ATOM 0 HB3 SER A 12 -4.597 -6.381 -1.085 1.00 24.32 H new ATOM 0 HG SER A 12 -4.942 -8.477 -0.847 1.00 11.42 H new ATOM 181 N HIS A 13 -1.827 -4.483 -1.518 1.00 12.30 N ATOM 182 CA HIS A 13 -1.246 -3.165 -1.287 1.00 2.33 C ATOM 183 C HIS A 13 -2.037 -2.036 -1.923 1.00 12.21 C ATOM 184 O HIS A 13 -2.494 -2.131 -3.061 1.00 64.32 O ATOM 185 CB HIS A 13 0.238 -3.100 -1.705 1.00 42.34 C ATOM 186 CG HIS A 13 0.523 -3.434 -3.145 1.00 31.04 C ATOM 187 ND1 HIS A 13 0.393 -2.531 -4.177 1.00 51.12 N ATOM 188 CD2 HIS A 13 0.975 -4.576 -3.712 1.00 33.22 C ATOM 189 CE1 HIS A 13 0.751 -3.100 -5.305 1.00 52.43 C ATOM 190 NE2 HIS A 13 1.110 -4.337 -5.055 1.00 63.31 N ATOM 0 H HIS A 13 -2.128 -4.666 -2.475 1.00 12.30 H new ATOM 0 HA HIS A 13 -1.300 -3.015 -0.209 1.00 2.33 H new ATOM 0 HB2 HIS A 13 0.610 -2.096 -1.503 1.00 42.34 H new ATOM 0 HB3 HIS A 13 0.805 -3.783 -1.073 1.00 42.34 H new ATOM 0 HD1 HIS A 13 0.069 -1.569 -4.080 1.00 51.12 H new ATOM 0 HD2 HIS A 13 1.190 -5.503 -3.202 1.00 33.22 H new ATOM 0 HE1 HIS A 13 0.750 -2.628 -6.277 1.00 52.43 H new ATOM 199 N LEU A 14 -2.188 -0.976 -1.155 1.00 2.01 N ATOM 200 CA LEU A 14 -2.868 0.234 -1.578 1.00 5.24 C ATOM 201 C LEU A 14 -1.819 1.333 -1.752 1.00 12.12 C ATOM 202 O LEU A 14 -0.742 1.248 -1.163 1.00 32.02 O ATOM 203 CB LEU A 14 -3.915 0.621 -0.502 1.00 42.22 C ATOM 204 CG LEU A 14 -4.840 1.807 -0.808 1.00 51.43 C ATOM 205 CD1 LEU A 14 -6.179 1.620 -0.111 1.00 52.02 C ATOM 206 CD2 LEU A 14 -4.212 3.122 -0.362 1.00 61.44 C ATOM 0 H LEU A 14 -1.834 -0.930 -0.199 1.00 2.01 H new ATOM 0 HA LEU A 14 -3.388 0.088 -2.525 1.00 5.24 H new ATOM 0 HB2 LEU A 14 -4.539 -0.252 -0.311 1.00 42.22 H new ATOM 0 HB3 LEU A 14 -3.382 0.840 0.423 1.00 42.22 H new ATOM 0 HG LEU A 14 -4.993 1.844 -1.887 1.00 51.43 H new ATOM 0 HD11 LEU A 14 -6.827 2.467 -0.335 1.00 52.02 H new ATOM 0 HD12 LEU A 14 -6.648 0.701 -0.464 1.00 52.02 H new ATOM 0 HD13 LEU A 14 -6.023 1.557 0.966 1.00 52.02 H new ATOM 0 HD21 LEU A 14 -4.889 3.945 -0.591 1.00 61.44 H new ATOM 0 HD22 LEU A 14 -4.028 3.092 0.712 1.00 61.44 H new ATOM 0 HD23 LEU A 14 -3.269 3.271 -0.887 1.00 61.44 H new ATOM 218 N LEU A 15 -2.109 2.336 -2.564 1.00 70.14 N ATOM 219 CA LEU A 15 -1.165 3.428 -2.782 1.00 71.34 C ATOM 220 C LEU A 15 -1.878 4.751 -2.918 1.00 63.24 C ATOM 221 O LEU A 15 -2.908 4.844 -3.563 1.00 60.14 O ATOM 222 CB LEU A 15 -0.319 3.178 -4.037 1.00 14.32 C ATOM 223 CG LEU A 15 0.582 4.341 -4.494 1.00 53.14 C ATOM 224 CD1 LEU A 15 1.679 4.616 -3.482 1.00 42.42 C ATOM 225 CD2 LEU A 15 1.177 4.055 -5.865 1.00 54.34 C ATOM 0 H LEU A 15 -2.984 2.420 -3.082 1.00 70.14 H new ATOM 0 HA LEU A 15 -0.513 3.467 -1.910 1.00 71.34 H new ATOM 0 HB2 LEU A 15 0.311 2.307 -3.857 1.00 14.32 H new ATOM 0 HB3 LEU A 15 -0.990 2.922 -4.857 1.00 14.32 H new ATOM 0 HG LEU A 15 -0.038 5.234 -4.567 1.00 53.14 H new ATOM 0 HD11 LEU A 15 2.298 5.442 -3.832 1.00 42.42 H new ATOM 0 HD12 LEU A 15 1.232 4.879 -2.523 1.00 42.42 H new ATOM 0 HD13 LEU A 15 2.296 3.725 -3.363 1.00 42.42 H new ATOM 0 HD21 LEU A 15 1.810 4.889 -6.168 1.00 54.34 H new ATOM 0 HD22 LEU A 15 1.774 3.144 -5.820 1.00 54.34 H new ATOM 0 HD23 LEU A 15 0.374 3.926 -6.591 1.00 54.34 H new ATOM 237 N VAL A 16 -1.334 5.757 -2.292 1.00 12.21 N ATOM 238 CA VAL A 16 -1.829 7.105 -2.426 1.00 15.32 C ATOM 239 C VAL A 16 -0.690 7.989 -2.905 1.00 32.15 C ATOM 240 O VAL A 16 0.327 8.130 -2.216 1.00 31.12 O ATOM 241 CB VAL A 16 -2.405 7.643 -1.089 1.00 32.23 C ATOM 242 CG1 VAL A 16 -2.741 9.120 -1.191 1.00 55.33 C ATOM 243 CG2 VAL A 16 -3.643 6.854 -0.693 1.00 44.54 C ATOM 0 H VAL A 16 -0.530 5.668 -1.670 1.00 12.21 H new ATOM 0 HA VAL A 16 -2.645 7.112 -3.149 1.00 15.32 H new ATOM 0 HB VAL A 16 -1.641 7.520 -0.321 1.00 32.23 H new ATOM 0 HG11 VAL A 16 -3.142 9.468 -0.239 1.00 55.33 H new ATOM 0 HG12 VAL A 16 -1.839 9.683 -1.432 1.00 55.33 H new ATOM 0 HG13 VAL A 16 -3.483 9.271 -1.975 1.00 55.33 H new ATOM 0 HG21 VAL A 16 -4.037 7.242 0.247 1.00 44.54 H new ATOM 0 HG22 VAL A 16 -4.400 6.950 -1.471 1.00 44.54 H new ATOM 0 HG23 VAL A 16 -3.381 5.803 -0.570 1.00 44.54 H new ATOM 253 N LYS A 17 -0.836 8.552 -4.098 1.00 24.43 N ATOM 254 CA LYS A 17 0.216 9.382 -4.674 1.00 1.34 C ATOM 255 C LYS A 17 0.283 10.741 -3.992 1.00 72.11 C ATOM 256 O LYS A 17 -0.537 11.065 -3.129 1.00 3.53 O ATOM 257 CB LYS A 17 0.013 9.586 -6.179 1.00 63.02 C ATOM 258 CG LYS A 17 0.165 8.339 -7.039 1.00 1.33 C ATOM 259 CD LYS A 17 0.130 8.710 -8.522 1.00 14.45 C ATOM 260 CE LYS A 17 0.236 7.493 -9.431 1.00 41.42 C ATOM 261 NZ LYS A 17 -0.997 6.663 -9.413 1.00 75.43 N ATOM 0 H LYS A 17 -1.666 8.451 -4.682 1.00 24.43 H new ATOM 0 HA LYS A 17 1.155 8.852 -4.513 1.00 1.34 H new ATOM 0 HB2 LYS A 17 -0.983 9.997 -6.340 1.00 63.02 H new ATOM 0 HB3 LYS A 17 0.727 10.334 -6.526 1.00 63.02 H new ATOM 0 HG2 LYS A 17 1.105 7.839 -6.804 1.00 1.33 H new ATOM 0 HG3 LYS A 17 -0.636 7.634 -6.814 1.00 1.33 H new ATOM 0 HD2 LYS A 17 -0.797 9.241 -8.738 1.00 14.45 H new ATOM 0 HD3 LYS A 17 0.949 9.395 -8.741 1.00 14.45 H new ATOM 0 HE2 LYS A 17 0.435 7.821 -10.451 1.00 41.42 H new ATOM 0 HE3 LYS A 17 1.085 6.884 -9.121 1.00 41.42 H new ATOM 0 HZ1 LYS A 17 -1.000 6.028 -10.236 1.00 75.43 H new ATOM 0 HZ2 LYS A 17 -1.023 6.098 -8.540 1.00 75.43 H new ATOM 0 HZ3 LYS A 17 -1.832 7.281 -9.450 1.00 75.43 H new ATOM 275 N HIS A 18 1.258 11.533 -4.399 1.00 32.25 N ATOM 276 CA HIS A 18 1.453 12.866 -3.867 1.00 45.12 C ATOM 277 C HIS A 18 2.200 13.722 -4.885 1.00 34.15 C ATOM 278 O HIS A 18 2.685 13.203 -5.886 1.00 64.45 O ATOM 279 CB HIS A 18 2.172 12.835 -2.487 1.00 72.51 C ATOM 280 CG HIS A 18 3.586 12.291 -2.472 1.00 54.44 C ATOM 281 ND1 HIS A 18 4.100 11.446 -3.432 1.00 63.53 N ATOM 282 CD2 HIS A 18 4.589 12.480 -1.581 1.00 24.41 C ATOM 283 CE1 HIS A 18 5.347 11.141 -3.127 1.00 71.10 C ATOM 284 NE2 HIS A 18 5.664 11.756 -2.015 1.00 75.13 N ATOM 0 H HIS A 18 1.939 11.267 -5.111 1.00 32.25 H new ATOM 0 HA HIS A 18 0.477 13.319 -3.690 1.00 45.12 H new ATOM 0 HB2 HIS A 18 2.193 13.850 -2.091 1.00 72.51 H new ATOM 0 HB3 HIS A 18 1.570 12.238 -1.802 1.00 72.51 H new ATOM 0 HD1 HIS A 18 3.595 11.109 -4.251 1.00 63.53 H new ATOM 0 HD2 HIS A 18 4.547 13.091 -0.691 1.00 24.41 H new ATOM 0 HE1 HIS A 18 5.996 10.494 -3.698 1.00 71.10 H new ATOM 293 N SER A 19 2.292 15.013 -4.632 1.00 31.33 N ATOM 294 CA SER A 19 2.929 15.941 -5.565 1.00 24.45 C ATOM 295 C SER A 19 4.399 15.577 -5.848 1.00 21.31 C ATOM 296 O SER A 19 4.921 15.862 -6.931 1.00 33.01 O ATOM 297 CB SER A 19 2.811 17.370 -5.036 1.00 45.14 C ATOM 298 OG SER A 19 3.129 17.429 -3.654 1.00 23.23 O ATOM 0 H SER A 19 1.933 15.452 -3.784 1.00 31.33 H new ATOM 0 HA SER A 19 2.404 15.865 -6.517 1.00 24.45 H new ATOM 0 HB2 SER A 19 3.480 18.025 -5.595 1.00 45.14 H new ATOM 0 HB3 SER A 19 1.798 17.738 -5.196 1.00 45.14 H new ATOM 0 HG SER A 19 3.048 18.353 -3.339 1.00 23.23 H new ATOM 304 N GLN A 20 5.050 14.935 -4.886 1.00 41.50 N ATOM 305 CA GLN A 20 6.447 14.539 -5.038 1.00 23.44 C ATOM 306 C GLN A 20 6.584 13.128 -5.615 1.00 45.23 C ATOM 307 O GLN A 20 7.647 12.513 -5.515 1.00 43.40 O ATOM 308 CB GLN A 20 7.185 14.631 -3.700 1.00 71.43 C ATOM 309 CG GLN A 20 7.335 16.049 -3.175 1.00 63.41 C ATOM 310 CD GLN A 20 8.054 16.957 -4.149 1.00 44.10 C ATOM 311 OE1 GLN A 20 7.431 17.607 -4.986 1.00 64.25 O ATOM 312 NE2 GLN A 20 9.366 17.006 -4.051 1.00 61.03 N ATOM 0 H GLN A 20 4.634 14.677 -3.991 1.00 41.50 H new ATOM 0 HA GLN A 20 6.900 15.234 -5.745 1.00 23.44 H new ATOM 0 HB2 GLN A 20 6.651 14.035 -2.960 1.00 71.43 H new ATOM 0 HB3 GLN A 20 8.175 14.189 -3.811 1.00 71.43 H new ATOM 0 HG2 GLN A 20 6.348 16.460 -2.962 1.00 63.41 H new ATOM 0 HG3 GLN A 20 7.882 16.028 -2.232 1.00 63.41 H new ATOM 0 HE21 GLN A 20 9.846 16.451 -3.342 1.00 61.03 H new ATOM 0 HE22 GLN A 20 9.903 17.599 -4.684 1.00 61.03 H new ATOM 321 N SER A 21 5.513 12.613 -6.208 1.00 52.03 N ATOM 322 CA SER A 21 5.561 11.303 -6.838 1.00 12.11 C ATOM 323 C SER A 21 6.298 11.390 -8.166 1.00 31.13 C ATOM 324 O SER A 21 6.266 12.428 -8.826 1.00 40.43 O ATOM 325 CB SER A 21 4.143 10.750 -7.064 1.00 21.41 C ATOM 326 OG SER A 21 3.491 10.454 -5.831 1.00 65.13 O ATOM 0 H SER A 21 4.608 13.080 -6.265 1.00 52.03 H new ATOM 0 HA SER A 21 6.094 10.624 -6.173 1.00 12.11 H new ATOM 0 HB2 SER A 21 3.553 11.477 -7.622 1.00 21.41 H new ATOM 0 HB3 SER A 21 4.197 9.848 -7.673 1.00 21.41 H new ATOM 0 HG SER A 21 3.290 9.496 -5.789 1.00 65.13 H new ATOM 332 N ARG A 22 6.970 10.299 -8.555 1.00 31.33 N ATOM 333 CA ARG A 22 7.684 10.246 -9.841 1.00 60.11 C ATOM 334 C ARG A 22 6.718 10.510 -11.000 1.00 51.34 C ATOM 335 O ARG A 22 7.120 10.928 -12.087 1.00 72.41 O ATOM 336 CB ARG A 22 8.376 8.885 -10.025 1.00 41.14 C ATOM 337 CG ARG A 22 7.421 7.699 -10.059 1.00 14.01 C ATOM 338 CD ARG A 22 8.159 6.390 -10.310 1.00 32.11 C ATOM 339 NE ARG A 22 9.083 6.054 -9.223 1.00 62.31 N ATOM 340 CZ ARG A 22 9.859 4.964 -9.201 1.00 72.02 C ATOM 341 NH1 ARG A 22 9.858 4.117 -10.224 1.00 64.43 N ATOM 342 NH2 ARG A 22 10.637 4.726 -8.156 1.00 44.54 N ATOM 0 H ARG A 22 7.035 9.444 -8.002 1.00 31.33 H new ATOM 0 HA ARG A 22 8.448 11.023 -9.838 1.00 60.11 H new ATOM 0 HB2 ARG A 22 8.948 8.903 -10.953 1.00 41.14 H new ATOM 0 HB3 ARG A 22 9.089 8.740 -9.214 1.00 41.14 H new ATOM 0 HG2 ARG A 22 6.882 7.638 -9.113 1.00 14.01 H new ATOM 0 HG3 ARG A 22 6.677 7.853 -10.840 1.00 14.01 H new ATOM 0 HD2 ARG A 22 7.435 5.584 -10.430 1.00 32.11 H new ATOM 0 HD3 ARG A 22 8.713 6.462 -11.246 1.00 32.11 H new ATOM 0 HE ARG A 22 9.138 6.694 -8.430 1.00 62.31 H new ATOM 0 HH11 ARG A 22 9.263 4.295 -11.033 1.00 64.43 H new ATOM 0 HH12 ARG A 22 10.452 3.288 -10.200 1.00 64.43 H new ATOM 0 HH21 ARG A 22 10.645 5.374 -7.368 1.00 44.54 H new ATOM 0 HH22 ARG A 22 11.228 3.895 -8.139 1.00 44.54 H new ATOM 356 N ARG A 23 5.449 10.261 -10.748 1.00 13.24 N ATOM 357 CA ARG A 23 4.400 10.505 -11.704 1.00 54.00 C ATOM 358 C ARG A 23 3.259 11.253 -11.011 1.00 33.10 C ATOM 359 O ARG A 23 2.534 10.672 -10.206 1.00 25.21 O ATOM 360 CB ARG A 23 3.897 9.179 -12.282 1.00 71.32 C ATOM 361 CG ARG A 23 2.802 9.325 -13.326 1.00 73.20 C ATOM 362 CD ARG A 23 3.280 10.103 -14.540 1.00 12.34 C ATOM 363 NE ARG A 23 2.223 10.250 -15.537 1.00 2.30 N ATOM 364 CZ ARG A 23 2.332 10.973 -16.652 1.00 11.54 C ATOM 365 NH1 ARG A 23 3.469 11.596 -16.935 1.00 72.24 N ATOM 366 NH2 ARG A 23 1.305 11.059 -17.491 1.00 30.10 N ATOM 0 H ARG A 23 5.118 9.879 -9.862 1.00 13.24 H new ATOM 0 HA ARG A 23 4.784 11.111 -12.524 1.00 54.00 H new ATOM 0 HB2 ARG A 23 4.738 8.648 -12.727 1.00 71.32 H new ATOM 0 HB3 ARG A 23 3.525 8.559 -11.467 1.00 71.32 H new ATOM 0 HG2 ARG A 23 2.463 8.337 -13.638 1.00 73.20 H new ATOM 0 HG3 ARG A 23 1.944 9.832 -12.884 1.00 73.20 H new ATOM 0 HD2 ARG A 23 3.626 11.089 -14.228 1.00 12.34 H new ATOM 0 HD3 ARG A 23 4.133 9.593 -14.987 1.00 12.34 H new ATOM 0 HE ARG A 23 1.341 9.766 -15.369 1.00 2.30 H new ATOM 0 HH11 ARG A 23 4.263 11.523 -16.299 1.00 72.24 H new ATOM 0 HH12 ARG A 23 3.549 12.148 -17.789 1.00 72.24 H new ATOM 0 HH21 ARG A 23 0.434 10.572 -17.282 1.00 30.10 H new ATOM 0 HH22 ARG A 23 1.388 11.612 -18.344 1.00 30.10 H new ATOM 380 N PRO A 24 3.117 12.564 -11.283 1.00 40.14 N ATOM 381 CA PRO A 24 2.067 13.397 -10.672 1.00 24.23 C ATOM 382 C PRO A 24 0.672 13.046 -11.190 1.00 15.40 C ATOM 383 O PRO A 24 -0.336 13.319 -10.533 1.00 2.24 O ATOM 384 CB PRO A 24 2.444 14.831 -11.090 1.00 54.03 C ATOM 385 CG PRO A 24 3.834 14.735 -11.634 1.00 12.45 C ATOM 386 CD PRO A 24 3.973 13.347 -12.180 1.00 41.31 C ATOM 0 HA PRO A 24 2.019 13.254 -9.592 1.00 24.23 H new ATOM 0 HB2 PRO A 24 