USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 685 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 15 LYS NZ :NH3+ 161:sc= -0.312 (180deg=-0.892) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 10 HIS : no HD1:sc= -5.27! C(o=-7!,f=-4.4!) USER MOD Set 2.2: A 45 SER OG : rot 68:sc= -1.75 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -128:sc= 1.11 (180deg=-0.21) USER MOD Set 3.2: A 51 ASN : amide:sc= -1.2 K(o=-0.089,f=0.98) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.019) USER MOD Single : A 8 CYS SG : rot -134:sc= -3.16! USER MOD Single : A 9 SER OG : rot 117:sc= 1.29 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= -0.0281 (180deg=-0.204) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 160:sc= -0.0215 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= -0.145 (180deg=-1.46!) USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= 0.188 (180deg=0.0427) USER MOD Single : A 49 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.2) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc=-0.00289 (180deg=-0.111) USER MOD Single : A 72 GLN : amide:sc= -0.545 K(o=-0.54,f=-1.6) USER MOD Single : A 77 SER OG : rot 110:sc= -0.437 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -111:sc= -0.538 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.193 USER MOD Single : A 87 HIS : no HE2:sc= -7.64! C(o=-7.6!,f=-9!) USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= -0.0809 (180deg=-0.0892) USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 -1.776 7.790 -7.111 1.00 55.33 N ATOM 48 CA LYS A 5 -3.069 8.437 -7.301 1.00 14.14 C ATOM 49 C LYS A 5 -4.059 8.002 -6.225 1.00 0.40 C ATOM 50 O LYS A 5 -3.890 6.955 -5.601 1.00 22.24 O ATOM 51 CB LYS A 5 -3.629 8.106 -8.687 1.00 1.22 C ATOM 52 CG LYS A 5 -3.117 6.793 -9.252 1.00 1.23 C ATOM 53 CD LYS A 5 -3.437 5.628 -8.332 1.00 31.52 C ATOM 54 CE LYS A 5 -3.926 4.417 -9.113 1.00 41.23 C ATOM 55 NZ LYS A 5 -2.886 3.905 -10.048 1.00 63.21 N ATOM 0 HA LYS A 5 -2.923 9.514 -7.222 1.00 14.14 H new ATOM 0 HB2 LYS A 5 -4.717 8.068 -8.630 1.00 1.22 H new ATOM 0 HB3 LYS A 5 -3.374 8.912 -9.375 1.00 1.22 H new ATOM 0 HG2 LYS A 5 -3.564 6.618 -10.231 1.00 1.23 H new ATOM 0 HG3 LYS A 5 -2.039 6.855 -9.400 1.00 1.23 H new ATOM 0 HD2 LYS A 5 -2.548 5.359 -7.761 1.00 31.52 H new ATOM 0 HD3 LYS A 5 -4.198 5.930 -7.613 1.00 31.52 H new ATOM 0 HE2 LYS A 5 -4.211 3.627 -8.418 1.00 41.23 H new ATOM 0 HE3 LYS A 5 -4.821 4.684 -9.675 1.00 41.23 H new ATOM 0 HZ1 LYS A 5 -3.225 3.031 -10.499 1.00 63.21 H new ATOM 0 HZ2 LYS A 5 -2.694 4.620 -10.778 