1.754 15.215 -11.841 1.00 54.03 H new ATOM 0 HB3 PRO A 24 2.401 15.512 -10.240 1.00 54.03 H new ATOM 0 HG2 PRO A 24 3.999 15.479 -12.414 1.00 12.45 H new ATOM 0 HG3 PRO A 24 4.571 14.922 -10.854 1.00 12.45 H new ATOM 0 HD2 PRO A 24 3.640 13.284 -13.216 1.00 41.31 H new ATOM 0 HD3 PRO A 24 5.007 13.003 -12.156 1.00 41.31 H new ATOM 394 N SER A 25 0.623 12.449 -12.366 1.00 42.33 N ATOM 395 CA SER A 25 -0.630 12.040 -12.965 1.00 4.24 C ATOM 396 C SER A 25 -0.992 10.630 -12.507 1.00 71.51 C ATOM 397 O SER A 25 -0.113 9.840 -12.164 1.00 35.12 O ATOM 398 CB SER A 25 -0.512 12.075 -14.484 1.00 72.51 C ATOM 399 OG SER A 25 0.016 13.316 -14.928 1.00 53.24 O ATOM 0 H SER A 25 1.446 12.236 -12.929 1.00 42.33 H new ATOM 0 HA SER A 25 -1.415 12.728 -12.650 1.00 4.24 H new ATOM 0 HB2 SER A 25 0.131 11.262 -14.821 1.00 72.51 H new ATOM 0 HB3 SER A 25 -1.492 11.913 -14.932 1.00 72.51 H new ATOM 0 HG SER A 25 0.083 13.312 -15.906 1.00 53.24 H new ATOM 405 N SER A 26 -2.269 10.317 -12.500 1.00 53.21 N ATOM 406 CA SER A 26 -2.713 9.006 -12.092 1.00 34.01 C ATOM 407 C SER A 26 -3.782 8.491 -13.053 1.00 44.14 C ATOM 408 O SER A 26 -4.127 9.163 -14.028 1.00 33.33 O ATOM 409 CB SER A 26 -3.254 9.056 -10.657 1.00 2.23 C ATOM 410 OG SER A 26 -3.424 7.747 -10.126 1.00 72.41 O ATOM 0 H SER A 26 -3.017 10.954 -12.773 1.00 53.21 H new ATOM 0 HA SER A 26 -1.866 8.320 -12.118 1.00 34.01 H new ATOM 0 HB2 SER A 26 -2.568 9.621 -10.026 1.00 2.23 H new ATOM 0 HB3 SER A 26 -4.208 9.584 -10.643 1.00 2.23 H new ATOM 0 HG SER A 26 -3.914 7.799 -9.279 1.00 72.41 H new ATOM 415 N TRP A 27 -4.301 7.307 -12.783 1.00 13.02 N ATOM 416 CA TRP A 27 -5.324 6.718 -13.630 1.00 20.31 C ATOM 417 C TRP A 27 -6.713 7.180 -13.206 1.00 72.13 C ATOM 418 O TRP A 27 -7.621 7.289 -14.025 1.00 72.21 O ATOM 419 CB TRP A 27 -5.231 5.178 -13.622 1.00 3.20 C ATOM 420 CG TRP A 27 -5.365 4.543 -12.259 1.00 64.23 C ATOM 421 CD1 TRP A 27 -4.366 4.324 -11.354 1.00 53.15 C ATOM 422 CD2 TRP A 27 -6.565 4.031 -11.659 1.00 24.41 C ATOM 423 NE1 TRP A 27 -4.869 3.714 -10.232 1.00 34.42 N ATOM 424 CE2 TRP A 27 -6.215 3.524 -10.393 1.00 11.14 C ATOM 425 CE3 TRP A 27 -7.899 3.955 -12.069 1.00 54.13 C ATOM 426 CZ2 TRP A 27 -7.151 2.950 -9.536 1.00 13.12 C ATOM 427 CZ3 TRP A 27 -8.826 3.385 -11.217 1.00 62.04 C ATOM 428 CH2 TRP A 27 -8.448 2.890 -9.963 1.00 44.22 C ATOM 0 H TRP A 27 -4.031 6.734 -11.984 1.00 13.02 H new ATOM 0 HA TRP A 27 -5.151 7.059 -14.651 1.00 20.31 H new ATOM 0 HB2 TRP A 27 -6.009 4.778 -14.272 1.00 3.20 H new ATOM 0 HB3 TRP A 27 -4.274 4.884 -14.052 1.00 3.20 H new ATOM 0 HD1 TRP A 27 -3.330 4.592 -11.500 1.00 53.15 H new ATOM 0 HE1 TRP A 27 -4.327 3.446 -9.411 1.00 34.42 H new ATOM 0 HE3 TRP A 27 -8.200 4.335 -13.034 1.00 54.13 H new ATOM 0 HZ2 TRP A 27 -6.862 2.566 -8.569 1.00 13.12 H new ATOM 0 HZ3 TRP A 27 -9.860 3.320 -11.524 1.00 62.04 H new ATOM 0 HH2 TRP A 27 -9.197 2.452 -9.320 1.00 44.22 H new ATOM 439 N ARG A 28 -6.863 7.468 -11.927 1.00 24.35 N ATOM 440 CA ARG A 28 -8.144 7.904 -11.381 1.00 35.01 C ATOM 441 C ARG A 28 -8.184 9.419 -11.199 1.00 62.24 C ATOM 442 O ARG A 28 -9.248 10.005 -10.996 1.00 65.34 O ATOM 443 CB ARG A 28 -8.412 7.206 -10.047 1.00 11.52 C ATOM 444 CG ARG A 28 -7.258 7.307 -9.066 1.00 1.21 C ATOM 445 CD ARG A 28 -7.614 6.707 -7.722 1.00 23.00 C ATOM 446 NE ARG A 28 -8.714 7.422 -7.075 1.00 32.02 N ATOM 447 CZ ARG A 28 -8.567 8.249 -6.040 1.00 34.14 C ATOM 448 NH1 ARG A 28 -7.354 8.535 -5.572 1.00 2.02 N ATOM 449 NH2 ARG A 28 -9.634 8.806 -5.485 1.00 63.01 N ATOM 0 H ARG A 28 -6.112 7.409 -11.240 1.00 24.35 H new ATOM 0 HA ARG A 28 -8.923 7.631 -12.092 1.00 35.01 H new ATOM 0 HB2 ARG A 28 -9.303 7.639 -9.593 1.00 11.52 H new ATOM 0 HB3 ARG A 28 -8.628 6.154 -10.234 1.00 11.52 H new ATOM 0 HG2 ARG A 28 -6.387 6.795 -9.474 1.00 1.21 H new ATOM 0 HG3 ARG A 28 -6.981 8.353 -8.936 1.00 1.21 H new ATOM 0 HD2 ARG A 28 -7.890 5.661 -7.854 1.00 23.00 H new ATOM 0 HD3 ARG A 28 -6.738 6.726 -7.073 1.00 23.00 H new ATOM 0 HE ARG A 28 -9.656 7.278 -7.440 1.00 32.02 H new ATOM 0 HH11 ARG A 28 -6.529 8.120 -6.006 1.00 2.02 H new ATOM 0 HH12 ARG A 28 -7.249 9.169 -4.780 1.00 2.02 H new ATOM 0 HH21 ARG A 28 -10.564 8.601 -5.850 1.00 63.01 H new ATOM 0 HH22 ARG A 28 -9.525 9.439 -4.693 1.00 63.01 H new ATOM 463 N GLN A 29 -7.026 10.047 -11.272 1.00 11.14 N ATOM 464 CA GLN A 29 -6.918 11.488 -11.102 1.00 0.40 C ATOM 465 C GLN A 29 -6.024 12.072 -12.184 1.00 23.23 C ATOM 466 O GLN A 29 -4.989 11.488 -12.510 1.00 42.24 O ATOM 467 CB GLN A 29 -6.335 11.824 -9.715 1.00 70.32 C ATOM 468 CG GLN A 29 -7.175 11.336 -8.533 1.00 73.15 C ATOM 469 CD GLN A 29 -8.450 12.139 -8.326 1.00 44.22 C ATOM 470 OE1 GLN A 29 -9.019 12.690 -9.268 1.00 74.20 O ATOM 471 NE2 GLN A 29 -8.908 12.207 -7.091 1.00 40.12 N ATOM 0 H GLN A 29 -6.137 9.579 -11.450 1.00 11.14 H new ATOM 0 HA GLN A 29 -7.915 11.922 -11.181 1.00 0.40 H new ATOM 0 HB2 GLN A 29 -5.339 11.388 -9.640 1.00 70.32 H new ATOM 0 HB3 GLN A 29 -6.217 12.905 -9.638 1.00 70.32 H new ATOM 0 HG2 GLN A 29 -7.435 10.289 -8.689 1.00 73.15 H new ATOM 0 HG3 GLN A 29 -6.573 11.383 -7.625 1.00 73.15 H new ATOM 0 HE21 GLN A 29 -8.409 11.737 -6.335 1.00 40.12 H new ATOM 0 HE22 GLN A 29 -9.761 12.729 -6.891 1.00 40.12 H new ATOM 480 N GLU A 30 -6.428 13.211 -12.745 1.00 21.43 N ATOM 481 CA GLU A 30 -5.638 13.892 -13.772 1.00 73.40 C ATOM 482 C GLU A 30 -4.248 14.188 -13.233 1.00 4.34 C ATOM 483 O GLU A 30 -3.239 13.729 -13.774 1.00 51.20 O ATOM 484 CB GLU A 30 -6.313 15.205 -14.183 1.00 42.51 C ATOM 485 CG GLU A 30 -5.542 15.988 -15.237 1.00 11.40 C ATOM 486 CD GLU A 30 -5.973 17.435 -15.319 1.00 13.23 C ATOM 487 OE1 GLU A 30 -7.020 17.720 -15.933 1.00 65.12 O ATOM 488 OE2 GLU A 30 -5.267 18.298 -14.771 1.00 23.21 O ATOM 0 H GLU A 30 -7.300 13.683 -12.505 1.00 21.43 H new ATOM 0 HA GLU A 30 -5.565 13.243 -14.645 1.00 73.40 H new ATOM 0 HB2 GLU A 30 -7.311 14.986 -14.564 1.00 42.51 H new ATOM 0 HB3 GLU A 30 -6.439 15.830 -13.299 1.00 42.51 H new ATOM 0 HG2 GLU A 30 -4.477 15.943 -15.011 1.00 11.40 H new ATOM 0 HG3 GLU A 30 -5.682 15.516 -16.209 1.00 11.40 H new ATOM 495 N LYS A 31 -4.216 14.950 -12.163 1.00 30.12 N ATOM 496 CA LYS A 31 -2.992 15.296 -11.492 1.00 0.51 C ATOM 497 C LYS A 31 -3.246 15.360 -10.000 1.00 53.41 C ATOM 498 O LYS A 31 -4.302 15.818 -9.560 1.00 11.24 O ATOM 499 CB LYS A 31 -2.446 16.631 -12.010 1.00 10.44 C ATOM 500 CG LYS A 31 -3.387 17.808 -11.816 1.00 14.40 C ATOM 501 CD LYS A 31 -2.842 19.061 -12.472 1.00 72.13 C ATOM 502 CE LYS A 31 -3.767 20.247 -12.263 1.00 55.43 C ATOM 503 NZ LYS A 31 -5.159 19.953 -12.689 1.00 21.14 N ATOM 0 H LYS A 31 -5.050 15.349 -11.733 1.00 30.12 H new ATOM 0 HA LYS A 31 -2.241 14.533 -11.696 1.00 0.51 H new ATOM 0 HB2 LYS A 31 -1.505 16.846 -11.504 1.00 10.44 H new ATOM 0 HB3 LYS A 31 -2.222 16.531 -13.072 1.00 10.44 H new ATOM 0 HG2 LYS A 31 -4.363 17.569 -12.237 1.00 14.40 H new ATOM 0 HG3 LYS A 31 -3.535 17.987 -10.751 1.00 14.40 H new ATOM 0 HD2 LYS A 31 -1.858 19.289 -12.062 1.00 72.13 H new ATOM 0 HD3 LYS A 31 -2.709 18.886 -13.540 1.00 72.13 H new ATOM 0 HE2 LYS A 31 -3.763 20.528 -11.210 1.00 55.43 H new ATOM 0 HE3 LYS A 31 -3.390 21.103 -12.823 1.00 55.43 H new ATOM 0 HZ1 LYS A 31 -5.706 20.837 -12.722 1.00 21.14 H new ATOM 0 HZ2 LYS A 31 -5.148 19.517 -13.633 1.00 21.14 H new ATOM 0 HZ3 LYS A 31 -5.599 19.299 -12.011 1.00 21.14 H new ATOM 517 N ILE A 32 -2.311 14.880 -9.234 1.00 15.14 N ATOM 518 CA ILE A 32 -2.455 14.855 -7.801 1.00 50.45 C ATOM 519 C ILE A 32 -1.615 15.943 -7.148 1.00 4.45 C ATOM 520 O ILE A 32 -0.389 15.969 -7.283 1.00 34.21 O ATOM 521 CB ILE A 32 -2.102 13.461 -7.251 1.00 23.20 C ATOM 522 CG1 ILE A 32 -3.149 12.455 -7.744 1.00 1.13 C ATOM 523 CG2 ILE A 32 -2.027 13.474 -5.733 1.00 41.10 C ATOM 524 CD1 ILE A 32 -2.856 11.026 -7.388 1.00 51.30 C ATOM 0 H ILE A 32 -1.431 14.496 -9.578 1.00 15.14 H new ATOM 0 HA ILE A 32 -3.497 15.060 -7.555 1.00 50.45 H new ATOM 0 HB ILE A 32 -1.118 13.167 -7.616 1.00 23.20 H new ATOM 0 HG12 ILE A 32 -4.120 12.728 -7.330 1.00 1.13 H new ATOM 0 HG13 ILE A 32 -3.231 12.537 -8.828 1.00 1.13 H new ATOM 0 HG21 ILE A 32 -1.776 12.476 -5.373 1.00 41.10 H new ATOM 0 HG22 ILE A 32 -1.260 14.179 -5.413 1.00 41.10 H new ATOM 0 HG23 ILE A 32 -2.991 13.776 -5.324 1.00 41.10 H new ATOM 0 HD11 ILE A 32 -3.648 10.385 -7.776 1.00 51.30 H new ATOM 0 HD12 ILE A 32 -1.902 10.730 -7.825 1.00 51.30 H new ATOM 0 HD13 ILE A 32 -2.805 10.924 -6.304 1.00 51.30 H new ATOM 536 N THR A 33 -2.286 16.843 -6.448 1.00 64.12 N ATOM 537 CA THR A 33 -1.630 17.984 -5.836 1.00 44.23 C ATOM 538 C THR A 33 -1.503 17.834 -4.321 1.00 72.05 C ATOM 539 O THR A 33 -1.052 18.754 -3.634 1.00 74.11 O ATOM 540 CB THR A 33 -2.388 19.284 -6.160 1.00 43.54 C ATOM 541 OG1 THR A 33 -3.790 19.108 -5.891 1.00 0.33 O ATOM 542 CG2 THR A 33 -2.196 19.672 -7.620 1.00 64.52 C ATOM 0 H THR A 33 -3.293 16.803 -6.289 1.00 64.12 H new ATOM 0 HA THR A 33 -0.625 18.030 -6.256 1.00 44.23 H new ATOM 0 HB THR A 33 -1.989 20.081 -5.532 1.00 43.54 H new ATOM 0 HG1 THR A 33 -4.269 19.938 -6.097 1.00 0.33 H new ATOM 0 HG21 THR A 33 -2.741 20.593 -7.826 1.00 64.52 H new ATOM 0 HG22 THR A 33 -1.135 19.825 -7.819 1.00 64.52 H new ATOM 0 HG23 THR A 33 -2.575 18.876 -8.261 1.00 64.52 H new ATOM 550 N ARG A 34 -1.910 16.688 -3.797 1.00 0.44 N ATOM 551 CA ARG A 34 -1.802 16.445 -2.367 1.00 61.30 C ATOM 552 C ARG A 34 -0.341 16.182 -2.001 1.00 44.22 C ATOM 553 O ARG A 34 0.355 15.442 -2.694 1.00 52.22 O ATOM 554 CB ARG A 34 -2.693 15.261 -1.935 1.00 32.13 C ATOM 555 CG ARG A 34 -2.130 13.893 -2.281 1.00 11.42 C ATOM 556 CD ARG A 34 -3.106 12.776 -1.953 1.00 20.04 C ATOM 557 NE ARG A 34 -4.194 12.686 -2.930 1.00 70.22 N ATOM 558 CZ ARG A 34 -4.337 11.678 -3.802 1.00 30.31 C ATOM 559 NH1 ARG A 34 -3.428 10.712 -3.858 1.00 35.44 N ATOM 560 NH2 ARG A 34 -5.371 11.653 -4.631 1.00 52.04 N ATOM 0 H ARG A 34 -2.314 15.920 -4.333 1.00 0.44 H new ATOM 0 HA ARG A 34 -2.151 17.330 -1.835 1.00 61.30 H new ATOM 0 HB2 ARG A 34 -2.850 15.314 -0.858 1.00 32.13 H new ATOM 0 HB3 ARG A 34 -3.671 15.367 -2.405 1.00 32.13 H new ATOM 0 HG2 ARG A 34 -1.885 13.860 -3.343 1.00 11.42 H new ATOM 0 HG3 ARG A 34 -1.201 13.735 -1.734 1.00 11.42 H new ATOM 0 HD2 ARG A 34 -2.571 11.827 -1.919 1.00 20.04 H new ATOM 0 HD3 ARG A 34 -3.524 12.942 -0.960 1.00 20.04 H new ATOM 0 HE ARG A 34 -4.885 13.436 -2.948 1.00 70.22 H new ATOM 0 HH11 ARG A 34 -2.619 10.736 -3.237 1.00 35.44 H new ATOM 0 HH12 ARG A 34 -3.538 9.946 -4.522 1.00 35.44 H new ATOM 0 HH21 ARG A 34 -6.062 12.403 -4.607 1.00 52.04 H new ATOM 0 HH22 ARG A 34 -5.476 10.884 -5.293 1.00 52.04 H new ATOM 574 N THR A 35 0.131 16.804 -0.948 1.00 32.45 N ATOM 575 CA THR A 35 1.499 16.601 -0.525 1.00 34.23 C ATOM 576 C THR A 35 1.589 15.421 0.464 1.00 63.52 C ATOM 577 O THR A 35 0.563 14.855 0.855 1.00 12.43 O ATOM 578 CB THR A 35 2.119 17.903 0.070 1.00 73.34 C ATOM 579 OG1 THR A 35 3.473 17.684 0.479 1.00 2.45 O ATOM 580 CG2 THR A 35 1.312 18.409 1.244 1.00 61.33 C ATOM 0 H THR A 35 -0.406 17.451 -0.370 1.00 32.45 H new ATOM 0 HA THR A 35 2.090 16.348 -1.405 1.00 34.23 H new ATOM 0 HB THR A 35 2.102 18.657 -0.717 1.00 73.34 H new ATOM 0 HG1 THR A 35 3.516 17.641 1.457 1.00 2.45 H new ATOM 0 HG21 THR A 35 1.770 19.317 1.636 1.00 61.33 H new ATOM 0 HG22 THR A 35 0.295 18.627 0.919 1.00 61.33 H new ATOM 0 HG23 THR A 35 1.289 17.648 2.024 1.00 61.33 H new ATOM 588 N LYS A 36 2.812 15.057 0.845 1.00 71.32 N ATOM 589 CA LYS A 36 3.076 13.909 1.726 1.00 25.20 C ATOM 590 C LYS A 36 2.223 13.930 3.004 1.00 34.22 C ATOM 591 O LYS A 36 