1.00 63.21 H new ATOM 0 HZ3 LYS A 5 -2.012 3.706 -9.520 1.00 63.21 H new ATOM 69 N ILE A 6 -5.090 8.813 -6.014 1.00 73.33 N ATOM 70 CA ILE A 6 -6.107 8.509 -5.014 1.00 75.35 C ATOM 71 C ILE A 6 -7.452 9.122 -5.395 1.00 24.13 C ATOM 72 O ILE A 6 -7.510 10.131 -6.097 1.00 51.24 O ATOM 73 CB ILE A 6 -5.699 9.022 -3.622 1.00 22.12 C ATOM 74 CG1 ILE A 6 -5.467 10.533 -3.658 1.00 53.42 C ATOM 75 CG2 ILE A 6 -4.449 8.301 -3.138 1.00 34.54 C ATOM 76 CD1 ILE A 6 -5.818 11.230 -2.361 1.00 63.45 C ATOM 0 H ILE A 6 -5.243 9.685 -6.521 1.00 73.33 H new ATOM 0 HA ILE A 6 -6.201 7.424 -4.979 1.00 75.35 H new ATOM 0 HB ILE A 6 -6.509 8.815 -2.923 1.00 22.12 H new ATOM 0 HG12 ILE A 6 -4.420 10.726 -3.893 1.00 53.42 H new ATOM 0 HG13 ILE A 6 -6.060 10.964 -4.465 1.00 53.42 H new ATOM 0 HG21 ILE A 6 -4.172 8.674 -2.152 1.00 34.54 H new ATOM 0 HG22 ILE A 6 -4.646 7.231 -3.078 1.00 34.54 H new ATOM 0 HG23 ILE A 6 -3.632 8.481 -3.836 1.00 34.54 H new ATOM 0 HD11 ILE A 6 -5.628 12.299 -2.459 1.00 63.45 H new ATOM 0 HD12 ILE A 6 -6.872 11.068 -2.134 1.00 63.45 H new ATOM 0 HD13 ILE A 6 -5.207 10.826 -1.554 1.00 63.45 H new ATOM 88 N LYS A 7 -8.531 8.505 -4.925 1.00 21.43 N ATOM 89 CA LYS A 7 -9.875 8.990 -5.212 1.00 52.11 C ATOM 90 C LYS A 7 -10.199 10.224 -4.376 1.00 73.22 C ATOM 91 O LYS A 7 -9.789 10.326 -3.219 1.00 34.32 O ATOM 92 CB LYS A 7 -10.905 7.891 -4.939 1.00 74.14 C ATOM 93 CG LYS A 7 -11.786 7.572 -6.135 1.00 2.13 C ATOM 94 CD LYS A 7 -13.149 7.061 -5.702 1.00 34.11 C ATOM 95 CE LYS A 7 -14.259 8.019 -6.109 1.00 63.44 C ATOM 96 NZ LYS A 7 -15.606 7.489 -5.761 1.00 33.13 N ATOM 0 H LYS A 7 -8.500 7.668 -4.343 1.00 21.43 H new ATOM 0 HA LYS A 7 -9.917 9.266 -6.266 1.00 52.11 H new ATOM 0 HB2 LYS A 7 -10.384 6.985 -4.630 1.00 74.14 H new ATOM 0 HB3 LYS A 7 -11.536 8.196 -4.104 1.00 74.14 H new ATOM 0 HG2 LYS A 7 -11.909 8.466 -6.746 1.00 2.13 H new ATOM 0 HG3 LYS A 7 -11.297 6.824 -6.759 1.00 2.13 H new ATOM 0 HD2 LYS A 7 -13.330 6.083 -6.147 1.00 34.11 H new ATOM 0 HD3 LYS A 7 -13.162 6.926 -4.620 1.00 34.11 H new ATOM 0 HE2 LYS A 7 -14.108 8.979 -5.616 1.00 63.44 H new ATOM 0 HE3 LYS A 7 -14.207 8.200 -7.183 1.00 63.44 H new ATOM 0 HZ1 LYS A 7 -16.218 7.518 -6.601 1.00 33.13 H new ATOM 0 HZ2 LYS A 7 -15.518 6.507 -5.430 1.00 33.13 H new ATOM 0 HZ3 LYS A 7 -16.024 8.072 -5.008 1.00 33.13 H new ATOM 110 N CYS A 8 -10.937 11.157 -4.967 1.00 23.12 N ATOM 111 CA CYS A 8 -11.316 12.384 -4.276 1.00 23.23 C ATOM 112 C CYS A 8 -12.236 13.235 -5.145 1.00 12.04 C ATOM 113 O CYS A 8 -12.267 13.085 -6.365 1.00 74.43 O ATOM 114 CB CYS A 