1.536 12.954 3.312 1.00 51.24 O ATOM 592 CB LYS A 36 4.570 13.855 2.071 1.00 21.24 C ATOM 593 CG LYS A 36 4.961 12.746 3.033 1.00 3.31 C ATOM 594 CD LYS A 36 6.475 12.631 3.144 1.00 22.12 C ATOM 595 CE LYS A 36 6.884 11.751 4.311 1.00 43.35 C ATOM 596 NZ LYS A 36 6.616 12.408 5.615 1.00 71.52 N ATOM 0 H LYS A 36 3.656 15.550 0.552 1.00 71.32 H new ATOM 0 HA LYS A 36 2.792 13.008 1.183 1.00 25.20 H new ATOM 0 HB2 LYS A 36 5.138 13.734 1.148 1.00 21.24 H new ATOM 0 HB3 LYS A 36 4.864 14.812 2.503 1.00 21.24 H new ATOM 0 HG2 LYS A 36 4.534 12.945 4.016 1.00 3.31 H new ATOM 0 HG3 LYS A 36 4.545 11.799 2.691 1.00 3.31 H new ATOM 0 HD2 LYS A 36 6.878 12.220 2.219 1.00 22.12 H new ATOM 0 HD3 LYS A 36 6.908 13.624 3.267 1.00 22.12 H new ATOM 0 HE2 LYS A 36 6.343 10.806 4.262 1.00 43.35 H new ATOM 0 HE3 LYS A 36 7.945 11.515 4.234 1.00 43.35 H new ATOM 0 HZ1 LYS A 36 7.142 11.917 6.366 1.00 71.52 H new ATOM 0 HZ2 LYS A 36 6.921 13.401 5.572 1.00 71.52 H new ATOM 0 HZ3 LYS A 36 5.598 12.367 5.822 1.00 71.52 H new ATOM 610 N GLU A 37 2.260 15.036 3.731 1.00 74.34 N ATOM 611 CA GLU A 37 1.504 15.161 4.977 1.00 21.42 C ATOM 612 C GLU A 37 -0.003 15.080 4.737 1.00 63.04 C ATOM 613 O GLU A 37 -0.741 14.544 5.568 1.00 42.04 O ATOM 614 CB GLU A 37 1.870 16.449 5.745 1.00 52.23 C ATOM 615 CG GLU A 37 2.029 17.697 4.882 1.00 65.15 C ATOM 616 CD GLU A 37 3.391 17.778 4.219 1.00 32.42 C ATOM 617 OE1 GLU A 37 4.318 18.345 4.827 1.00 14.12 O ATOM 618 OE2 GLU A 37 3.546 17.265 3.093 1.00 52.12 O ATOM 0 H GLU A 37 2.804 15.862 3.483 1.00 74.34 H new ATOM 0 HA GLU A 37 1.787 14.313 5.600 1.00 21.42 H new ATOM 0 HB2 GLU A 37 1.099 16.639 6.492 1.00 52.23 H new ATOM 0 HB3 GLU A 37 2.802 16.279 6.285 1.00 52.23 H new ATOM 0 HG2 GLU A 37 1.255 17.705 4.115 1.00 65.15 H new ATOM 0 HG3 GLU A 37 1.876 18.583 5.499 1.00 65.15 H new ATOM 625 N GLU A 38 -0.452 15.594 3.596 1.00 73.30 N ATOM 626 CA GLU A 38 -1.867 15.541 3.242 1.00 20.02 C ATOM 627 C GLU A 38 -2.273 14.103 2.951 1.00 73.35 C ATOM 628 O GLU A 38 -3.266 13.609 3.473 1.00 71.24 O ATOM 629 CB GLU A 38 -2.154 16.405 2.011 1.00 52.55 C ATOM 630 CG GLU A 38 -1.841 17.883 2.181 1.00 35.14 C ATOM 631 CD GLU A 38 -2.684 18.557 3.234 1.00 63.42 C ATOM 632 OE1 GLU A 38 -3.924 18.557 3.099 1.00 74.52 O ATOM 633 OE2 GLU A 38 -2.110 19.098 4.201 1.00 11.23 O ATOM 0 H GLU A 38 0.141 16.050 2.903 1.00 73.30 H new ATOM 0 HA GLU A 38 -2.443 15.926 4.084 1.00 20.02 H new ATOM 0 HB2 GLU A 38 -1.575 16.020 1.172 1.00 52.55 H new ATOM 0 HB3 GLU A 38 -3.206 16.299 1.748 1.00 52.55 H new ATOM 0 HG2 GLU A 38 -0.789 17.996 2.441 1.00 35.14 H new ATOM 0 HG3 GLU A 38 -1.990 18.390 1.228 1.00 35.14 H new ATOM 640 N ALA A 39 -1.474 13.434 2.124 1.00 2.22 N ATOM 641 CA ALA A 39 -1.734 12.053 1.731 1.00 40.22 C ATOM 642 C ALA A 39 -1.742 11.126 2.939 1.00 63.34 C ATOM 643 O ALA A 39 -2.522 10.172 2.999 1.00 60.22 O ATOM 644 CB ALA A 39 -0.693 11.591 0.721 1.00 44.55 C ATOM 0 H ALA A 39 -0.632 13.832 1.709 1.00 2.22 H new ATOM 0 HA ALA A 39 -2.721 12.014 1.271 1.00 40.22 H new ATOM 0 HB1 ALA A 39 -0.897 10.559 0.435 1.00 44.55 H new ATOM 0 HB2 ALA A 39 -0.736 12.228 -0.163 1.00 44.55 H new ATOM 0 HB3 ALA A 39 0.300 11.655 1.167 1.00 44.55 H new ATOM 650 N LEU A 40 -0.881 11.423 3.902 1.00 52.43 N ATOM 651 CA LEU A 40 -0.768 10.623 5.113 1.00 3.42 C ATOM 652 C LEU A 40 -2.084 10.605 5.889 1.00 11.10 C ATOM 653 O LEU A 40 -2.457 9.582 6.471 1.00 65.25 O ATOM 654 CB LEU A 40 0.361 11.153 5.998 1.00 21.31 C ATOM 655 CG LEU A 40 0.639 10.356 7.275 1.00 12.00 C ATOM 656 CD1 LEU A 40 1.081 8.938 6.942 1.00 34.23 C ATOM 657 CD2 LEU A 40 1.686 11.059 8.117 1.00 52.45 C ATOM 0 H LEU A 40 -0.245 12.220 3.867 1.00 52.43 H new ATOM 0 HA LEU A 40 -0.536 9.600 4.818 1.00 3.42 H new ATOM 0 HB2 LEU A 40 1.276 11.185 5.406 1.00 21.31 H new ATOM 0 HB3 LEU A 40 0.126 12.180 6.278 1.00 21.31 H new ATOM 0 HG LEU A 40 -0.285 10.295 7.850 1.00 12.00 H new ATOM 0 HD11 LEU A 40 1.273 8.391 7.865 1.00 34.23 H new ATOM 0 HD12 LEU A 40 0.295 8.435 6.378 1.00 34.23 H new ATOM 0 HD13 LEU A 40 1.992 8.972 6.344 1.00 34.23 H new ATOM 0 HD21 LEU A 40 1.873 10.481 9.022 1.00 52.45 H new ATOM 0 HD22 LEU A 40 2.610 11.150 7.547 1.00 52.45 H new ATOM 0 HD23 LEU A 40 1.328 12.052 8.389 1.00 52.45 H new ATOM 669 N GLU A 41 -2.794 11.732 5.880 1.00 24.44 N ATOM 670 CA GLU A 41 -4.068 11.836 6.580 1.00 51.43 C ATOM 671 C GLU A 41 -5.084 10.865 5.989 1.00 71.11 C ATOM 672 O GLU A 41 -5.859 10.238 6.717 1.00 24.43 O ATOM 673 CB GLU A 41 -4.602 13.267 6.532 1.00 25.52 C ATOM 674 CG GLU A 41 -3.696 14.281 7.215 1.00 32.22 C ATOM 675 CD GLU A 41 -4.281 15.672 7.221 1.00 24.42 C ATOM 676 OE1 GLU A 41 -4.120 16.392 6.221 1.00 42.40 O ATOM 677 OE2 GLU A 41 -4.915 16.055 8.231 1.00 64.35 O ATOM 0 H GLU A 41 -2.507 12.583 5.396 1.00 24.44 H new ATOM 0 HA GLU A 41 -3.903 11.571 7.624 1.00 51.43 H new ATOM 0 HB2 GLU A 41 -4.740 13.559 5.491 1.00 25.52 H new ATOM 0 HB3 GLU A 41 -5.584 13.295 7.004 1.00 25.52 H new ATOM 0 HG2 GLU A 41 -3.512 13.964 8.242 1.00 32.22 H new ATOM 0 HG3 GLU A 41 -2.731 14.299 6.709 1.00 32.22 H new ATOM 684 N LEU A 42 -5.071 10.737 4.667 1.00 2.43 N ATOM 685 CA LEU A 42 -5.946 9.797 3.986 1.00 23.33 C ATOM 686 C LEU A 42 -5.530 8.369 4.316 1.00 35.05 C ATOM 687 O LEU A 42 -6.368 7.532 4.646 1.00 22.25 O ATOM 688 CB LEU A 42 -5.924 10.012 2.460 1.00 53.35 C ATOM 689 CG LEU A 42 -6.654 11.259 1.930 1.00 34.01 C ATOM 690 CD1 LEU A 42 -5.908 12.533 2.280 1.00 43.30 C ATOM 691 CD2 LEU A 42 -6.861 11.157 0.427 1.00 72.54 C ATOM 0 H LEU A 42 -4.463 11.273 4.048 1.00 2.43 H new ATOM 0 HA LEU A 42 -6.964 9.970 4.335 1.00 23.33 H new ATOM 0 HB2 LEU A 42 -4.884 10.063 2.138 1.00 53.35 H new ATOM 0 HB3 LEU A 42 -6.362 9.134 1.986 1.00 53.35 H new ATOM 0 HG LEU A 42 -7.629 11.303 2.416 1.00 34.01 H new ATOM 0 HD11 LEU A 42 -6.453 13.393 1.890 1.00 43.30 H new ATOM 0 HD12 LEU A 42 -5.823 12.619 3.363 1.00 43.30 H new ATOM 0 HD13 LEU A 42 -4.912 12.504 1.839 1.00 43.30 H new ATOM 0 HD21 LEU A 42 -7.379 12.047 0.070 1.00 72.54 H new ATOM 0 HD22 LEU A 42 -5.894 11.076 -0.069 1.00 72.54 H new ATOM 0 HD23 LEU A 42 -7.459 10.274 0.201 1.00 72.54 H new ATOM 703 N ILE A 43 -4.221 8.113 4.243 1.00 70.24 N ATOM 704 CA ILE A 43 -3.655 6.795 4.543 1.00 4.45 C ATOM 705 C ILE A 43 -4.098 6.303 5.917 1.00 52.43 C ATOM 706 O ILE A 43 -4.702 5.233 6.037 1.00 43.35 O ATOM 707 CB ILE A 43 -2.103 6.826 4.485 1.00 2.21 C ATOM 708 CG1 ILE A 43 -1.620 7.047 3.050 1.00 70.31 C ATOM 709 CG2 ILE A 43 -1.502 5.546 5.059 1.00 33.23 C ATOM 710 CD1 ILE A 43 -1.926 5.893 2.118 1.00 63.33 C ATOM 0 H ILE A 43 -3.526 8.810 3.975 1.00 70.24 H new ATOM 0 HA ILE A 43 -4.027 6.107 3.784 1.00 4.45 H new ATOM 0 HB ILE A 43 -1.764 7.661 5.098 1.00 2.21 H new ATOM 0 HG12 ILE A 43 -2.082 7.952 2.656 1.00 70.31 H new ATOM 0 HG13 ILE A 43 -0.543 7.217 3.061 1.00 70.31 H new ATOM 0 HG21 ILE A 43 -0.415 5.598 5.004 1.00 33.23 H new ATOM 0 HG22 ILE A 43 -1.808 5.435 6.099 1.00 33.23 H new ATOM 0 HG23 ILE A 43 -1.853 4.689 4.484 1.00 33.23 H new ATOM 0 HD11 ILE A 43 -1.554 6.123 1.120 1.00 63.33 H new ATOM 0 HD12 ILE A 43 -1.441 4.989 2.487 1.00 63.33 H new ATOM 0 HD13 ILE A 43 -3.004 5.735 2.076 1.00 63.33 H new ATOM 722 N ASN A 44 -3.815 7.099 6.944 1.00 40.32 N ATOM 723 CA ASN A 44 -4.178 6.747 8.316 1.00 1.32 C ATOM 724 C ASN A 44 -5.678 6.561 8.449 1.00 14.52 C ATOM 725 O ASN A 44 -6.147 5.741 9.242 1.00 75.01 O ATOM 726 CB ASN A 44 -3.686 7.814 9.300 1.00 71.14 C ATOM 727 CG ASN A 44 -2.174 7.813 9.459 1.00 43.32 C ATOM 728 OD1 ASN A 44 -1.525 6.771 9.349 1.00 63.15 O ATOM 729 ND2 ASN A 44 -1.606 8.975 9.716 1.00 64.15 N ATOM 0 H ASN A 44 -3.335 7.994 6.853 1.00 40.32 H new ATOM 0 HA ASN A 44 -3.691 5.802 8.558 1.00 1.32 H new ATOM 0 HB2 ASN A 44 -4.010 8.796 8.957 1.00 71.14 H new ATOM 0 HB3 ASN A 44 -4.150 7.647 10.272 1.00 71.14 H new ATOM 0 HD21 ASN A 44 -0.594 9.034 9.831 1.00 64.15 H new ATOM 0 HD22 ASN A 44 -2.178 9.815 9.800 1.00 64.15 H new ATOM 736 N GLY A 45 -6.430 7.316 7.664 1.00 10.34 N ATOM 737 CA GLY A 45 -7.866 7.199 7.679 1.00 63.55 C ATOM 738 C GLY A 45 -8.329 5.857 7.151 1.00 3.31 C ATOM 739 O GLY A 45 -9.136 5.179 7.788 1.00 60.13 O ATOM 0 H GLY A 45 -6.065 8.012 7.013 1.00 10.34 H new ATOM 0 HA2 GLY A 45 -8.231 7.334 8.697 1.00 63.55 H new ATOM 0 HA3 GLY A 45 -8.301 7.996 7.076 1.00 63.55 H new ATOM 743 N TYR A 46 -7.801 5.463 5.992 1.00 14.24 N ATOM 744 CA TYR A 46 -8.161 4.184 5.380 1.00 13.12 C ATOM 745 C TYR A 46 -7.810 3.031 6.312 1.00 74.43 C ATOM 746 O TYR A 46 -8.636 2.155 6.567 1.00 12.23 O ATOM 747 CB TYR A 46 -7.445 3.987 4.031 1.00 13.42 C ATOM 748 CG TYR A 46 -7.706 5.073 3.005 1.00 32.04 C ATOM 749 CD1 TYR A 46 -8.990 5.557 2.775 1.00 11.44 C ATOM 750 CD2 TYR A 46 -6.662 5.610 2.261 1.00 73.45 C ATOM 751 CE1 TYR A 46 -9.222 6.545 1.835 1.00 34.43 C ATOM 752 CE2 TYR A 46 -6.888 6.598 1.321 1.00 60.12 C ATOM 753 CZ TYR A 46 -8.167 7.061 1.112 1.00 52.41 C ATOM 754 OH TYR A 46 -8.393 8.050 0.177 1.00 34.34 O ATOM 0 H TYR A 46 -7.124 6.010 5.459 1.00 14.24 H new ATOM 0 HA TYR A 46 -9.237 4.196 5.204 1.00 13.12 H new ATOM 0 HB2 TYR A 46 -6.372 3.928 4.211 1.00 13.42 H new ATOM 0 HB3 TYR A 46 -7.751 3.029 3.610 1.00 13.42 H new ATOM 0 HD1 TYR A 46 -9.819 5.155 3.339 1.00 11.44 H new ATOM 0 HD2 TYR A 46 -5.657 5.249 2.420 1.00 73.45 H new ATOM 0 HE1 TYR A 46 -10.224 6.911 1.668 1.00 34.43 H new ATOM 0 HE2 TYR A 46 -6.064 7.005 0.753 1.00 60.12 H new ATOM 0 HH TYR A 46 -9.163 8.590 0.452 1.00 34.34 H new ATOM 764 N ILE A 47 -6.584 3.058 6.835 1.00 64.32 N ATOM 765 CA ILE A 47 -6.092 2.018 7.740 1.00 3.25 C ATOM 766 C ILE A 47 -7.037 1.824 8.927 1.00 33.21 C ATOM 767 O ILE A 47 -7.443 0.700 9.235 1.00 60.21 O ATOM 768 CB ILE A 47 -4.674 2.362 8.272 1.00 72.54 C ATOM 769 CG1 ILE A 47 -3.676 2.453 7.116 1.00 64.55 C ATOM 770 CG2 ILE A 47 -4.214 1.329 9.296 1.00 43.02 C ATOM 771 CD1 ILE A 47 -2.289 2.886 7.543 1.00 35.10 C ATOM 0 H ILE A 47 -5.907 3.797 6.645 1.00 64.32 H new ATOM 0 HA ILE A 47 -6.045 1.093 7.165 1.00 3.25 H new ATOM 0 HB ILE A 47 -4.721 3.333 8.766 1.00 72.54 H new ATOM 0 HG12 ILE A 47 -3.609 1.481 6.628 1.00 64.55 H new ATOM 0 HG13 ILE A 47 -4.055 3.157 6.375 1.00 64.55 H new ATOM 0 HG21 ILE A 47 -3.218 1.590 9.655 1.00 43.02 H new ATOM 0 HG22 ILE A 47 -4.910 1.314 10.135 1.00 43.02 H new ATOM 0 HG23 ILE A 47 -4.185 0.344 8.831 1.00 43.02 H new ATOM 0 HD11 ILE A 47 -1.636 2.928 6.671 1.00 35.10 H new ATOM 0 HD12 ILE A 47 -2.342 3.872 8.005 1.00 35.10 H new ATOM 0 HD13 ILE A 47 -1.889 2.170 8.261 1.00 35.10 H new ATOM 783 N GLN A 48 -7.398 2.923 9.573 1.00 4.21 N ATOM 784 CA GLN A 48 -8.275 2.872 10.738 1.00 10.12 C ATOM 785 C GLN A 48 -9.652 2.312 10.380 1.00 1.12 C ATOM 786 O GLN A 48 -10.219 1.521 11.134 1.00 32.31 O ATOM 787 CB GLN A 48 -8.405 4.253 11.382 1.00 61.34 C ATOM 788 CG GLN A 48 -7.101 4.783 11.955 1.00 21.03 C ATOM 789 CD GLN A 48 -7.262 6.130 12.628 1.00 23.45 C ATOM 790 OE1 GLN A 48 -7.538 6.207 13.826 1.00 1.42 O ATOM 791 NE2 GLN A 48 -7.083 7.196 11.871 1.00 14.44 N ATOM 0 H GLN A 48 -7.098 3.862 9.312 1.00 4.21 H new ATOM 0 HA GLN A 48 -7.820 2.196 11.462 1.00 10.12 H new ATOM 0 HB2 GLN A 48 -8.778 4.957 10.639 1.00 61.34 H new ATOM 0 HB3 GLN A 48 -9.149 4.205 12.177 1.00 61.34 H new ATOM 0 HG2 GLN A 48 -6.708 4.066 12.676 1.00 21.03 H new ATOM 0 HG3 GLN A 48 -6.365 4.867 11.155 1.00 21.03 H new ATOM 0 HE21 GLN A 48 -6.855 7.087 10.883 1.00 14.44 H new ATOM 0 HE22 GLN A 48 -7.172 8.129 12.274 1.00 14.44 H new ATOM 800 N LYS A 49 -10.173 2.702 9.222 1.00 50.21 N ATOM 801 CA LYS A 49 -11.484 2.233 8.773 1.00 64.33 C ATOM 802 C LYS A 49 -11.485 0.731 8.518 1.00 33.33 C ATOM 803 O LYS A 49 -12.402 0.022 8.941 1.00 63.32 O ATOM 804 CB LYS A 49 -11.917 2.971 7.510 1.00 53.20 C ATOM 805 CG LYS A 49 -12.317 4.410 7.748 1.00 52.34 C ATOM 806 CD LYS A 49 -12.614 5.122 6.441 1.00 45.34 C ATOM 807 CE LYS A 49 -13.189 6.507 6.683 1.00 30.21 C ATOM 808 NZ LYS A 49 -12.317 7.327 7.554 1.00 61.01 N ATOM 0 H LYS A 49 -9.710 3.341 8.576 1.00 50.21 H new ATOM 0 HA LYS A 49 -12.194 2.444 9.572 1.00 64.33 H new ATOM 0 HB2 LYS A 49 -11.101 2.946 6.788 1.00 53.20 H new ATOM 0 HB3 LYS A 49 -12.756 2.440 7.061 1.00 53.20 H new ATOM 0 HG2 LYS A 49 -13.196 4.444 8.391 1.00 52.34 H new ATOM 0 HG3 LYS A 49 -11.517 4.930 8.274 1.00 52.34 H new ATOM 0 HD2 LYS A 49 -11.700 5.204 5.853 1.00 45.34 H new ATOM 0 HD3 LYS A 49 -13.318 4.531 5.855 1.00 45.34 H new ATOM 0 HE2 LYS A 49 -13.327 7.014 5.728 1.00 30.21 H new ATOM 0 HE3 LYS A 49 -14.174 6.415 7.140 1.00 30.21 H new ATOM 0 HZ1 LYS A 49 -12.294 8.305 7.200 1.00 61.01 H new ATOM 0 HZ2 LYS A 49 -12.690 7.319 8.525 1.00 61.01 H new ATOM 0 HZ3 LYS A 49 -11.354 6.934 7.549 1.00 61.01 H new ATOM 822 N ILE A 50 -10.458 0.253 7.834 1.00 3.41 N ATOM 823 CA ILE A 50 -10.351 -1.163 7.502 1.00 21.21 C ATOM 824 C ILE A 50 -10.213 -2.014 8.762 1.00 10.12 C ATOM 825 O ILE A 50 -10.894 -3.027 8.914 1.00 45.11 O ATOM 826 CB ILE A 50 -9.156 -1.436 6.558 1.00 43.11 C ATOM 827 CG1 ILE A 50 -9.281 -0.584 5.292 1.00 0.31 C ATOM 828 CG2 ILE A 50 -9.089 -2.919 6.197 1.00 45.23 C ATOM 829 CD1 ILE A 50 -8.073 -0.655 4.384 1.00 42.24 C ATOM 0 H ILE A 50 -9.684 0.824 7.496 1.00 3.41 H new ATOM 0 HA ILE A 50 -11.271 -1.439 6.986 1.00 21.21 H new ATOM 0 HB ILE A 50 -8.234 -1.166 7.073 1.00 43.11 H new ATOM 0 HG12 ILE A 50 -10.161 -0.905 4.735 1.00 0.31 H new ATOM 0 HG13 ILE A 50 -9.447 0.454 5.579 1.00 0.31 H new ATOM 0 HG21 ILE A 50 -8.243 -3.094 5.532 1.00 45.23 H new ATOM 0 HG22 ILE A 50 -8.965 -3.509 7.105 1.00 45.23 H new ATOM 0 HG23 ILE A 50 -10.011 -3.213 5.696 1.00 45.23 H new ATOM 0 HD11 ILE A 50 -8.238 -0.025 3.510 1.00 42.24 H new ATOM 0 HD12 ILE A 50 -7.192 -0.305 4.922 1.00 42.24 H new ATOM 0 HD13 ILE A 50 -7.918 -1.686 4.065 1.00 42.24 H new ATOM 841 N LYS A 51 -9.352 -1.580 9.679 1.00 11.21 N ATOM 842 CA LYS A 51 -9.127 -2.323 10.920 1.00 43.34 C ATOM 843 C LYS A 51 -10.365 -2.317 11.813 1.00 33.13 C ATOM 844 O LYS A 51 -10.524 -3.183 12.670 1.00 64.34 O ATOM 845 CB LYS A 51 -7.923 -1.777 11.689 1.00 72.31 C ATOM 846 CG LYS A 51 -6.605 -1.894 10.940 1.00 30.20 C ATOM 847 CD LYS A 51 -5.413 -1.722 11.874 1.00 51.24 C ATOM 848 CE LYS A 51 -5.418 -0.369 12.571 1.00 35.43 C ATOM 849 NZ LYS A 51 -4.294 -0.245 13.531 1.00 20.40 N ATOM 0 H LYS A 51 -8.802 -0.726 9.590 1.00 11.21 H new ATOM 0 HA LYS A 51 -8.916 -3.354 10.635 1.00 43.34 H new ATOM 0 HB2 LYS A 51 -8.102 -0.728 11.927 1.00 72.31 H new ATOM 0 HB3 LYS A 51 -7.839 -2.309 12.637 1.00 72.31 H new ATOM 0 HG2 LYS A 51 -6.548 -2.867 10.452 1.00 30.20 H new ATOM 0 HG3 LYS A 51 -6.564 -1.140 10.154 1.00 30.20 H new ATOM 0 HD2 LYS A 51 -5.423 -2.514 12.623 1.00 51.24 H new ATOM 0 HD3 LYS A 51 -4.490 -1.832 11.306 1.00 51.24 H new ATOM 0 HE2 LYS A 51 -5.351 0.425 11.827 1.00 35.43 H new ATOM 0 HE3 LYS A 51 -6.363 -0.234 13.097 1.00 35.43 H new ATOM 0 HZ1 LYS A 51 -4.329 0.689 13.987 1.00 20.40 H new ATOM 0 HZ2 LYS A 51 -4.372 -0.987 14.255 1.00 20.40 H new ATOM 0 HZ3 LYS A 51 -3.392 -0.350 13.024 1.00 20.40 H new ATOM 863 N SER A 52 -11.236 -1.341 11.612 1.00 32.44 N ATOM 864 CA SER A 52 -12.462 -1.253 12.385 1.00 0.51 C ATOM 865 C SER A 52 -13.586 -2.035 11.705 1.00 13.22 C ATOM 866 O SER A 52 -14.709 -2.094 12.206 1.00 33.41 O ATOM 867 CB SER A 52 -12.866 0.209 12.575 1.00 34.02 C ATOM 868 OG SER A 52 -11.832 0.940 13.216 1.00 22.21 O ATOM 0 H SER A 52 -11.116 -0.600 10.921 1.00 32.44 H new ATOM 0 HA SER A 52 -12.284 -1.695 13.365 1.00 0.51 H new ATOM 0 HB2 SER A 52 -13.088 0.658 11.607 1.00 34.02 H new ATOM 0 HB3 SER A 52 -13.778 0.264 13.169 1.00 34.02 H new ATOM 0 HG SER A 52 -11.243 1.335 12.540 1.00 22.21 H new ATOM 874 N GLY A 53 -13.272 -2.632 10.557 1.00 43.50 N ATOM 875 CA GLY A 53 -14.253 -3.404 9.821 1.00 31.12 C ATOM 876 C GLY A 53 -15.291 -2.528 9.153 1.00 61.44 C ATOM 877 O GLY A 53 -16.332 -3.013 8.708 1.00 53.31 O ATOM 0 H GLY A 53 -12.349 -2.593 10.124 1.00 43.50 H new ATOM 0 HA2 GLY A 53 -13.747 -4.004 9.065 1.00 31.12 H new ATOM 0 HA3 GLY A 53 -14.749 -4.098 10.499 1.00 31.12 H new ATOM 881 N GLU A 54 -15.002 -1.241 9.078 1.00 72.21 N ATOM 882 CA GLU A 54 -15.909 -0.281 8.478 1.00 52.04 C ATOM 883 C GLU A 54 -15.891 -0.411 6.972 1.00 31.12 C ATOM 884 O GLU A 54 -16.908 -0.720 6.352 1.00 72.41 O ATOM 885 CB GLU A 54 -15.516 1.137 8.883 1.00 61.42 C ATOM 886 CG GLU A 54 -15.662 1.411 10.365 1.00 35.01 C ATOM 887 CD GLU A 54 -17.098 1.346 10.817 1.00 24.22 C ATOM 888 OE1 GLU A 54 -17.809 2.360 10.686 1.00 12.33 O ATOM 889 OE2 GLU A 54 -17.528 0.286 11.303 1.00 44.03 O ATOM 0 H GLU A 54 -14.135 -0.834 9.430 1.00 72.21 H new ATOM 0 HA GLU A 54 -16.918 -0.486 8.836 1.00 52.04 H new ATOM 0 HB2 GLU A 54 -14.481 1.315 8.590 1.00 61.42 H new ATOM 0 HB3 GLU A 54 -16.131 1.847 8.329 1.00 61.42 H new ATOM 0 HG2 GLU A 54 -15.073 0.686 10.927 1.00 35.01 H new ATOM 0 HG3 GLU A 54 -15.256 2.396 10.592 1.00 35.01 H new ATOM 896 N GLU A 55 -14.730 -0.193 6.398 1.00 51.41 N ATOM 897 CA GLU A 55 -14.554 -0.281 4.970 1.00 1.32 C ATOM 898 C GLU A 55 -13.592 -1.401 4.641 1.00 45.22 C ATOM 899 O GLU A 55 -12.700 -1.713 5.431 1.00 63.42 O ATOM 900 CB GLU A 55 -14.028 1.041 4.413 1.00 13.14 C ATOM 901 CG GLU A 55 -14.989 2.208 4.567 1.00 13.34 C ATOM 902 CD GLU A 55 -16.292 1.990 3.830 1.00 62.25 C ATOM 903 OE1 GLU A 55 -16.271 1.906 2.584 1.00 24.43 O ATOM 904 OE2 GLU A 55 -17.344 1.908 4.482 1.00 62.33 O ATOM 0 H GLU A 55 -13.882 0.050 6.910 1.00 51.41 H new ATOM 0 HA GLU A 55 -15.520 -0.490 4.510 1.00 1.32 H new ATOM 0 HB2 GLU A 55 -13.092 1.287 4.915 1.00 13.14 H new ATOM 0 HB3 GLU A 55 -13.798 0.911 3.355 1.00 13.14 H new ATOM 0 HG2 GLU A 55 -15.197 2.366 5.625 1.00 13.34 H new ATOM 0 HG3 GLU A 55 -14.514 3.116 4.197 1.00 13.34 H new ATOM 911 N ASP A 56 -13.773 -2.006 3.488 1.00 13.32 N ATOM 912 CA ASP A 56 -12.919 -3.102 3.068 1.00 24.41 C ATOM 913 C ASP A 56 -11.714 -2.584 2.316 1.00 53.31 C ATOM 914 O ASP A 56 -11.800 -1.575 1.607 1.00 64.41 O ATOM 915 CB ASP A 56 -13.687 -4.093 2.192 1.00 51.25 C ATOM 916 CG ASP A 56 -14.817 -4.776 2.926 1.00 11.45 C ATOM 917 OD1 ASP A 56 -14.538 -5.639 3.783 1.00 13.34 O ATOM 918 OD2 ASP A 56 -15.991 -4.467 2.636 1.00 35.31 O ATOM 0 H ASP A 56 -14.504 -1.759 2.821 1.00 13.32 H new ATOM 0 HA ASP A 56 -12.581 -3.619 3.966 1.00 24.41 H new ATOM 0 HB2 ASP A 56 -14.089 -3.568 1.325 1.00 51.25 H new ATOM 0 HB3 ASP A 56 -12.997 -4.848 1.816 1.00 51.25 H new ATOM 923 N PHE A 57 -10.596 -3.281 2.461 1.00 12.32 N ATOM 924 CA PHE A 57 -9.359 -2.913 1.787 1.00 43.41 C ATOM 925 C PHE A 57 -9.570 -2.930 0.281 1.00 24.13 C ATOM 926 O PHE A 57 -9.209 -1.986 -0.417 1.00 14.40 O ATOM 927 CB PHE A 57 -8.233 -3.888 2.177 1.00 55.14 C ATOM 928 CG PHE A 57 -6.871 -3.515 1.643 1.00 53.13 C ATOM 929 CD1 PHE A 57 -6.490 -3.869 0.357 1.00 74.11 C ATOM 930 CD2 PHE A 57 -5.973 -2.812 2.430 1.00 22.44 C ATOM 931 CE1 PHE A 57 -5.245 -3.528 -0.129 1.00 44.52 C ATOM 932 CE2 PHE A 57 -4.726 -2.470 1.948 1.00 24.23 C ATOM 933 CZ PHE A 57 -4.363 -2.828 0.668 1.00 62.44 C ATOM 0 H PHE A 57 -10.521 -4.113 3.046 1.00 12.32 H new ATOM 0 HA PHE A 57 -9.071 -1.908 2.094 1.00 43.41 H new ATOM 0 HB2 PHE A 57 -8.180 -3.946 3.264 1.00 55.14 H new ATOM 0 HB3 PHE A 57 -8.491 -4.884 1.817 1.00 55.14 H new ATOM 0 HD1 PHE A 57 -7.176 -4.418 -0.271 1.00 74.11 H new ATOM 0 HD2 PHE A 57 -6.253 -2.528 3.434 1.00 22.44 H new ATOM 0 HE1 PHE A 57 -4.961 -3.809 -1.132 1.00 44.52 H new ATOM 0 HE2 PHE A 57 -4.036 -1.923 2.573 1.00 24.23 H new ATOM 0 HZ PHE A 57 -3.388 -2.561 0.289 1.00 62.44 H new ATOM 943 N GLU A 58 -10.184 -4.004 -0.201 1.00 64.22 N ATOM 944 CA GLU A 58 -10.461 -4.174 -1.624 1.00 71.11 C ATOM 945 C GLU A 58 -11.349 -3.046 -2.140 1.00 33.43 C ATOM 946 O GLU A 58 -11.113 -2.494 -3.219 1.00 44.40 O ATOM 947 CB GLU A 58 -11.152 -5.513 -1.866 1.00 74.31 C ATOM 948 CG GLU A 58 -10.410 -6.708 -1.296 1.00 10.42 C ATOM 949 CD GLU A 58 -11.191 -7.989 -1.455 1.00 55.20 C ATOM 950 OE1 GLU A 58 -12.239 -8.135 -0.796 1.00 60.14 O ATOM 951 OE2 GLU A 58 -10.771 -8.857 -2.242 1.00 23.43 O ATOM 0 H GLU A 58 -10.503 -4.779 0.380 1.00 64.22 H new ATOM 0 HA GLU A 58 -9.513 -4.150 -2.161 1.00 71.11 H new ATOM 0 HB2 GLU A 58 -12.150 -5.478 -1.430 1.00 74.31 H new ATOM 0 HB3 GLU A 58 -11.278 -5.656 -2.939 1.00 74.31 H new ATOM 0 HG2 GLU A 58 -9.446 -6.807 -1.795 1.00 10.42 H new ATOM 0 HG3 GLU A 58 -10.206 -6.537 -0.239 1.00 10.42 H new ATOM 958 N SER A 59 -12.365 -2.708 -1.361 1.00 62.35 N ATOM 959 CA SER A 59 -13.302 -1.665 -1.728 1.00 54.23 C ATOM 960 C SER A 59 -12.616 -0.299 -1.791 1.00 63.24 C ATOM 961 O SER A 59 -12.803 0.450 -2.747 1.00 3.55 O ATOM 962 CB SER A 59 -14.465 -1.637 -0.739 1.00 72.01 C ATOM 963 OG SER A 59 -15.109 -2.904 -0.683 1.00 64.20 O ATOM 0 H SER A 59 -12.560 -3.148 -0.462 1.00 62.35 H new ATOM 0 HA SER A 59 -13.688 -1.887 -2.723 1.00 54.23 H new ATOM 0 HB2 SER A 59 -14.100 -1.365 0.251 1.00 72.01 H new ATOM 0 HB3 SER A 59 -15.182 -0.872 -1.035 1.00 72.01 H new ATOM 0 HG SER A 59 -15.850 -2.866 -0.043 1.00 64.20 H new ATOM 969 N LEU A 60 -11.819 0.016 -0.779 1.00 40.13 N ATOM 970 CA LEU A 60 -11.119 1.292 -0.740 1.00 55.32 C ATOM 971 C LEU A 60 -10.057 1.371 -1.824 1.00 42.15 C ATOM 972 O LEU A 60 -9.879 2.414 -2.451 1.00 60.12 O ATOM 973 CB LEU A 60 -10.488 1.533 0.634 1.00 72.45 C ATOM 974 CG LEU A 60 -11.467 1.749 1.790 1.00 30.03 C ATOM 975 CD1 LEU A 60 -10.713 1.979 3.086 1.00 4.50 C ATOM 976 CD2 LEU A 60 -12.393 2.922 1.497 1.00 5.15 C ATOM 0 H LEU A 60 -11.642 -0.591 0.022 1.00 40.13 H new ATOM 0 HA LEU A 60 -11.857 2.073 -0.924 1.00 55.32 H new ATOM 0 HB2 LEU A 60 -9.853 0.680 0.875 1.00 72.45 H new ATOM 0 HB3 LEU A 60 -9.838 2.405 0.566 1.00 72.45 H new ATOM 0 HG LEU A 60 -12.075 0.851 1.898 1.00 30.03 H new ATOM 0 HD11 LEU A 60 -11.424 2.131 3.898 1.00 4.50 H new ATOM 0 HD12 LEU A 60 -10.092 1.110 3.305 1.00 4.50 H new ATOM 0 HD13 LEU A 60 -10.081 2.861 2.987 1.00 4.50 H new ATOM 0 HD21 LEU A 60 -13.081 3.059 2.331 1.00 5.15 H new ATOM 0 HD22 LEU A 60 -11.802 3.828 1.362 1.00 5.15 H new ATOM 0 HD23 LEU A 60 -12.960 2.720 0.588 1.00 5.15 H new ATOM 988 N ALA A 61 -9.368 0.264 -2.056 1.00 61.42 N ATOM 989 CA ALA A 61 -8.313 0.217 -3.055 1.00 71.32 C ATOM 990 C ALA A 61 -8.860 0.433 -4.460 1.00 34.44 C ATOM 991 O ALA A 61 -8.235 1.089 -5.281 1.00 22.55 O ATOM 992 CB ALA A 61 -7.554 -1.093 -2.973 1.00 52.13 C ATOM 0 H ALA A 61 -9.522 -0.616 -1.564 1.00 61.42 H new ATOM 0 HA ALA A 61 -7.622 1.033 -2.841 1.00 71.32 H new ATOM 0 HB1 ALA A 61 -6.769 -1.107 -3.729 1.00 52.13 H new ATOM 0 HB2 ALA A 61 -7.107 -1.193 -1.984 1.00 52.13 H new ATOM 0 HB3 ALA A 61 -8.240 -1.922 -3.147 1.00 52.13 H new ATOM 998 N SER A 62 -10.032 -0.095 -4.723 1.00 4.30 N ATOM 999 CA SER A 62 -10.638 0.034 -6.038 1.00 54.21 C ATOM 1000 C SER A 62 -11.259 1.427 -6.237 1.00 50.54 C ATOM 1001 O SER A 62 -11.709 1.768 -7.335 1.00 4.32 O ATOM 1002 CB SER A 62 -11.700 -1.046 -6.226 1.00 52.04 C ATOM 1003 OG SER A 62 -11.167 -2.334 -5.953 1.00 43.21 O ATOM 0 H SER A 62 -10.589 -0.619 -4.048 1.00 4.30 H new ATOM 0 HA SER A 62 -9.855 -0.091 -6.786 1.00 54.21 H new ATOM 0 HB2 SER A 62 -12.545 -0.850 -5.565 