8 -10.070 13.184 -3.893 1.00 53.14 C ATOM 115 SG CYS A 8 -9.023 13.634 -5.297 1.00 2.20 S ATOM 0 H CYS A 8 -11.285 11.087 -5.923 1.00 23.12 H new ATOM 0 HA CYS A 8 -11.855 12.110 -3.369 1.00 23.23 H new ATOM 0 HB2 CYS A 8 -10.379 14.093 -3.378 1.00 53.14 H new ATOM 0 HB3 CYS A 8 -9.480 12.601 -3.185 1.00 53.14 H new ATOM 0 HG CYS A 8 -7.780 13.383 -5.010 1.00 2.20 H new ATOM 121 N SER A 9 -12.984 14.129 -4.506 1.00 13.21 N ATOM 122 CA SER A 9 -13.909 15.002 -5.220 1.00 35.33 C ATOM 123 C SER A 9 -13.530 16.467 -5.030 1.00 71.34 C ATOM 124 O SER A 9 -12.441 16.781 -4.547 1.00 52.31 O ATOM 125 CB SER A 9 -15.341 14.767 -4.734 1.00 55.12 C ATOM 126 OG SER A 9 -15.672 13.390 -4.770 1.00 20.52 O ATOM 0 H SER A 9 -12.968 14.268 -3.496 1.00 13.21 H new ATOM 0 HA SER A 9 -13.849 14.764 -6.282 1.00 35.33 H new ATOM 0 HB2 SER A 9 -15.450 15.144 -3.717 1.00 55.12 H new ATOM 0 HB3 SER A 9 -16.037 15.328 -5.358 1.00 55.12 H new ATOM 0 HG SER A 9 -15.850 13.072 -3.860 1.00 20.52 H new ATOM 132 N HIS A 10 -14.436 17.360 -5.414 1.00 42.22 N ATOM 133 CA HIS A 10 -14.197 18.794 -5.288 1.00 32.13 C ATOM 134 C HIS A 10 -15.473 19.583 -5.568 1.00 2.34 C ATOM 135 O HIS A 10 -16.286 19.191 -6.405 1.00 12.14 O ATOM 136 CB HIS A 10 -13.090 19.236 -6.245 1.00 62.41 C ATOM 137 CG HIS A 10 -13.395 18.954 -7.684 1.00 21.50 C ATOM 138 ND1 HIS A 10 -13.650 19.944 -8.607 1.00 55.24 N ATOM 139 CD2 HIS A 10 -13.482 17.783 -8.357 1.00 71.41 C ATOM 140 CE1 HIS A 10 -13.884 19.396 -9.786 1.00 23.51 C ATOM 141 NE2 HIS A 10 -13.787 18.084 -9.662 1.00 13.43 N ATOM 0 H HIS A 10 -15.342 17.117 -5.815 1.00 42.22 H new ATOM 0 HA HIS A 10 -13.882 18.996 -4.264 1.00 32.13 H new ATOM 0 HB2 HIS A 10 -12.919 20.305 -6.121 1.00 62.41 H new ATOM 0 HB3 HIS A 10 -12.163 18.732 -5.973 1.00 62.41 H new ATOM 0 HD2 HIS A 10 -13.338 16.795 -7.945 1.00 71.41 H new ATOM 0 HE1 HIS A 10 -14.115 19.929 -10.696 1.00 23.51 H new ATOM 0 HE2 HIS A 10 -13.917 17.406 -10.413 1.00 13.43 H new ATOM 149 N ILE A 11 -15.641 20.697 -4.862 1.00 24.41 N ATOM 150 CA ILE A 11 -16.815 21.541 -5.035 1.00 34.12 C ATOM 151 C ILE A 11 -16.465 23.014 -4.862 1.00 11.44 C ATOM 152 O ILE A 11 -15.953 23.424 -3.818 1.00 32.13 O ATOM 153 CB ILE A 11 -17.929 21.168 -4.037 1.00 43.31 C ATOM 154 CG1 ILE A 11 -18.448 19.758 -4.323 1.00 1.10 C ATOM 155 CG2 ILE A 11 -19.062 22.181 -4.107 1.00 31.43 C ATOM 156 CD1 ILE A 11 -19.408 19.244 -3.273 1.00 73.24 C ATOM 0 H ILE A 11 -14.978 21.035 -4.165 1.00 24.41 H new ATOM 0 HA ILE A 11 -17.176 21.374 -6.050 1.00 34.12 H new ATOM 0 HB ILE A 11 -17.515 21.184 -3.029 