1.00 52.04 H new ATOM 0 HB3 SER A 62 -12.080 -1.014 -7.247 1.00 52.04 H new ATOM 0 HG SER A 62 -11.114 -2.467 -4.984 1.00 43.21 H new ATOM 1009 N GLN A 63 -11.279 2.226 -5.177 1.00 42.01 N ATOM 1010 CA GLN A 63 -11.884 3.546 -5.240 1.00 52.04 C ATOM 1011 C GLN A 63 -10.877 4.677 -5.031 1.00 41.21 C ATOM 1012 O GLN A 63 -10.640 5.473 -5.931 1.00 70.21 O ATOM 1013 CB GLN A 63 -13.019 3.665 -4.225 1.00 31.13 C ATOM 1014 CG GLN A 63 -14.234 2.819 -4.558 1.00 60.44 C ATOM 1015 CD GLN A 63 -15.269 2.837 -3.455 1.00 51.22 C ATOM 1016 OE1 GLN A 63 -16.159 3.690 -3.429 1.00 63.51 O ATOM 1017 NE2 GLN A 63 -15.162 1.900 -2.542 1.00 65.23 N ATOM 0 H GLN A 63 -10.885 1.982 -4.268 1.00 42.01 H new ATOM 0 HA GLN A 63 -12.281 3.654 -6.250 1.00 52.04 H new ATOM 0 HB2 GLN A 63 -12.646 3.376 -3.242 1.00 31.13 H new ATOM 0 HB3 GLN A 63 -13.324 4.709 -4.156 1.00 31.13 H new ATOM 0 HG2 GLN A 63 -14.685 3.183 -5.481 1.00 60.44 H new ATOM 0 HG3 GLN A 63 -13.919 1.792 -4.740 1.00 60.44 H new ATOM 0 HE21 GLN A 63 -14.410 1.213 -2.602 1.00 65.23 H new ATOM 0 HE22 GLN A 63 -15.831 1.858 -1.773 1.00 65.23 H new ATOM 1026 N PHE A 64 -10.274 4.726 -3.855 1.00 22.20 N ATOM 1027 CA PHE A 64 -9.414 5.850 -3.480 1.00 74.44 C ATOM 1028 C PHE A 64 -7.925 5.509 -3.526 1.00 53.24 C ATOM 1029 O PHE A 64 -7.107 6.219 -2.940 1.00 61.53 O ATOM 1030 CB PHE A 64 -9.785 6.336 -2.079 1.00 65.15 C ATOM 1031 CG PHE A 64 -11.191 6.850 -1.959 1.00 53.31 C ATOM 1032 CD1 PHE A 64 -11.522 8.113 -2.423 1.00 55.20 C ATOM 1033 CD2 PHE A 64 -12.180 6.072 -1.378 1.00 2.32 C ATOM 1034 CE1 PHE A 64 -12.812 8.591 -2.310 1.00 51.45 C ATOM 1035 CE2 PHE A 64 -13.472 6.544 -1.262 1.00 25.22 C ATOM 1036 CZ PHE A 64 -13.789 7.806 -1.729 1.00 11.54 C ATOM 0 H PHE A 64 -10.360 4.004 -3.140 1.00 22.20 H new ATOM 0 HA PHE A 64 -9.582 6.636 -4.216 1.00 74.44 H new ATOM 0 HB2 PHE A 64 -9.648 5.516 -1.374 1.00 65.15 H new ATOM 0 HB3 PHE A 64 -9.094 7.127 -1.786 1.00 65.15 H new ATOM 0 HD1 PHE A 64 -10.762 8.731 -2.878 1.00 55.20 H new ATOM 0 HD2 PHE A 64 -11.937 5.085 -1.012 1.00 2.32 H new ATOM 0 HE1 PHE A 64 -13.057 9.577 -2.675 1.00 51.45 H new ATOM 0 HE2 PHE A 64 -14.234 5.928 -0.807 1.00 25.22 H new ATOM 0 HZ PHE A 64 -14.799 8.178 -1.640 1.00 11.54 H new ATOM 1046 N SER A 65 -7.567 4.459 -4.221 1.00 42.22 N ATOM 1047 CA SER A 65 -6.174 4.073 -4.304 1.00 2.52 C ATOM 1048 C SER A 65 -5.606 4.378 -5.677 1.00 3.41 C ATOM 1049 O SER A 65 -6.210 4.057 -6.699 1.00 25.02 O ATOM 1050 CB SER A 65 -6.011 2.598 -3.967 1.00 60.03 C ATOM 1051 OG SER A 65 -4.648 2.188 -4.007 1.00 0.43 O ATOM 0 H SER A 65 -8.212 3.858 -4.735 1.00 42.22 H new ATOM 0 HA SER A 65 -5.614 4.658 -3.574 1.00 2.52 H new ATOM 0 HB2 SER A 65 -6.418 2.406 -2.974 1.00 60.03 H new ATOM 0 HB3 SER A 65 -6.590 2.000 -4.670 1.00 60.03 H new ATOM 0 HG SER A 65 -4.598 1.211 -3.942 1.00 0.43 H new ATOM 1057 N ASP A 66 -4.441 4.994 -5.688 1.00 1.41 N ATOM 1058 CA ASP A 66 -3.761 5.358 -6.916 1.00 12.35 C ATOM 1059 C ASP A 66 -2.753 4.274 -7.282 1.00 34.33 C ATOM 1060 O ASP A 66 -1.885 4.479 -8.129 1.00 3.52 O ATOM 1061 CB ASP A 66 -3.015 6.693 -6.750 1.00 15.43 C ATOM 1062 CG ASP A 66 -3.869 7.814 -6.185 1.00 11.32 C ATOM 1063 OD1 ASP A 66 -4.981 8.046 -6.696 1.00 53.51 O ATOM 1064 OD2 ASP A 66 -3.416 8.474 -5.221 1.00 42.52 O ATOM 0 H ASP A 66 -3.936 5.258 -4.842 1.00 1.41 H new ATOM 0 HA ASP A 66 -4.507 5.462 -7.704 1.00 12.35 H new ATOM 0 HB2 ASP A 66 -2.157 6.539 -6.095 1.00 15.43 H new ATOM 0 HB3 ASP A 66 -2.624 7.002 -7.720 1.00 15.43 H new ATOM 1069 N ASP A 67 -2.867 3.128 -6.628 1.00 23.41 N ATOM 1070 CA ASP A 67 -1.954 2.007 -6.861 1.00 40.13 C ATOM 1071 C ASP A 67 -2.179 1.415 -8.249 1.00 24.42 C ATOM 1072 O ASP A 67 -3.279 1.495 -8.795 1.00 73.33 O ATOM 1073 CB ASP A 67 -2.162 0.919 -5.791 1.00 21.34 C ATOM 1074 CG ASP A 67 -0.998 -0.050 -5.685 1.00 61.14 C ATOM 1075 OD1 ASP A 67 -0.799 -0.850 -6.618 1.00 10.22 O ATOM 1076 OD2 ASP A 67 -0.288 -0.025 -4.649 1.00 4.31 O ATOM 0 H ASP A 67 -3.585 2.944 -5.927 1.00 23.41 H new ATOM 0 HA ASP A 67 -0.931 2.378 -6.798 1.00 40.13 H new ATOM 0 HB2 ASP A 67 -2.318 1.396 -4.823 1.00 21.34 H new ATOM 0 HB3 ASP A 67 -3.070 0.362 -6.021 1.00 21.34 H new ATOM 1081 N SER A 68 -1.141 0.820 -8.808 1.00 15.02 N ATOM 1082 CA SER A 68 -1.229 0.199 -10.117 1.00 5.34 C ATOM 1083 C SER A 68 -2.052 -1.085 -10.022 1.00 54.11 C ATOM 1084 O SER A 68 -2.727 -1.480 -10.972 1.00 1.33 O ATOM 1085 CB SER A 68 0.178 -0.102 -10.651 1.00 1.11 C ATOM 1086 OG SER A 68 0.149 -0.517 -12.014 1.00 32.13 O ATOM 0 H SER A 68 -0.221 0.754 -8.372 1.00 15.02 H new ATOM 0 HA SER A 68 -1.722 0.882 -10.809 1.00 5.34 H new ATOM 0 HB2 SER A 68 0.801 0.787 -10.555 1.00 1.11 H new ATOM 0 HB3 SER A 68 0.638 -0.881 -10.043 1.00 1.11 H new ATOM 0 HG SER A 68 1.062 -0.698 -12.320 1.00 32.13 H new ATOM 1092 N SER A 69 -2.003 -1.717 -8.858 1.00 44.31 N ATOM 1093 CA SER A 69 -2.746 -2.933 -8.614 1.00 74.41 C ATOM 1094 C SER A 69 -4.143 -2.611 -8.095 1.00 13.11 C ATOM 1095 O SER A 69 -5.007 -3.483 -8.034 1.00 25.52 O ATOM 1096 CB SER A 69 -1.999 -3.823 -7.622 1.00 44.20 C ATOM 1097 OG SER A 69 -0.721 -4.182 -8.126 1.00 2.04 O ATOM 0 H SER A 69 -1.448 -1.399 -8.063 1.00 44.31 H new ATOM 0 HA SER A 69 -2.845 -3.472 -9.556 1.00 74.41 H new ATOM 0 HB2 SER A 69 -1.886 -3.301 -6.672 1.00 44.20 H new ATOM 0 HB3 SER A 69 -2.582 -4.722 -7.424 1.00 44.20 H new ATOM 0 HG SER A 69 -0.199 -4.612 -7.417 1.00 2.04 H new ATOM 1103 N ALA A 70 -4.358 -1.343 -7.727 1.00 12.13 N ATOM 1104 CA ALA A 70 -5.654 -0.885 -7.207 1.00 34.30 C ATOM 1105 C ALA A 70 -6.756 -1.109 -8.223 1.00 1.25 C ATOM 1106 O ALA A 70 -7.915 -1.314 -7.866 1.00 52.23 O ATOM 1107 CB ALA A 70 -5.588 0.580 -6.839 1.00 43.24 C ATOM 0 H ALA A 70 -3.649 -0.612 -7.780 1.00 12.13 H new ATOM 0 HA ALA A 70 -5.881 -1.468 -6.314 1.00 34.30 H new ATOM 0 HB1 ALA A 70 -6.556 0.903 -6.456 1.00 43.24 H new ATOM 0 HB2 ALA A 70 -4.827 0.729 -6.073 1.00 43.24 H new ATOM 0 HB3 ALA A 70 -5.334 1.166 -7.722 1.00 43.24 H new ATOM 1113 N LYS A 71 -6.379 -1.092 -9.495 1.00 30.14 N ATOM 1114 CA LYS A 71 -7.315 -1.318 -10.586 1.00 61.44 C ATOM 1115 C LYS A 71 -7.861 -2.748 -10.523 1.00 4.45 C ATOM 1116 O LYS A 71 -8.843 -3.086 -11.183 1.00 63.32 O ATOM 1117 CB LYS A 71 -6.619 -1.080 -11.925 1.00 61.32 C ATOM 1118 CG LYS A 71 -5.884 0.255 -12.007 1.00 43.04 C ATOM 1119 CD LYS A 71 -5.226 0.456 -13.365 1.00 44.11 C ATOM 1120 CE LYS A 71 -6.262 0.598 -14.465 1.00 72.43 C ATOM 1121 NZ LYS A 71 -5.642 0.757 -15.800 1.00 64.22 N ATOM 0 H LYS A 71 -5.420 -0.922 -9.798 1.00 30.14 H new ATOM 0 HA LYS A 71 -8.147 -0.620 -10.490 1.00 61.44 H new ATOM 0 HB2 LYS A 71 -5.908 -1.887 -12.103 1.00 61.32 H new ATOM 0 HB3 LYS A 71 -7.360 -1.126 -12.723 1.00 61.32 H new ATOM 0 HG2 LYS A 71 -6.585 1.068 -11.819 1.00 43.04 H new ATOM 0 HG3 LYS A 71 -5.126 0.301 -11.225 1.00 43.04 H new ATOM 0 HD2 LYS A 71 -4.597 1.346 -13.338 1.00 44.11 H new ATOM 0 HD3 LYS A 71 -4.574 -0.389 -13.584 1.00 44.11 H new ATOM 0 HE2 LYS A 71 -6.908 -0.280 -14.469 1.00 72.43 H new ATOM 0 HE3 LYS A 71 -6.896 1.460 -14.256 1.00 72.43 H new ATOM 0 HZ1 LYS A 71 -6.387 0.850 -16.520 1.00 64.22 H new ATOM 0 HZ2 LYS A 71 -5.045 1.609 -15.806 1.00 64.22 H new ATOM 0 HZ3 LYS A 71 -5.058 -0.076 -16.013 1.00 64.22 H new ATOM 1135 N ALA A 72 -7.207 -3.573 -9.722 1.00 14.53 N ATOM 1136 CA ALA A 72 -7.602 -4.947 -9.520 1.00 31.12 C ATOM 1137 C ALA A 72 -7.774 -5.226 -8.023 1.00 14.51 C ATOM 1138 O ALA A 72 -7.377 -6.279 -7.525 1.00 33.41 O ATOM 1139 CB ALA A 72 -6.564 -5.877 -10.129 1.00 24.35 C ATOM 0 H ALA A 72 -6.380 -3.300 -9.191 1.00 14.53 H new ATOM 0 HA ALA A 72 -8.557 -5.126 -10.014 1.00 31.12 H new ATOM 0 HB1 ALA A 72 -6.867 -6.912 -9.974 1.00 24.35 H new ATOM 0 HB2 ALA A 72 -6.481 -5.680 -11.198 1.00 24.35 H new ATOM 0 HB3 ALA A 72 -5.599 -5.706 -9.653 1.00 24.35 H new ATOM 1145 N ARG A 73 -8.359 -4.242 -7.314 1.00 60.34 N ATOM 1146 CA ARG A 73 -8.655 -4.329 -5.860 1.00 5.20 C ATOM 1147 C ARG A 73 -7.408 -4.177 -4.985 1.00 63.52 C ATOM 1148 O ARG A 73 -7.511 -4.146 -3.763 1.00 2.11 O ATOM 1149 CB ARG A 73 -9.401 -5.631 -5.481 1.00 71.15 C ATOM 1150 CG ARG A 73 -10.876 -5.678 -5.881 1.00 62.21 C ATOM 1151 CD ARG A 73 -11.058 -5.877 -7.375 1.00 24.44 C ATOM 1152 NE ARG A 73 -12.462 -6.073 -7.733 1.00 23.41 N ATOM 1153 CZ ARG A 73 -12.876 -6.761 -8.798 1.00 12.50 C ATOM 1154 NH1 ARG A 73 -11.996 -7.340 -9.604 1.00 21.15 N ATOM 1155 NH2 ARG A 73 -14.170 -6.879 -9.049 1.00 21.43 N ATOM 0 H ARG A 73 -8.644 -3.356 -7.731 1.00 60.34 H new ATOM 0 HA ARG A 73 -9.313 -3.483 -5.660 1.00 5.20 H new ATOM 0 HB2 ARG A 73 -8.888 -6.473 -5.946 1.00 71.15 H new ATOM 0 HB3 ARG A 73 -9.329 -5.771 -4.402 1.00 71.15 H new ATOM 0 HG2 ARG A 73 -11.371 -6.488 -5.345 1.00 62.21 H new ATOM 0 HG3 ARG A 73 -11.363 -4.751 -5.577 1.00 62.21 H new ATOM 0 HD2 ARG A 73 -10.666 -5.010 -7.907 1.00 24.44 H new ATOM 0 HD3 ARG A 73 -10.477 -6.740 -7.700 1.00 24.44 H new ATOM 0 HE ARG A 73 -13.171 -5.657 -7.129 1.00 23.41 H new ATOM 0 HH11 ARG A 73 -10.998 -7.260 -9.411 1.00 21.15 H new ATOM 0 HH12 ARG A 73 -12.318 -7.865 -10.417 1.00 21.15 H new ATOM 0 HH21 ARG A 73 -14.852 -6.444 -8.428 1.00 21.43 H new ATOM 0 HH22 ARG A 73 -14.486 -7.405 -9.864 1.00 21.43 H new ATOM 1169 N GLY A 74 -6.236 -4.102 -5.606 1.00 72.51 N ATOM 1170 CA GLY A 74 -4.990 -3.959 -4.851 1.00 75.05 C ATOM 1171 C GLY A 74 -4.548 -5.264 -4.204 1.00 11.22 C ATOM 1172 O GLY A 74 -3.418 -5.382 -3.715 1.00 45.25 O ATOM 0 H GLY A 74 -6.119 -4.137 -6.619 1.00 72.51 H new ATOM 0 HA2 GLY A 74 -4.204 -3.603 -5.517 1.00 75.05 H new ATOM 0 HA3 GLY A 74 -5.122 -3.201 -4.079 1.00 75.05 H new ATOM 1176 N ASP A 75 -5.438 -6.235 -4.215 1.00 75.13 N ATOM 1177 CA ASP A 75 -5.198 -7.537 -3.622 1.00 72.35 C ATOM 1178 C ASP A 75 -4.428 -8.431 -4.580 1.00 52.21 C ATOM 1179 O ASP A 75 -4.968 -8.887 -5.585 1.00 43.44 O ATOM 1180 CB ASP A 75 -6.539 -8.176 -3.240 1.00 75.21 C ATOM 1181 CG ASP A 75 -6.408 -9.590 -2.726 1.00 13.52 C ATOM 1182 OD1 ASP A 75 -5.979 -9.772 -1.573 1.00 12.45 O ATOM 1183 OD2 ASP A 75 -6.760 -10.530 -3.471 1.00 4.33 O ATOM 0 H ASP A 75 -6.360 -6.142 -4.641 1.00 75.13 H new ATOM 0 HA ASP A 75 -4.592 -7.415 -2.724 1.00 72.35 H new ATOM 0 HB2 ASP A 75 -7.020 -7.564 -2.477 1.00 75.21 H new ATOM 0 HB3 ASP A 75 -7.195 -8.174 -4.111 1.00 75.21 H new ATOM 1188 N LEU A 76 -3.161 -8.660 -4.276 1.00 11.42 N ATOM 1189 CA LEU A 76 -2.314 -9.495 -5.113 1.00 73.53 C ATOM 1190 C LEU A 76 -2.279 -10.916 -4.606 1.00 1.41 C ATOM 1191 O LEU A 76 -2.794 -11.213 -3.536 1.00 21.32 O ATOM 1192 CB LEU A 76 -0.893 -8.944 -5.200 1.00 51.34 C ATOM 1193 CG LEU A 76 -0.722 -7.640 -5.974 1.00 65.13 C ATOM 1194 CD1 LEU A 76 0.747 -7.303 -6.100 1.00 14.35 C ATOM 1195 CD2 LEU A 76 -1.361 -7.740 -7.351 1.00 2.40 C ATOM 0 H LEU A 76 -2.695 -8.278 -3.453 1.00 11.42 H new ATOM 0 HA LEU A 76 -2.749 -9.487 -6.113 1.00 73.53 H new ATOM 0 HB2 LEU A 76 -0.522 -8.792 -4.186 1.00 51.34 H new ATOM 0 HB3 LEU A 76 -0.259 -9.702 -5.661 1.00 51.34 H new ATOM 0 HG LEU A 76 -1.224 -6.843 -5.424 1.00 65.13 H new ATOM 0 HD11 LEU A 76 0.860 -6.371 -6.654 1.00 14.35 H new ATOM 0 HD12 LEU A 76 1.181 -7.190 -5.106 1.00 14.35 H new ATOM 0 HD13 LEU A 76 1.260 -8.105 -6.631 1.00 14.35 H new ATOM 0 HD21 LEU A 76 -1.226 -6.799 -7.884 1.00 2.40 H new ATOM 0 HD22 LEU A 76 -0.889 -8.546 -7.913 1.00 2.40 H new ATOM 0 HD23 LEU A 76 -2.426 -7.947 -7.244 1.00 2.40 H new ATOM 1207 N GLY A 77 -1.675 -11.786 -5.386 1.00 15.24 N ATOM 1208 CA GLY A 77 -1.593 -13.176 -5.021 1.00 13.41 C ATOM 1209 C GLY A 77 -0.296 -13.508 -4.328 1.00 53.50 C ATOM 1210 O GLY A 77 0.256 -12.684 -3.599 1.00 4.01 O ATOM 0 H GLY A 77 -1.235 -11.552 -6.276 1.00 15.24 H new ATOM 0 HA2 GLY A 77 -2.427 -13.428 -4.366 1.00 13.41 H new ATOM 0 HA3 GLY A 77 -1.693 -13.791 -5.915 1.00 13.41 H new ATOM 1214 N ALA A 78 0.194 -14.707 -4.556 1.00 32.14 N ATOM 1215 CA ALA A 78 1.424 -15.156 -3.938 1.00 5.43 C ATOM 1216 C ALA A 78 2.628 -14.699 -4.736 1.00 71.24 C ATOM 1217 O ALA A 78 2.700 -14.915 -5.948 1.00 54.53 O ATOM 1218 CB ALA A 78 1.425 -16.665 -3.810 1.00 15.12 C ATOM 0 H ALA A 78 -0.244 -15.394 -5.170 1.00 32.14 H new ATOM 0 HA ALA A 78 1.486 -14.716 -2.943 1.00 5.43 H new ATOM 0 HB1 ALA A 78 2.355 -16.990 -3.344 1.00 15.12 H new ATOM 0 HB2 ALA A 78 0.582 -16.978 -3.194 1.00 15.12 H new ATOM 0 HB3 ALA A 78 1.339 -17.114 -4.799 1.00 15.12 H new ATOM 1224 N PHE A 79 3.561 -14.066 -4.063 1.00 44.52 N ATOM 1225 CA PHE A 79 4.773 -13.587 -4.695 1.00 21.42 C ATOM 1226 C PHE A 79 5.945 -13.697 -3.733 1.00 31.43 C ATOM 1227 O PHE A 79 5.788 -14.161 -2.603 1.00 44.11 O ATOM 1228 CB PHE A 79 4.601 -12.131 -5.164 1.00 21.32 C ATOM 1229 CG PHE A 79 4.166 -11.183 -4.079 1.00 3.02 C ATOM 1230 CD1 PHE A 79 5.089 -10.640 -3.201 1.00 73.34 C ATOM 1231 CD2 PHE A 79 2.833 -10.837 -3.939 1.00 73.41 C ATOM 1232 CE1 PHE A 79 4.692 -9.774 -2.208 1.00 31.25 C ATOM 1233 CE2 PHE A 79 2.431 -9.970 -2.946 1.00 22.23 C ATOM 1234 CZ PHE A 79 3.363 -9.439 -2.080 1.00 42.41 C ATOM 0 H PHE A 79 3.503 -13.868 -3.064 1.00 44.52 H new ATOM 0 HA PHE A 79 4.976 -14.207 -5.568 1.00 21.42 H new ATOM 0 HB2 PHE A 79 5.545 -11.781 -5.580 1.00 21.32 H new ATOM 0 HB3 PHE A 79 3.868 -12.105 -5.970 1.00 21.32 H new ATOM 0 HD1 PHE A 79 6.133 -10.899 -3.297 1.00 73.34 H new ATOM 0 HD2 PHE A 79 2.100 -11.251 -4.615 1.00 73.41 H new ATOM 0 HE1 PHE A 79 5.422 -9.358 -1.530 1.00 31.25 H new ATOM 0 HE2 PHE A 79 1.388 -9.707 -2.846 1.00 22.23 H new ATOM 0 HZ PHE A 79 3.050 -8.760 -1.301 1.00 42.41 H new ATOM 1244 N SER A 80 7.106 -13.275 -4.179 1.00 24.40 N ATOM 1245 CA SER A 80 8.286 -13.302 -3.353 1.00 11.24 C ATOM 1246 C SER A 80 8.793 -11.879 -3.126 1.00 71.34 C ATOM 1247 O SER A 80 8.389 -10.945 -3.829 1.00 31.14 O ATOM 1248 CB SER A 80 9.368 -14.166 -4.004 1.00 74.23 C ATOM 1249 OG SER A 80 10.480 -14.331 -3.142 1.00 53.43 O ATOM 0 H SER A 80 7.256 -12.906 -5.118 1.00 24.40 H new ATOM 0 HA SER A 80 8.036 -13.740 -2.387 1.00 11.24 H new ATOM 0 HB2 SER A 80 8.954 -15.142 -4.258 1.00 74.23 H new ATOM 0 HB3 SER A 80 9.693 -13.705 -4.937 1.00 74.23 H new ATOM 0 HG SER A 80 11.155 -14.888 -3.582 1.00 53.43 H new ATOM 1255 N ARG A 81 9.684 -11.718 -2.161 1.00 53.42 N ATOM 1256 CA ARG A 81 10.214 -10.403 -1.811 1.00 1.33 C ATOM 1257 C ARG A 81 11.109 -9.830 -2.909 1.00 3.14 C ATOM 1258 O ARG A 81 11.321 -8.616 -2.975 1.00 42.50 O ATOM 1259 CB ARG A 81 10.967 -10.460 -0.485 1.00 42.23 C ATOM 1260 CG ARG A 81 12.146 -11.422 -0.463 1.00 70.11 C ATOM 1261 CD ARG A 81 12.865 -11.358 0.872 1.00 71.23 C ATOM 1262 NE ARG A 81 14.022 -12.246 0.934 1.00 32.05 N ATOM 1263 CZ ARG A 81 15.212 -11.899 1.442 1.00 42.03 C ATOM 1264 NH1 ARG A 81 15.439 -10.646 1.842 1.00 12.13 N ATOM 1265 NH2 ARG A 81 16.178 -12.802 1.534 1.00 24.45 N ATOM 0 H ARG A 81 10.059 -12.484 -1.601 1.00 53.42 H new ATOM 0 HA ARG A 81 9.361 -9.733 -1.705 1.00 1.33 H new ATOM 0 HB2 ARG A 81 11.327 -9.460 -0.244 1.00 42.23 H new ATOM 0 HB3 ARG A 81 10.268 -10.745 0.302 1.00 42.23 H new ATOM 0 HG2 ARG A 81 11.796 -12.438 -0.645 1.00 70.11 H new ATOM 0 HG3 ARG A 81 12.839 -11.175 -1.267 1.00 70.11 H new ATOM 0 HD2 ARG A 81 13.189 -10.334 1.057 1.00 71.23 H new ATOM 0 HD3 ARG A 81 12.168 -11.620 1.668 1.00 71.23 H new ATOM 0 HE ARG A 81 13.918 -13.192 0.567 1.00 32.05 H new ATOM 0 HH11 ARG A 81 14.703 -9.944 1.762 1.00 12.13 H new ATOM 0 HH12 ARG A 81 16.348 -10.391 2.228 1.00 12.13 H new ATOM 0 HH21 ARG A 81 16.014 -13.758 1.218 1.00 24.45 H new ATOM 0 HH22 ARG A 81 17.085 -12.541 1.920 1.00 24.45 H new ATOM 1279 N GLY A 82 11.614 -10.697 -3.779 1.00 4.35 N ATOM 1280 CA GLY A 82 12.472 -10.248 -4.865 1.00 33.43 C ATOM 1281 C GLY A 82 11.702 -9.495 -5.936 1.00 24.53 C ATOM 1282 O GLY A 82 12.294 -8.884 -6.830 1.00 72.11 O ATOM 0 H GLY A 82 11.446 -11.703 -3.754 1.00 4.35 H new ATOM 0 HA2 GLY A 82 13.255 -9.605 -4.464 1.00 33.43 H new ATOM 0 HA3 GLY A 82 12.966 -11.109 -5.314 1.00 33.43 H new ATOM 1286 N GLN A 83 10.384 -9.536 -5.841 1.00 52.13 N ATOM 1287 CA GLN A 83 9.518 -8.863 -6.793 1.00 71.13 C ATOM 1288 C GLN A 83 8.907 -7.609 -6.176 1.00 71.42 C ATOM 1289 O GLN A 83 8.045 -6.965 -6.775 1.00 35.12 O ATOM 1290 CB GLN A 83 8.415 -9.814 -7.249 1.00 74.01 C ATOM 1291 CG GLN A 83 8.925 -11.000 -8.049 1.00 34.12 C ATOM 1292 CD GLN A 83 7.841 -12.014 -8.341 1.00 42.43 C ATOM 1293 OE1 GLN A 83 6.922 -12.208 -7.545 1.00 43.34 O ATOM 1294 NE2 GLN A 83 7.927 -12.655 -9.487 1.00 50.31 N ATOM 0 H GLN A 83 9.886 -10.035 -5.104 1.00 52.13 H new ATOM 0 HA GLN A 83 10.115 -8.564 -7.655 1.00 71.13 H new ATOM 0 HB2 GLN A 83 7.879 -10.181 -6.374 1.00 74.01 H new ATOM 0 HB3 GLN A 83 7.697 -9.260 -7.854 1.00 74.01 H new ATOM 0 HG2 GLN A 83 9.348 -10.645 -8.989 1.00 34.12 H new ATOM 0 HG3 GLN A 83 9.732 -11.484 -7.499 1.00 34.12 H new ATOM 0 HE21 GLN A 83 8.704 -12.466 -10.120 1.00 50.31 H new ATOM 0 HE22 GLN A 83 7.216 -13.341 -9.742 1.00 50.31 H new ATOM 1303 N MET A 84 9.365 -7.263 -4.981 1.00 73.15 N ATOM 1304 CA MET A 84 8.855 -6.098 -4.268 1.00 22.24 C ATOM 1305 C MET A 84 10.000 -5.247 -3.743 1.00 52.23 C ATOM 1306 O MET A 84 11.169 -5.583 -3.938 1.00 53.41 O ATOM 1307 CB MET A 84 7.952 -6.532 -3.109 1.00 33.12 C ATOM 1308 CG MET A 84 6.671 -7.215 -3.549 1.00 44.02 C ATOM 1309 SD MET A 84 5.588 -6.122 -4.489 1.00 43.30 S ATOM 1310 CE MET A 84 4.269 -7.252 -4.916 1.00 11.44 C ATOM 0 H MET A 84 10.093 -7.775 -4.482 1.00 73.15 H new ATOM 0 HA MET A 84 8.269 -5.502 -4.967 1.00 22.24 H new ATOM 0 HB2 MET A 84 8.509 -7.209 -2.461 1.00 33.12 H new ATOM 0 HB3 MET A 84 7.698 -5.656 -2.512 1.00 33.12 H new ATOM 0 HG2 MET A 84 6.918 -8.085 -4.157 1.00 44.02 H new ATOM 0 HG3 MET A 84 6.139 -7.580 -2.671 1.00 44.02 H new ATOM 0 HE1 MET A 84 3.747 -6.885 -5.800 1.00 11.44 H new ATOM 0 HE2 MET A 84 4.687 -8.237 -5.124 1.00 11.44 H new ATOM 0 HE3 MET A 84 3.568 -7.324 -4.085 1.00 11.44 H new ATOM 1320 N GLN A 85 9.663 -4.144 -3.084 1.00 70.15 N ATOM 1321 CA GLN A 85 10.669 -3.250 -2.521 1.00 65.24 C ATOM 1322 C GLN A 85 11.150 -3.765 -1.168 1.00 24.24 C ATOM 1323 O GLN A 85 10.543 -4.669 -0.586 1.00 40.12 O ATOM 1324 CB GLN A 85 10.109 -1.830 -2.367 1.00 71.35 C ATOM 1325 CG GLN A 85 9.630 -1.202 -3.667 1.00 11.33 C ATOM 1326 CD GLN A 85 10.703 -1.180 -4.737 1.00 72.33 C ATOM 1327 OE1 GLN A 85 10.829 -2.119 -5.524 1.00 72.52 O ATOM 1328 NE2 GLN A 85 11.478 -0.118 -4.776 1.00 3.04 N ATOM 0 H GLN A 85 8.700 -3.847 -2.926 1.00 70.15 H new ATOM 0 HA GLN A 85 11.514 -3.222 -3.209 1.00 65.24 H new ATOM 0 HB2 GLN A 85 9.279 -1.854 -1.661 1.00 71.35 H new ATOM 0 HB3 GLN A 85 10.879 -1.193 -1.932 1.00 71.35 H new ATOM 0 HG2 GLN A 85 8.766 -1.755 -4.036 1.00 11.33 H new ATOM 0 HG3 GLN A 85 9.296 -0.183 -3.472 1.00 11.33 H new ATOM 0 HE21 GLN A 85 11.341 0.638 -4.106 1.00 3.04 H new ATOM 0 HE22 GLN A 85 12.216 -0.051 -5.477 1.00 3.04 H new ATOM 1337 N LYS A 86 12.233 -3.184 -0.668 1.00 73.20 N ATOM 1338 CA LYS A 86 12.796 -3.580 0.620 1.00 44.02 C ATOM 1339 C LYS A 86 11.824 -3.278 1.788 1.00 31.13 C ATOM 1340 O LYS A 86 11.568 -4.158 2.609 1.00 65.12 O ATOM 1341 CB LYS A 86 14.165 -2.914 0.857 1.00 4.43 C ATOM 1342 CG LYS A 86 14.952 -3.505 2.021 1.00 25.00 C ATOM 1343 CD LYS A 86 15.431 -4.916 1.706 1.00 12.22 C ATOM 1344 CE LYS A 86 16.243 -5.503 2.851 1.00 44.52 C ATOM 1345 NZ LYS A 86 15.417 -5.729 4.063 1.00 35.23 N ATOM 0 H LYS A 86 12.742 -2.434 -1.136 1.00 73.20 H new ATOM 0 HA LYS A 86 12.945 -4.659 0.589 1.00 44.02 H new ATOM 0 HB2 LYS A 86 14.761 -3.000 -0.051 1.00 4.43 H new ATOM 0 HB3 LYS A 86 14.013 -1.850 1.038 1.00 4.43 H new ATOM 0 HG2 LYS A 86 15.809 -2.869 2.243 1.00 25.00 H new ATOM 0 HG3 LYS A 86 14.327 -3.522 2.914 1.00 25.00 H new ATOM 0 HD2 LYS A 86 14.572 -5.555 1.504 1.00 12.22 H new ATOM 0 HD3 LYS A 86 16.037 -4.901 0.800 1.00 12.22 H new ATOM 0 HE2 LYS A 86 16.686 -6.447 2.534 1.00 44.52 H new ATOM 0 HE3 LYS A 86 17.066 -4.830 3.094 1.00 44.52 H new ATOM 0 HZ1 LYS A 86 15.873 -6.443 4.666 1.00 35.23 H new ATOM 0 HZ2 LYS A 86 15.324 -4.838 4.591 1.00 35.23 H new ATOM 0 HZ3 LYS A 86 14.474 -6.065 3.782 1.00 35.23 H new ATOM 1359 N PRO A 87 11.255 -2.030 1.886 1.00 21.41 N ATOM 1360 CA PRO A 87 10.298 -1.697 2.954 1.00 0.40 C ATOM 1361 C PRO A 87 9.049 -2.561 2.867 1.00 23.01 C ATOM 1362 O PRO A 87 8.466 -2.935 3.882 1.00 44.41 O ATOM 1363 CB PRO A 87 9.948 -0.224 2.690 1.00 13.32 C ATOM 1364 CG PRO A 87 11.067 0.289 1.856 1.00 11.12 C ATOM 1365 CD PRO A 87 11.506 -0.865 1.010 1.00 12.31 C ATOM 0 HA PRO A 87 10.713 -1.868 3.947 1.00 0.40 H new ATOM 0 HB2 PRO A 87 8.994 -0.131 2.172 1.00 13.32 H new ATOM 0 HB3 PRO A 87 9.861 0.335 3.622 1.00 13.32 H new ATOM 0 HG2 PRO A 87 10.742 1.126 1.238 1.00 11.12 H new ATOM 0 HG3 PRO A 87 11.885 0.651 2.479 1.00 11.12 H new ATOM 0 HD2 PRO A 87 10.936 -0.926 0.083 1.00 12.31 H new ATOM 0 HD3 PRO A 87 12.557 -0.786 0.733 1.00 12.31 H new ATOM 1373 N PHE A 88 8.655 -2.887 1.639 1.00 31.52 N ATOM 1374 CA PHE A 88 7.501 -3.737 1.401 1.00 72.55 C ATOM 1375 C PHE A 88 7.777 -5.122 1.972 1.00 23.21 C ATOM 1376 O PHE A 88 6.940 -5.710 2.663 1.00 15.11 O ATOM 1377 CB PHE A 88 7.220 -3.830 -0.109 1.00 54.44 C ATOM 1378 CG PHE A 88 5.897 -4.462 -0.458 1.00 72.12 C ATOM 1379 CD1 PHE A 88 5.700 -5.827 -0.317 1.00 14.10 C ATOM 1380 CD2 PHE A 88 4.851 -3.687 -0.925 1.00 34.23 C ATOM 1381 CE1 PHE A 88 4.488 -6.403 -0.634 1.00 4.24 C ATOM 1382 CE2 PHE A 88 3.636 -4.258 -1.244 1.00 73.25 C ATOM 1383 CZ PHE A 88 3.454 -5.618 -1.098 1.00 54.43 C ATOM 0 H PHE A 88 9.124 -2.571 0.790 1.00 31.52 H new ATOM 0 HA PHE A 88 6.625 -3.312 1.890 1.00 72.55 H new ATOM 0 HB2 PHE A 88 7.253 -2.827 -0.535 1.00 54.44 H new ATOM 0 HB3 PHE A 88 8.018 -4.403 -0.580 1.00 54.44 H new ATOM 0 HD1 PHE A 88 6.506 -6.447 0.046 1.00 14.10 H new ATOM 0 HD2 PHE A 88 4.987 -2.622 -1.041 1.00 34.23 H new ATOM 0 HE1 PHE A 88 4.349 -7.468 -0.519 1.00 4.24 H new ATOM 0 HE2 PHE A 88 2.828 -3.641 -1.608 1.00 73.25 H new ATOM 0 HZ PHE A 88 2.504 -6.067 -1.347 1.00 54.43 H new ATOM 1393 N GLU A 89 8.966 -5.619 1.676 1.00 42.00 N ATOM 1394 CA GLU A 89 9.434 -6.905 2.159 1.00 2.54 C ATOM 1395 C GLU A 89 9.413 -6.955 3.684 1.00 73.21 C ATOM 1396 O GLU A 89 8.715 -7.778 4.284 1.00 5.04 O ATOM 1397 CB GLU A 89 10.868 -7.133 1.668 1.00 53.25 C ATOM 1398 CG GLU A 89 11.589 -8.279 2.354 1.00 70.42 C ATOM 1399 CD GLU A 89 13.084 -8.072 2.396 1.00 20.42 C ATOM 1400 OE1 GLU A 89 13.567 -7.431 3.350 1.00 63.11 O ATOM 1401 OE2 GLU A 89 13.781 -8.546 1.484 1.00 5.30 O ATOM 0 H GLU A 89 9.641 -5.134 1.086 1.00 42.00 H new ATOM 0 HA GLU A 89 8.773 -7.683 1.777 1.00 2.54 H new ATOM 0 HB2 GLU A 89 10.846 -7.324 0.595 1.00 53.25 H new ATOM 0 HB3 GLU A 89 11.441 -6.218 1.818 1.00 53.25 H new ATOM 0 HG2 GLU A 89 11.211 -8.387 3.371 1.00 70.42 H new ATOM 0 HG3 GLU A 89 11.368 -9.209 1.831 1.00 70.42 H new ATOM 1408 N ASP A 90 10.162 -6.048 4.295 1.00 54.30 N ATOM 1409 CA ASP A 90 10.335 -6.019 5.744 1.00 31.23 C ATOM 1410 C ASP A 90 9.002 -5.873 6.471 1.00 22.24 C ATOM 1411 O ASP A 90 8.815 -6.419 7.560 1.00 12.01 O ATOM 1412 CB ASP A 90 11.289 -4.893 6.137 1.00 73.34 C ATOM 1413 CG ASP A 90 11.919 -5.117 7.492 1.00 34.54 C ATOM 1414 OD1 ASP A 90 12.737 -6.058 7.618 1.00 