1.00 43.31 H new ATOM 0 HG12 ILE A 11 -18.946 19.752 -5.293 1.00 1.10 H new ATOM 0 HG13 ILE A 11 -17.601 19.075 -4.395 1.00 1.10 H new ATOM 0 HG21 ILE A 11 -19.841 21.905 -3.397 1.00 31.43 H new ATOM 0 HG22 ILE A 11 -18.680 23.172 -3.860 1.00 31.43 H new ATOM 0 HG23 ILE A 11 -19.477 22.193 -5.115 1.00 31.43 H new ATOM 0 HD11 ILE A 11 -19.736 18.239 -3.540 1.00 73.24 H new ATOM 0 HD12 ILE A 11 -18.908 19.217 -2.305 1.00 73.24 H new ATOM 0 HD13 ILE A 11 -20.273 19.905 -3.216 1.00 73.24 H new ATOM 168 N LEU A 12 -16.745 23.809 -5.889 1.00 1.33 N ATOM 169 CA LEU A 12 -16.460 25.239 -5.850 1.00 50.13 C ATOM 170 C LEU A 12 -17.724 26.037 -5.542 1.00 3.11 C ATOM 171 O LEU A 12 -18.803 25.731 -6.050 1.00 3.11 O ATOM 172 CB LEU A 12 -15.866 25.697 -7.183 1.00 4.32 C ATOM 173 CG LEU A 12 -14.344 25.615 -7.302 1.00 52.04 C ATOM 174 CD1 LEU A 12 -13.678 26.469 -6.235 1.00 3.30 C ATOM 175 CD2 LEU A 12 -13.878 24.170 -7.200 1.00 30.21 C ATOM 0 H LEU A 12 -17.169 23.487 -6.759 1.00 1.33 H new ATOM 0 HA LEU A 12 -15.736 25.419 -5.056 1.00 50.13 H new ATOM 0 HB2 LEU A 12 -16.306 25.097 -7.979 1.00 4.32 H new ATOM 0 HB3 LEU A 12 -16.169 26.729 -7.358 1.00 4.32 H new ATOM 0 HG LEU A 12 -14.054 26.001 -8.279 1.00 52.04 H new ATOM 0 HD11 LEU A 12 -12.595 26.398 -6.336 1.00 3.30 H new ATOM 0 HD12 LEU A 12 -13.986 27.508 -6.355 1.00 3.30 H new ATOM 0 HD13 LEU A 12 -13.975 26.115 -5.248 1.00 3.30 H new ATOM 0 HD21 LEU A 12 -12.792 24.131 -7.287 1.00 30.21 H new ATOM 0 HD22 LEU A 12 -14.180 23.757 -6.237 1.00 30.21 H new ATOM 0 HD23 LEU A 12 -14.327 23.585 -8.003 1.00 30.21 H new ATOM 187 N VAL A 13 -17.581 27.062 -4.708 1.00 43.34 N ATOM 188 CA VAL A 13 -18.710 27.907 -4.335 1.00 41.24 C ATOM 189 C VAL A 13 -18.308 29.378 -4.298 1.00 24.50 C ATOM 190 O VAL A 13 -17.185 29.734 -4.654 1.00 64.23 O ATOM 191 CB VAL A 13 -19.280 27.507 -2.962 1.00 63.25 C ATOM 192 CG1 VAL A 13 -19.748 26.059 -2.979 1.00 50.51 C ATOM 193 CG2 VAL A 13 -18.245 27.728 -1.871 1.00 4.50 C ATOM 0 H VAL A 13 -16.695 27.327 -4.278 1.00 43.34 H new ATOM 0 HA VAL A 13 -19.478 27.763 -5.095 1.00 41.24 H new ATOM 0 HB VAL A 13 -20.141 28.140 -2.747 1.00 63.25 H new ATOM 0 HG11 VAL A 13 -20.148 25.794 -2.000 1.00 50.51 H new ATOM 0 HG12 VAL A 13 -20.525 25.937 -3.733 1.00 50.51 H new ATOM 0 HG13 VAL A 13 -18.907 25.407 -3.216 1.00 50.51 H new ATOM 0 HG21 VAL A 13 -18.665 27.440 -0.907 1.00 4.50 H new ATOM 0 HG22 VAL A 13 -17.363 27.122 -2.078 1.00 4.50 H new ATOM 0 HG23 VAL A 13 -17.964 28.781 -1.844 1.00 4.50 H new ATOM 203 N SER A 14 -19.232 30.227 -3.863 1.00 10.43 