35.33 O ATOM 1415 OD2 ASP A 90 11.626 -4.346 8.430 1.00 24.21 O ATOM 0 H ASP A 90 10.667 -5.311 3.803 1.00 54.30 H new ATOM 0 HA ASP A 90 10.766 -6.973 6.048 1.00 31.23 H new ATOM 0 HB2 ASP A 90 12.073 -4.806 5.385 1.00 73.34 H new ATOM 0 HB3 ASP A 90 10.747 -3.947 6.143 1.00 73.34 H new ATOM 1420 N ALA A 91 8.076 -5.147 5.866 1.00 31.42 N ATOM 1421 CA ALA A 91 6.758 -4.964 6.446 1.00 64.12 C ATOM 1422 C ALA A 91 5.922 -6.237 6.317 1.00 42.12 C ATOM 1423 O ALA A 91 5.241 -6.637 7.256 1.00 71.11 O ATOM 1424 CB ALA A 91 6.045 -3.794 5.789 1.00 41.40 C ATOM 0 H ALA A 91 8.214 -4.675 4.972 1.00 31.42 H new ATOM 0 HA ALA A 91 6.883 -4.745 7.506 1.00 64.12 H new ATOM 0 HB1 ALA A 91 5.059 -3.672 6.236 1.00 41.40 H new ATOM 0 HB2 ALA A 91 6.626 -2.884 5.937 1.00 41.40 H new ATOM 0 HB3 ALA A 91 5.938 -3.986 4.721 1.00 41.40 H new ATOM 1430 N SER A 92 6.001 -6.879 5.158 1.00 50.41 N ATOM 1431 CA SER A 92 5.236 -8.096 4.896 1.00 13.31 C ATOM 1432 C SER A 92 5.647 -9.237 5.827 1.00 23.25 C ATOM 1433 O SER A 92 4.796 -9.964 6.340 1.00 54.44 O ATOM 1434 CB SER A 92 5.397 -8.525 3.438 1.00 32.22 C ATOM 1435 OG SER A 92 4.857 -7.551 2.561 1.00 24.35 O ATOM 0 H SER A 92 6.589 -6.577 4.381 1.00 50.41 H new ATOM 0 HA SER A 92 4.188 -7.869 5.090 1.00 13.31 H new ATOM 0 HB2 SER A 92 6.453 -8.676 3.214 1.00 32.22 H new ATOM 0 HB3 SER A 92 4.897 -9.480 3.279 1.00 32.22 H new ATOM 0 HG SER A 92 4.007 -7.875 2.196 1.00 24.35 H new ATOM 1441 N PHE A 93 6.947 -9.383 6.054 1.00 52.13 N ATOM 1442 CA PHE A 93 7.455 -10.448 6.916 1.00 12.14 C ATOM 1443 C PHE A 93 7.164 -10.172 8.386 1.00 33.03 C ATOM 1444 O PHE A 93 7.239 -11.074 9.221 1.00 22.12 O ATOM 1445 CB PHE A 93 8.949 -10.677 6.687 1.00 13.52 C ATOM 1446 CG PHE A 93 9.250 -11.376 5.389 1.00 24.23 C ATOM 1447 CD1 PHE A 93 9.429 -10.659 4.224 1.00 54.14 C ATOM 1448 CD2 PHE A 93 9.345 -12.754 5.340 1.00 43.23 C ATOM 1449 CE1 PHE A 93 9.697 -11.299 3.033 1.00 3.24 C ATOM 1450 CE2 PHE A 93 9.614 -13.404 4.150 1.00 52.54 C ATOM 1451 CZ PHE A 93 9.790 -12.674 2.994 1.00 21.23 C ATOM 0 H PHE A 93 7.668 -8.781 5.656 1.00 52.13 H new ATOM 0 HA PHE A 93 6.927 -11.362 6.645 1.00 12.14 H new ATOM 0 HB2 PHE A 93 9.464 -9.716 6.703 1.00 13.52 H new ATOM 0 HB3 PHE A 93 9.350 -11.267 7.511 1.00 13.52 H new ATOM 0 HD1 PHE A 93 9.358 -9.582 4.245 1.00 54.14 H new ATOM 0 HD2 PHE A 93 9.207 -13.330 6.243 1.00 43.23 H new ATOM 0 HE1 PHE A 93 9.834 -10.723 2.130 1.00 3.24 H new ATOM 0 HE2 PHE A 93 9.686 -14.481 4.126 1.00 52.54 H new ATOM 0 HZ PHE A 93 10.000 -13.177 2.062 1.00 21.23 H new ATOM 1461 N ALA A 94 6.826 -8.931 8.697 1.00 15.20 N ATOM 1462 CA ALA A 94 6.467 -8.562 10.055 1.00 53.34 C ATOM 1463 C ALA A 94 5.026 -8.964 10.334 1.00 73.44 C ATOM 1464 O ALA A 94 4.622 -9.147 11.482 1.00 12.31 O ATOM 1465 CB ALA A 94 6.650 -7.069 10.264 1.00 21.22 C ATOM 0 H ALA A 94 6.793 -8.163 8.027 1.00 15.20 H new ATOM 0 HA ALA A 94 7.122 -9.088 10.750 1.00 53.34 H new ATOM 0 HB1 ALA A 94 6.377 -6.809 11.287 1.00 21.22 H new ATOM 0 HB2 ALA A 94 7.692 -6.802 10.088 1.00 21.22 H new ATOM 0 HB3 ALA A 94 6.013 -6.523 9.568 1.00 21.22 H new ATOM 1471 N LEU A 95 4.263 -9.108 9.267 1.00 41.44 N ATOM 1472 CA LEU A 95 2.869 -9.492 9.355 1.00 2.22 C ATOM 1473 C LEU A 95 2.757 -11.004 9.263 1.00 10.35 C ATOM 1474 O LEU A 95 3.592 -11.649 8.635 1.00 53.45 O ATOM 1475 CB LEU A 95 2.081 -8.849 8.209 1.00 31.11 C ATOM 1476 CG LEU A 95 2.331 -7.356 7.984 1.00 24.31 C ATOM 1477 CD1 LEU A 95 1.520 -6.848 6.805 1.00 74.44 C ATOM 1478 CD2 LEU A 95 2.014 -6.561 9.237 1.00 41.51 C ATOM 0 H LEU A 95 4.594 -8.961 8.313 1.00 41.44 H new ATOM 0 HA LEU A 95 2.459 -9.152 10.306 1.00 2.22 H new ATOM 0 HB2 LEU A 95 2.318 -9.381 7.287 1.00 31.11 H new ATOM 0 HB3 LEU A 95 1.017 -8.996 8.397 1.00 31.11 H new ATOM 0 HG LEU A 95 3.388 -7.219 7.755 1.00 24.31 H new ATOM 0 HD11 LEU A 95 1.712 -5.785 6.662 1.00 74.44 H new ATOM 0 HD12 LEU A 95 1.806 -7.392 5.905 1.00 74.44 H new ATOM 0 HD13 LEU A 95 0.459 -7.002 7.000 1.00 74.44 H new ATOM 0 HD21 LEU A 95 2.199 -5.503 9.053 1.00 41.51 H new ATOM 0 HD22 LEU A 95 0.967 -6.705 9.504 1.00 41.51 H new ATOM 0 HD23 LEU A 95 2.648 -6.903 10.055 1.00 41.51 H new ATOM 1490 N ARG A 96 1.743 -11.576 9.888 1.00 24.42 N ATOM 1491 CA ARG A 96 1.562 -13.018 9.831 1.00 3.54 C ATOM 1492 C ARG A 96 0.452 -13.386 8.849 1.00 54.40 C ATOM 1493 O ARG A 96 0.723 -13.822 7.735 1.00 73.22 O ATOM 1494 CB ARG A 96 1.271 -13.605 11.220 1.00 3.41 C ATOM 1495 CG ARG A 96 2.311 -13.259 12.284 1.00 13.42 C ATOM 1496 CD ARG A 96 3.729 -13.568 11.824 1.00 2.22 C ATOM 1497 NE ARG A 96 3.887 -14.952 11.374 1.00 43.11 N ATOM 1498 CZ ARG A 96 5.032 -15.461 10.922 1.00 23.10 C ATOM 1499 NH1 ARG A 96 6.132 -14.717 10.910 1.00 32.45 N ATOM 1500 NH2 ARG A 96 5.077 -16.717 10.488 1.00 11.04 N ATOM 0 H ARG A 96 1.042 -11.075 10.433 1.00 24.42 H new ATOM 0 HA ARG A 96 2.497 -13.453 9.476 1.00 3.54 H new ATOM 0 HB2 ARG A 96 0.296 -13.250 11.554 1.00 3.41 H new ATOM 0 HB3 ARG A 96 1.203 -14.690 11.135 1.00 3.41 H new ATOM 0 HG2 ARG A 96 2.234 -12.201 12.534 1.00 13.42 H new ATOM 0 HG3 ARG A 96 2.096 -13.818 13.195 1.00 13.42 H new ATOM 0 HD2 ARG A 96 3.998 -12.893 11.012 1.00 2.22 H new ATOM 0 HD3 ARG A 96 4.423 -13.375 12.642 1.00 2.22 H new ATOM 0 HE ARG A 96 3.071 -15.563 11.409 1.00 43.11 H new ATOM 0 HH11 ARG A 96 6.101 -13.755 11.247 1.00 32.45 H new ATOM 0 HH12 ARG A 96 7.008 -15.108 10.564 1.00 32.45 H new ATOM 0 HH21 ARG A 96 4.234 -17.292 10.501 1.00 11.04 H new ATOM 0 HH22 ARG A 96 5.954 -17.106 10.142 1.00 11.04 H new ATOM 1514 N THR A 97 -0.791 -13.206 9.262 1.00 5.01 N ATOM 1515 CA THR A 97 -1.941 -13.503 8.417 1.00 5.45 C ATOM 1516 C THR A 97 -3.158 -12.721 8.906 1.00 32.34 C ATOM 1517 O THR A 97 -3.716 -13.021 9.960 1.00 24.53 O ATOM 1518 CB THR A 97 -2.268 -15.021 8.410 1.00 44.11 C ATOM 1519 OG1 THR A 97 -1.111 -15.770 7.994 1.00 61.13 O ATOM 1520 CG2 THR A 97 -3.420 -15.321 7.463 1.00 25.42 C ATOM 0 H THR A 97 -1.034 -12.852 10.187 1.00 5.01 H new ATOM 0 HA THR A 97 -1.692 -13.205 7.398 1.00 5.45 H new ATOM 0 HB THR A 97 -2.554 -15.311 9.421 1.00 44.11 H new ATOM 0 HG1 THR A 97 -0.484 -15.174 7.533 1.00 61.13 H new ATOM 0 HG21 THR A 97 -3.631 -16.390 7.474 1.00 25.42 H new ATOM 0 HG22 THR A 97 -4.306 -14.772 7.783 1.00 25.42 H new ATOM 0 HG23 THR A 97 -3.149 -15.016 6.452 1.00 25.42 H new ATOM 1528 N GLY A 98 -3.551 -11.713 8.146 1.00 74.04 N ATOM 1529 CA GLY A 98 -4.670 -10.879 8.537 1.00 30.33 C ATOM 1530 C GLY A 98 -4.205 -9.622 9.237 1.00 5.32 C ATOM 1531 O GLY A 98 -5.011 -8.839 9.739 1.00 50.02 O ATOM 0 H GLY A 98 -3.114 -11.455 7.261 1.00 74.04 H new ATOM 0 HA2 GLY A 98 -5.252 -10.612 7.655 1.00 30.33 H new ATOM 0 HA3 GLY A 98 -5.331 -11.441 9.197 1.00 30.33 H new ATOM 1535 N GLU A 99 -2.899 -9.429 9.262 1.00 52.43 N ATOM 1536 CA GLU A 99 -2.305 -8.275 9.906 1.00 42.44 C ATOM 1537 C GLU A 99 -1.951 -7.220 8.859 1.00 32.05 C ATOM 1538 O GLU A 99 -1.585 -7.556 7.723 1.00 64.24 O ATOM 1539 CB GLU A 99 -1.047 -8.698 10.680 1.00 1.34 C ATOM 1540 CG GLU A 99 -0.470 -7.619 11.585 1.00 32.05 C ATOM 1541 CD GLU A 99 -1.367 -7.300 12.758 1.00 45.33 C ATOM 1542 OE1 GLU A 99 -2.303 -6.499 12.590 1.00 60.51 O ATOM 1543 OE2 GLU A 99 -1.137 -7.851 13.858 1.00 22.10 O ATOM 0 H GLU A 99 -2.224 -10.065 8.838 1.00 52.43 H new ATOM 0 HA GLU A 99 -3.022 -7.848 10.607 1.00 42.44 H new ATOM 0 HB2 GLU A 99 -1.285 -9.573 11.285 1.00 1.34 H new ATOM 0 HB3 GLU A 99 -0.282 -9.003 9.966 1.00 1.34 H new ATOM 0 HG2 GLU A 99 0.503 -7.943 11.955 1.00 32.05 H new ATOM 0 HG3 GLU A 99 -0.304 -6.713 11.003 1.00 32.05 H new ATOM 1550 N MET A 100 -2.074 -5.962 9.234 1.00 44.15 N ATOM 1551 CA MET A 100 -1.755 -4.853 8.350 1.00 73.31 C ATOM 1552 C MET A 100 -0.562 -4.093 8.904 1.00 11.34 C ATOM 1553 O MET A 100 -0.466 -3.888 10.116 1.00 62.55 O ATOM 1554 CB MET A 100 -2.964 -3.918 8.218 1.00 71.22 C ATOM 1555 CG MET A 100 -2.734 -2.721 7.305 1.00 45.51 C ATOM 1556 SD MET A 100 -4.185 -1.655 7.172 1.00 65.20 S ATOM 1557 CE MET A 100 -5.360 -2.770 6.409 1.00 25.04 C ATOM 0 H MET A 100 -2.397 -5.678 10.159 1.00 44.15 H new ATOM 0 HA MET A 100 -1.507 -5.240 7.361 1.00 73.31 H new ATOM 0 HB2 MET A 100 -3.812 -4.490 7.841 1.00 71.22 H new ATOM 0 HB3 MET A 100 -3.239 -3.557 9.209 1.00 71.22 H new ATOM 0 HG2 MET A 100 -1.894 -2.138 7.682 1.00 45.51 H new ATOM 0 HG3 MET A 100 -2.456 -3.075 6.312 1.00 45.51 H new ATOM 0 HE1 MET A 100 -6.036 -2.204 5.768 1.00 25.04 H new ATOM 0 HE2 MET A 100 -4.826 -3.508 5.811 1.00 25.04 H new ATOM 0 HE3 MET A 100 -5.935 -3.278 7.183 1.00 25.04 H new ATOM 1567 N SER A 101 0.348 -3.686 8.035 1.00 2.43 N ATOM 1568 CA SER A 101 1.531 -2.974 8.474 1.00 75.45 C ATOM 1569 C SER A 101 1.210 -1.510 8.751 1.00 35.55 C ATOM 1570 O SER A 101 1.108 -1.094 9.907 1.00 43.41 O ATOM 1571 CB SER A 101 2.657 -3.111 7.441 1.00 22.14 C ATOM 1572 OG SER A 101 2.235 -2.682 6.153 1.00 65.42 O ATOM 0 H SER A 101 0.289 -3.836 7.028 1.00 2.43 H new ATOM 0 HA SER A 101 1.875 -3.420 9.407 1.00 75.45 H new ATOM 0 HB2 SER A 101 3.517 -2.522 7.758 1.00 22.14 H new ATOM 0 HB3 SER A 101 2.983 -4.150 7.391 1.00 22.14 H new ATOM 0 HG SER A 101 3.016 -2.414 5.625 1.00 65.42 H new ATOM 1578 N GLY A 102 1.023 -0.744 7.699 1.00 55.02 N ATOM 1579 CA GLY A 102 0.718 0.649 7.853 1.00 22.11 C ATOM 1580 C GLY A 102 1.206 1.465 6.684 1.00 31.02 C ATOM 1581 O GLY A 102 1.211 0.978 5.551 1.00 74.34 O ATOM 0 H GLY A 102 1.078 -1.067 6.733 1.00 55.02 H new ATOM 0 HA2 GLY A 102 -0.360 0.775 7.959 1.00 22.11 H new ATOM 0 HA3 GLY A 102 1.174 1.021 8.771 1.00 22.11 H new ATOM 1585 N PRO A 103 1.634 2.709 6.929 1.00 51.51 N ATOM 1586 CA PRO A 103 2.099 3.603 5.880 1.00 3.51 C ATOM 1587 C PRO A 103 3.541 3.319 5.438 1.00 12.42 C ATOM 1588 O PRO A 103 4.495 3.524 6.196 1.00 20.13 O ATOM 1589 CB PRO A 103 1.999 4.985 6.528 1.00 13.31 C ATOM 1590 CG PRO A 103 2.193 4.740 7.988 1.00 63.33 C ATOM 1591 CD PRO A 103 1.688 3.343 8.264 1.00 0.13 C ATOM 0 HA PRO A 103 1.510 3.493 4.970 1.00 3.51 H new ATOM 0 HB2 PRO A 103 2.759 5.661 6.136 1.00 13.31 H new ATOM 0 HB3 PRO A 103 1.031 5.445 6.330 1.00 13.31 H new ATOM 0 HG2 PRO A 103 3.245 4.832 8.260 1.00 63.33 H new ATOM 0 HG3 PRO A 103 1.645 5.474 8.580 1.00 63.33 H new ATOM 0 HD2 PRO A 103 2.356 2.803 8.935 1.00 0.13 H new ATOM 0 HD3 PRO A 103 0.706 3.360 8.737 1.00 0.13 H new ATOM 1599 N VAL A 104 3.683 2.825 4.225 1.00 33.21 N ATOM 1600 CA VAL A 104 4.987 2.579 3.640 1.00 24.14 C ATOM 1601 C VAL A 104 5.336 3.723 2.700 1.00 34.40 C ATOM 1602 O VAL A 104 4.714 3.885 1.646 1.00 22.15 O ATOM 1603 CB VAL A 104 5.020 1.244 2.864 1.00 63.25 C ATOM 1604 CG1 VAL A 104 6.402 0.989 2.278 1.00 41.22 C ATOM 1605 CG2 VAL A 104 4.602 0.096 3.767 1.00 61.41 C ATOM 0 H VAL A 104 2.900 2.583 3.617 1.00 33.21 H new ATOM 0 HA VAL A 104 5.717 2.515 4.447 1.00 24.14 H new ATOM 0 HB VAL A 104 4.311 1.312 2.039 1.00 63.25 H new ATOM 0 HG11 VAL A 104 6.399 0.043 1.737 1.00 41.22 H new ATOM 0 HG12 VAL A 104 6.662 1.797 1.595 1.00 41.22 H new ATOM 0 HG13 VAL A 104 7.136 0.944 3.083 1.00 41.22 H new ATOM 0 HG21 VAL A 104 4.630 -0.838 3.205 1.00 61.41 H new ATOM 0 HG22 VAL A 104 5.286 0.031 4.613 1.00 61.41 H new ATOM 0 HG23 VAL A 104 3.589 0.270 4.131 1.00 61.41 H new ATOM 1615 N PHE A 105 6.316 4.512 3.083 1.00 42.42 N ATOM 1616 CA PHE A 105 6.695 5.688 2.318 1.00 5.20 C ATOM 1617 C PHE A 105 7.575 5.336 1.123 1.00 5.33 C ATOM 1618 O PHE A 105 8.630 4.704 1.267 1.00 50.44 O ATOM 1619 CB PHE A 105 7.397 6.706 3.220 1.00 1.04 C ATOM 1620 CG PHE A 105 6.537 7.192 4.356 1.00 60.53 C ATOM 1621 CD1 PHE A 105 5.666 8.254 