N ATOM 204 CA SER A 14 -18.975 31.660 -3.781 1.00 61.13 C ATOM 205 C SER A 14 -19.032 32.141 -2.334 1.00 12.23 C ATOM 206 O SER A 14 -18.572 33.236 -2.012 1.00 42.53 O ATOM 207 CB SER A 14 -19.990 32.430 -4.627 1.00 14.51 C ATOM 208 OG SER A 14 -19.574 32.507 -5.979 1.00 41.42 O ATOM 0 H SER A 14 -20.166 29.948 -3.562 1.00 10.43 H new ATOM 0 HA SER A 14 -17.973 31.847 -4.168 1.00 61.13 H new ATOM 0 HB2 SER A 14 -20.962 31.940 -4.570 1.00 14.51 H new ATOM 0 HB3 SER A 14 -20.116 33.435 -4.224 1.00 14.51 H new ATOM 0 HG SER A 14 -20.241 33.003 -6.499 1.00 41.42 H new ATOM 214 N LYS A 15 -19.601 31.313 -1.465 1.00 22.04 N ATOM 215 CA LYS A 15 -19.719 31.650 -0.051 1.00 61.42 C ATOM 216 C LYS A 15 -19.255 30.490 0.825 1.00 12.32 C ATOM 217 O LYS A 15 -19.362 29.327 0.438 1.00 12.33 O ATOM 218 CB LYS A 15 -21.166 32.013 0.290 1.00 51.25 C ATOM 219 CG LYS A 15 -22.154 30.893 0.014 1.00 14.32 C ATOM 220 CD LYS A 15 -23.543 31.435 -0.278 1.00 73.22 C ATOM 221 CE LYS A 15 -24.223 31.941 0.986 1.00 24.43 C ATOM 222 NZ LYS A 15 -25.016 30.872 1.655 1.00 45.32 N ATOM 0 H LYS A 15 -19.988 30.403 -1.715 1.00 22.04 H new ATOM 0 HA LYS A 15 -19.079 32.510 0.146 1.00 61.42 H new ATOM 0 HB2 LYS A 15 -21.225 32.287 1.343 1.00 51.25 H new ATOM 0 HB3 LYS A 15 -21.456 32.893 -0.285 1.00 51.25 H new ATOM 0 HG2 LYS A 15 -21.808 30.301 -0.833 1.00 14.32 H new ATOM 0 HG3 LYS A 15 -22.197 30.224 0.873 1.00 14.32 H new ATOM 0 HD2 LYS A 15 -23.473 32.245 -1.004 1.00 73.22 H new ATOM 0 HD3 LYS A 15 -24.152 30.653 -0.731 1.00 73.22 H new ATOM 0 HE2 LYS A 15 -23.470 32.321 1.677 1.00 24.43 H new ATOM 0 HE3 LYS A 15 -24.877 32.777 0.737 1.00 24.43 H new ATOM 0 HZ1 LYS A 15 -25.193 31.139 2.645 1.00 45.32 H new ATOM 0 HZ2 LYS A 15 -25.923 30.752 1.161 1.00 45.32 H new ATOM 0 HZ3 LYS A 15 -24.486 29.978 1.627 1.00 45.32 H new ATOM 236 N GLN A 16 -18.741 30.816 2.007 1.00 34.11 N ATOM 237 CA GLN A 16 -18.264 29.801 2.938 1.00 62.41 C ATOM 238 C GLN A 16 -19.414 28.931 3.433 1.00 21.32 C ATOM 239 O GLN A 16 -19.228 27.753 3.738 1.00 62.33 O ATOM 240 CB GLN A 16 -17.558 30.459 4.125 1.00 12.12 C ATOM 241 CG GLN A 16 -16.086 30.743 3.878 1.00 41.14 C ATOM 242 CD GLN A 16 -15.253 30.657 5.142 1.00 72.05 C ATOM 243 OE1 GLN A 16 -14.917 29.566 5.604 1.00 51.45 O ATOM 244 NE2 GLN A 16 -14.916 31.809 5.709 1.00 73.31 N ATOM 0 H GLN A 16 -18.645 31.775 2.342 1.00 34.11 H new ATOM 0 HA GLN A 16 -17.554 29.165 2.409 1.00 62.41 H new ATOM 0 HB2 GLN A 16 -18.064 31.394 4.365 1.00 12.12 H new ATOM 0 HB3 GLN A 16 -17.653 29.812 4.997 1.00 12.12 H new ATOM 0 HG2 GLN