4.177 1.00 61.55 C ATOM 1622 CD2 PHE A 105 6.597 6.584 5.601 1.00 11.22 C ATOM 1623 CE1 PHE A 105 4.873 8.701 5.217 1.00 52.10 C ATOM 1624 CE2 PHE A 105 5.805 7.026 6.644 1.00 5.02 C ATOM 1625 CZ PHE A 105 4.942 8.086 6.451 1.00 15.33 C ATOM 0 H PHE A 105 6.871 4.362 3.926 1.00 42.42 H new ATOM 0 HA PHE A 105 5.780 6.131 1.925 1.00 5.20 H new ATOM 0 HB2 PHE A 105 8.303 6.256 3.627 1.00 1.04 H new ATOM 0 HB3 PHE A 105 7.708 7.560 2.618 1.00 1.04 H new ATOM 0 HD1 PHE A 105 5.606 8.738 3.214 1.00 61.55 H new ATOM 0 HD2 PHE A 105 7.271 5.755 5.758 1.00 11.22 H new ATOM 0 HE1 PHE A 105 4.199 9.531 5.064 1.00 52.10 H new ATOM 0 HE2 PHE A 105 5.861 6.543 7.608 1.00 5.02 H new ATOM 0 HZ PHE A 105 4.322 8.434 7.264 1.00 15.33 H new ATOM 1635 N THR A 106 7.124 5.735 -0.053 1.00 23.30 N ATOM 1636 CA THR A 106 7.855 5.525 -1.291 1.00 5.22 C ATOM 1637 C THR A 106 7.811 6.807 -2.124 1.00 63.32 C ATOM 1638 O THR A 106 7.010 7.703 -1.838 1.00 63.10 O ATOM 1639 CB THR A 106 7.261 4.345 -2.111 1.00 70.00 C ATOM 1640 OG1 THR A 106 5.845 4.503 -2.259 1.00 32.32 O ATOM 1641 CG2 THR A 106 7.552 3.006 -1.443 1.00 70.24 C ATOM 0 H THR A 106 6.234 6.217 -0.177 1.00 23.30 H new ATOM 0 HA THR A 106 8.886 5.273 -1.043 1.00 5.22 H new ATOM 0 HB THR A 106 7.734 4.355 -3.093 1.00 70.00 H new ATOM 0 HG1 THR A 106 5.557 5.320 -1.801 1.00 32.32 H new ATOM 0 HG21 THR A 106 7.124 2.201 -2.040 1.00 70.24 H new ATOM 0 HG22 THR A 106 8.630 2.865 -1.364 1.00 70.24 H new ATOM 0 HG23 THR A 106 7.110 2.993 -0.447 1.00 70.24 H new ATOM 1649 N ASP A 107 8.649 6.904 -3.150 1.00 3.21 N ATOM 1650 CA ASP A 107 8.679 8.116 -3.978 1.00 62.14 C ATOM 1651 C ASP A 107 7.423 8.226 -4.837 1.00 12.13 C ATOM 1652 O ASP A 107 7.084 9.300 -5.316 1.00 53.04 O ATOM 1653 CB ASP A 107 9.940 8.181 -4.859 1.00 71.32 C ATOM 1654 CG ASP A 107 9.896 7.240 -6.041 1.00 71.23 C ATOM 1655 OD1 ASP A 107 10.279 6.067 -5.886 1.00 42.33 O ATOM 1656 OD2 ASP A 107 9.489 7.668 -7.138 1.00 62.14 O ATOM 0 H ASP A 107 9.307 6.176 -3.429 1.00 3.21 H new ATOM 0 HA ASP A 107 8.708 8.965 -3.296 1.00 62.14 H new ATOM 0 HB2 ASP A 107 10.069 9.201 -5.221 1.00 71.32 H new ATOM 0 HB3 ASP A 107 10.813 7.946 -4.249 1.00 71.32 H new ATOM 1661 N SER A 108 6.731 7.111 -5.023 1.00 41.02 N ATOM 1662 CA SER A 108 5.496 7.111 -5.788 1.00 22.24 C ATOM 1663 C SER A 108 4.308 7.491 -4.900 1.00 45.30 C ATOM 1664 O SER A 108 3.221 7.796 -5.394 1.00 44.23 O ATOM 1665 CB SER A 108 5.266 5.746 -6.436 1.00 34.13 C ATOM 1666 OG SER A 108 6.330 5.422 -7.316 1.00 33.12 O ATOM 0 H SER A 108 7.004 6.199 -4.656 1.00 41.02 H new ATOM 0 HA SER A 108 5.584 7.857 -6.578 1.00 22.24 H new ATOM 0 HB2 SER A 108 5.181 4.981 -5.664 1.00 34.13 H new ATOM 0 HB3 SER A 108 4.324 5.752 -6.984 1.00 34.13 H new ATOM 0 HG SER A 108 6.165 4.544 -7.719 1.00 33.12 H new ATOM 1672 N GLY A 109 4.532 7.496 -3.594 1.00 45.35 N ATOM 1673 CA GLY A 109 3.482 7.832 -2.658 1.00 41.11 C ATOM 1674 C GLY A 109 3.550 6.979 -1.416 1.00 52.54 C ATOM 1675 O GLY A 109 4.611 6.466 -1.070 1.00 61.41 O ATOM 0 H GLY A 109 5.430 7.271 -3.165 1.00 45.35 H new ATOM 0 HA2 GLY A 109 3.562 8.884 -2.382 1.00 41.11 H new ATOM 0 HA3 GLY A 109 2.512 7.701 -3.137 1.00 41.11 H new ATOM 1679 N ILE A 110 2.438 6.815 -0.748 1.00 4.24 N ATOM 1680 CA ILE A 110 2.401 6.001 0.447 1.00 20.42 C ATOM 1681 C ILE A 110 1.619 4.717 0.188 1.00 21.43 C ATOM 1682 O ILE A 110 0.489 4.756 -0.301 1.00 4.24 O ATOM 1683 CB ILE A 110 1.771 6.764 1.635 1.00 24.51 C ATOM 1684 CG1 ILE A 110 2.464 8.121 1.823 1.00 11.11 C ATOM 1685 CG2 ILE A 110 1.877 5.933 2.911 1.00 42.53 C ATOM 1686 CD1 ILE A 110 1.844 8.983 2.904 1.00 42.31 C ATOM 0 H ILE A 110 1.544 7.232 -1.008 1.00 4.24 H new ATOM 0 HA ILE A 110 3.430 5.754 0.709 1.00 20.42 H new ATOM 0 HB ILE A 110 0.717 6.939 1.419 1.00 24.51 H new ATOM 0 HG12 ILE A 110 3.513 7.952 2.064 1.00 11.11 H new ATOM 0 HG13 ILE A 110 2.438 8.665 0.879 1.00 11.11 H new ATOM 0 HG21 ILE A 110 1.430 6.481 3.740 1.00 42.53 H new ATOM 0 HG22 ILE A 110 1.351 4.988 2.775 1.00 42.53 H new ATOM 0 HG23 ILE A 110 2.926 5.735 3.130 1.00 42.53 H new ATOM 0 HD11 ILE A 110 2.389 9.924 2.976 1.00 42.31 H new ATOM 0 HD12 ILE A 110 0.802 9.185 2.655 1.00 42.31 H new ATOM 0 HD13 ILE A 110 1.894 8.461 3.859 1.00 42.31 H new ATOM 1698 N HIS A 111 2.236 3.584 0.486 1.00 14.23 N ATOM 1699 CA HIS A 111 1.593 2.289 0.298 1.00 43.40 C ATOM 1700 C HIS A 111 1.067 1.747 1.617 1.00 43.32 C ATOM 1701 O HIS A 111 1.619 2.027 2.674 1.00 12.51 O ATOM 1702 CB HIS A 111 2.566 1.253 -0.299 1.00 13.23 C ATOM 1703 CG HIS A 111 2.854 1.397 -1.766 1.00 53.30 C ATOM 1704 ND1 HIS A 111 2.007 0.937 -2.754 1.00 41.51 N ATOM 1705 CD2 HIS A 111 3.933 1.900 -2.410 1.00 1.54 C ATOM 1706 CE1 HIS A 111 2.557 1.146 -3.935 1.00 40.45 C ATOM 1707 NE2 HIS A 111 3.724 1.730 -3.754 1.00 12.14 N ATOM 0 H HIS A 111 3.184 3.533 0.860 1.00 14.23 H new ATOM 0 HA HIS A 111 0.767 2.449 -0.395 1.00 43.40 H new ATOM 0 HB2 HIS A 111 3.509 1.312 0.245 1.00 13.23 H new ATOM 0 HB3 HIS A 111 2.159 0.257 -0.124 1.00 13.23 H new ATOM 0 HD2 HIS A 111 4.799 2.352 -1.950 1.00 1.54 H new ATOM 0 HE1 HIS A 111 2.124 0.883 -4.889 1.00 40.45 H new ATOM 0 HE2 HIS A 111 4.368 2.010 -4.494 1.00 12.14 H new ATOM 1716 N ILE A 112 -0.007 0.989 1.541 1.00 71.54 N ATOM 1717 CA ILE A 112 -0.552 0.297 2.699 1.00 42.40 C ATOM 1718 C ILE A 112 -0.487 -1.193 2.424 1.00 2.34 C ATOM 1719 O ILE A 112 -0.974 -1.652 1.389 1.00 0.41 O ATOM 1720 CB ILE A 112 -2.023 0.691 2.985 1.00 22.22 C ATOM 1721 CG1 ILE A 112 -2.161 2.210 3.119 1.00 71.13 C ATOM 1722 CG2 ILE A 112 -2.520 -0.003 4.250 1.00 71.54 C ATOM 1723 CD1 ILE A 112 -3.582 2.674 3.377 1.00 53.03 C ATOM 0 H ILE A 112 -0.529 0.833 0.678 1.00 71.54 H new ATOM 0 HA ILE A 112 0.035 0.576 3.574 1.00 42.40 H new ATOM 0 HB ILE A 112 -2.636 0.366 2.144 1.00 22.22 H new ATOM 0 HG12 ILE A 112 -1.523 2.553 3.933 1.00 71.13 H new ATOM 0 HG13 ILE A 112 -1.795 2.681 2.207 1.00 71.13 H new ATOM 0 HG21 ILE A 112 -3.555 0.283 4.439 1.00 71.54 H new ATOM 0 HG22 ILE A 112 -2.460 -1.084 4.120 1.00 71.54 H new ATOM 0 HG23 ILE A 112 -1.901 0.295 5.096 1.00 71.54 H new ATOM 0 HD11 ILE A 112 -3.600 3.761 3.460 1.00 53.03 H new ATOM 0 HD12 ILE A 112 -4.222 2.362 2.552 1.00 53.03 H new ATOM 0 HD13 ILE A 112 -3.946 2.233 4.305 1.00 53.03 H new ATOM 1735 N ILE A 113 0.122 -1.943 3.321 1.00 53.10 N ATOM 1736 CA ILE A 113 0.299 -3.369 3.103 1.00 51.53 C ATOM 1737 C ILE A 113 -0.539 -4.205 4.060 1.00 5.14 C ATOM 1738 O ILE A 113 -0.504 -4.009 5.279 1.00 20.40 O ATOM 1739 CB ILE A 113 1.784 -3.781 3.248 1.00 4.44 C ATOM 1740 CG1 ILE A 113 2.661 -2.949 2.314 1.00 42.21 C ATOM 1741 CG2 ILE A 113 1.962 -5.271 2.959 1.00 62.25 C ATOM 1742 CD1 ILE A 113 4.139 -3.213 2.478 1.00 41.02 C ATOM 0 H ILE A 113 0.501 -1.595 4.202 1.00 53.10 H new ATOM 0 HA ILE A 113 -0.036 -3.563 2.084 1.00 51.53 H new ATOM 0 HB ILE A 113 2.093 -3.592 4.276 1.00 4.44 H new ATOM 0 HG12 ILE A 113 2.376 -3.155 1.282 1.00 42.21 H new ATOM 0 HG13 ILE A 113 2.467 -1.891 2.493 1.00 42.21 H new ATOM 0 HG21 ILE A 113 3.013 -5.539 3.067 1.00 62.25 H new ATOM 0 HG22 ILE A 113 1.365 -5.852 3.662 1.00 62.25 H new ATOM 0 HG23 ILE A 113 1.635 -5.486 1.942 1.00 62.25 H new ATOM 0 HD11 ILE A 113 4.700 -2.588 1.783 1.00 41.02 H new ATOM 0 HD12 ILE A 113 4.439 -2.980 3.500 1.00 41.02 H new ATOM 0 HD13 ILE A 113 4.346 -4.263 2.270 1.00 41.02 H new ATOM 1754 N LEU A 114 -1.292 -5.123 3.496 1.00 51.33 N ATOM 1755 CA LEU A 114 -2.064 -6.072 4.262 1.00 54.13 C ATOM 1756 C LEU A 114 -1.641 -7.468 3.841 1.00 22.21 C ATOM 1757 O LEU A 114 -1.522 -7.744 2.652 1.00 11.43 O ATOM 1758 CB LEU A 114 -3.564 -5.870 3.992 1.00 1.41 C ATOM 1759 CG LEU A 114 -4.515 -6.879 4.651 1.00 12.05 C ATOM 1760 CD1 LEU A 114 -4.481 -6.751 6.164 1.00 41.23 C ATOM 1761 CD2 LEU A 114 -5.932 -6.691 4.130 1.00 24.25 C ATOM 0 H LEU A 114 -1.386 -5.232 2.486 1.00 51.33 H new ATOM 0 HA LEU A 114 -1.888 -5.930 5.328 1.00 54.13 H new ATOM 0 HB2 LEU A 114 -3.840 -4.870 4.327 1.00 1.41 H new ATOM 0 HB3 LEU A 114 -3.725 -5.901 2.914 1.00 1.41 H new ATOM 0 HG LEU A 114 -4.179 -7.883 4.391 1.00 12.05 H new ATOM 0 HD11 LEU A 114 -5.163 -7.477 6.606 1.00 41.23 H new ATOM 0 HD12 LEU A 114 -3.469 -6.939 6.522 1.00 41.23 H new ATOM 0 HD13 LEU A 114 -4.786 -5.745 6.451 1.00 41.23 H new ATOM 0 HD21 LEU A 114 -6.594 -7.414 4.607 1.00 24.25 H new ATOM 0 HD22 LEU A 114 -6.273 -5.681 4.358 1.00 24.25 H new ATOM 0 HD23 LEU A 114 -5.946 -6.843 3.051 1.00 24.25 H new ATOM 1773 N ARG A 115 -1.423 -8.347 4.792 1.00 10.43 N ATOM 1774 CA ARG A 115 -0.983 -9.688 4.462 1.00 21.01 C ATOM 1775 C ARG A 115 -2.104 -10.687 4.650 1.00 41.12 C ATOM 1776 O ARG A 115 -2.587 -10.894 5.762 1.00 41.52 O ATOM 1777 CB ARG A 115 0.239 -10.085 5.288 1.00 10.32 C ATOM 1778 CG ARG A 115 0.784 -11.460 4.943 1.00 14.44 C ATOM 1779 CD ARG A 115 2.087 -11.741 5.662 1.00 44.44 C ATOM 1780 NE ARG A 115 2.566 -13.094 5.401 1.00 62.14 N ATOM 1781 CZ ARG A 115 3.794 -13.526 5.667 1.00 45.02 C ATOM 1782 NH1 ARG A 115 4.688 -12.716 6.223 1.00 4.33 N ATOM 1783 NH2 ARG A 115 4.127 -14.775 5.382 1.00 25.34 N ATOM 0 H ARG A 115 -1.540 -8.164 5.789 1.00 10.43 H new ATOM 0 HA ARG A 115 -0.695 -9.694 3.411 1.00 21.01 H new ATOM 0 HB2 ARG A 115 1.024 -9.344 5.139 1.00 10.32 H new ATOM 0 HB3 ARG A 115 -0.024 -10.062 6.345 1.00 10.32 H new ATOM 0 HG2 ARG A 115 0.050 -12.220 5.210 1.00 14.44 H new ATOM 0 HG3 ARG A 115 0.939 -11.531 3.866 1.00 14.44 H new ATOM 0 HD2 ARG A 115 2.841 -11.020 5.344 1.00 44.44 H new ATOM 0 HD3 ARG A 115 1.948 -11.605 6.734 1.00 44.44 H new ATOM 0 HE ARG A 115 1.911 -13.756 4.984 1.00 62.14 H new ATOM 0 HH11 ARG A 115 4.434 -11.754 6.449 1.00 4.33 H new ATOM 0 HH12 ARG A 115 5.629 -13.056 6.424 1.00 4.33 H new ATOM 0 HH21 ARG A 115 3.442 -15.402 4.960 1.00 25.34 H new ATOM 0 HH22 ARG A 115 5.069 -15.111 5.585 1.00 25.34 H new ATOM 1797 N THR A 116 -2.509 -11.303 3.562 1.00 5.22 N ATOM 1798 CA THR A 116 -3.585 -12.264 3.585 1.00 62.11 C ATOM 1799 C THR A 116 -3.060 -13.693 3.734 1.00 24.12 C ATOM 1800 O THR A 116 -3.784 -14.586 4.183 1.00 43.44 O ATOM 1801 CB THR A 116 -4.447 -12.142 2.319 1.00 1.21 C ATOM 1802 OG1 THR A 116 -3.614 -11.771 1.207 1.00 73.31 O ATOM 1803 CG2 THR A 116 -5.539 -11.099 2.508 1.00 0.01 C ATOM 0 H THR A 116 -2.102 -11.151 2.639 1.00 5.22 H new ATOM 0 HA THR A 116 -4.203 -12.043 4.455 1.00 62.11 H new ATOM 0 HB THR A 116 -4.918 -13.105 2.124 1.00 1.21 H new ATOM 0 HG1 THR A 116 -3.923 -10.918 0.837 1.00 73.31 H new ATOM 0 HG21 THR A 116 -6.137 -11.029 1.599 1.00 0.01 H new ATOM 0 HG22 THR A 116 -6.178 -11.389 3.342 1.00 0.01 H new ATOM 0 HG23 THR A 116 -5.085 -10.131 2.718 1.00 0.01 H new ATOM 1811 N GLU A 117 -1.806 -13.907 3.362 1.00 64.20 N ATOM 1812 CA GLU A 117 -1.189 -15.219 3.490 1.00 31.13 C ATOM 1813 C GLU A 117 0.326 -15.086 3.577 1.00 13.41 C ATOM 1814 O GLU A 117 0.994 -15.074 2.521 1.00 0.00 O ATOM 1815 CB GLU A 117 -1.579 -16.122 2.315 1.00 52.43 C ATOM 1816 CG GLU A 117 -1.144 -17.568 2.475 1.00 61.21 C ATOM 1817 CD GLU A 117 -1.478 -18.403 1.263 1.00 11.21 C ATOM 1818 OE1 GLU A 117 -2.603 -18.933 1.195 1.00 52.31 O ATOM 1819 OE2 GLU A 117 -0.618 -18.528 0.367 1.00 30.23 O ATOM 1820 OXT GLU A 117 0.846 -14.989 4.701 1.00 0.00 O ATOM 0 H GLU A 117 -1.197 -13.189 2.969 1.00 64.20 H new ATOM 0 HA GLU A 117 -1.553 -15.679 4.409 1.00 31.13 H new ATOM 0 HB2 GLU A 117 -2.661 -16.091 2.190 1.00 52.43 H new ATOM 0 HB3 GLU A 117 -1.141 -15.721 1.401 1.00 52.43 H new ATOM 0 HG2 GLU A 117 -0.069 -17.604 2.654 1.00 61.21 H new ATOM 0 HG3 GLU A 117 -1.628 -17.996 3.353 1.00 61.21 H new