A 16 -15.701 30.034 3.145 1.00 41.14 H new ATOM 0 HG3 GLN A 16 -15.980 31.738 3.445 1.00 41.14 H new ATOM 0 HE21 GLN A 16 -15.216 32.690 5.292 1.00 73.31 H new ATOM 0 HE22 GLN A 16 -14.357 31.813 6.562 1.00 73.31 H new ATOM 253 N SER A 17 -20.603 29.520 3.513 1.00 70.24 N ATOM 254 CA SER A 17 -21.783 28.799 3.974 1.00 13.22 C ATOM 255 C SER A 17 -22.116 27.642 3.036 1.00 11.43 C ATOM 256 O SER A 17 -22.824 26.710 3.412 1.00 34.14 O ATOM 257 CB SER A 17 -22.979 29.748 4.077 1.00 53.42 C ATOM 258 OG SER A 17 -24.185 29.030 4.268 1.00 33.34 O ATOM 0 H SER A 17 -20.774 30.494 3.265 1.00 70.24 H new ATOM 0 HA SER A 17 -21.566 28.391 4.961 1.00 13.22 H new ATOM 0 HB2 SER A 17 -22.828 30.439 4.906 1.00 53.42 H new ATOM 0 HB3 SER A 17 -23.050 30.349 3.170 1.00 53.42 H new ATOM 0 HG SER A 17 -24.934 29.659 4.332 1.00 33.34 H new ATOM 264 N GLU A 18 -21.600 27.713 1.814 1.00 50.44 N ATOM 265 CA GLU A 18 -21.843 26.673 0.822 1.00 42.53 C ATOM 266 C GLU A 18 -20.721 25.639 0.831 1.00 64.31 C ATOM 267 O GLU A 18 -20.971 24.435 0.793 1.00 34.02 O ATOM 268 CB GLU A 18 -21.972 27.288 -0.573 1.00 50.53 C ATOM 269 CG GLU A 18 -23.299 27.989 -0.809 1.00 41.42 C ATOM 270 CD GLU A 18 -24.434 27.018 -1.068 1.00 1.12 C ATOM 271 OE1 GLU A 18 -24.753 26.222 -0.160 1.00 21.34 O ATOM 272 OE2 GLU A 18 -25.004 27.054 -2.179 1.00 4.14 O ATOM 0 H GLU A 18 -21.011 28.479 1.487 1.00 50.44 H new ATOM 0 HA GLU A 18 -22.777 26.173 1.079 1.00 42.53 H new ATOM 0 HB2 GLU A 18 -21.162 28.002 -0.722 1.00 50.53 H new ATOM 0 HB3 GLU A 18 -21.847 26.504 -1.320 1.00 50.53 H new ATOM 0 HG2 GLU A 18 -23.541 28.602 0.059 1.00 41.42 H new ATOM 0 HG3 GLU A 18 -23.203 28.664 -1.659 1.00 41.42 H new ATOM 279 N ALA A 19 -19.482 26.119 0.883 1.00 61.41 N ATOM 280 CA ALA A 19 -18.321 25.237 0.899 1.00 51.42 C ATOM 281 C ALA A 19 -18.243 24.458 2.207 1.00 4.21 C ATOM 282 O ALA A 19 -17.962 23.258 2.212 1.00 51.45 O ATOM 283 CB ALA A 19 -17.047 26.039 0.682 1.00 10.10 C ATOM 0 H ALA A 19 -19.257 27.113 0.915 1.00 61.41 H new ATOM 0 HA ALA A 19 -18.428 24.520 0.085 1.00 51.42 H new ATOM 0 HB1 ALA A 19 -16.188 25.368 0.696 1.00 10.10 H new ATOM 0 HB2 ALA A 19 -17.096 26.546 -0.282 1.00 10.10 H new ATOM 0 HB3 ALA A 19 -16.943 26.779 1.476 1.00 10.10 H new ATOM 289 N LEU A 20 -18.490 25.146 3.316 1.00 71.02 N ATOM 290 CA LEU A 20 -18.446 24.518 4.633 1.00 41.25 C ATOM 291 C LEU A 20 -19.714 23.711 4.893 1.00 24.31 C ATOM 292 O LEU A 20 -19.822 23.014 5.902 1.00 42.21 O ATOM 293 CB LEU A 20 -18.272 25.580 5.720 1.00 62.15 C ATOM 294 CG LEU A 20 -17.525 25.136 6.978 1.00 22.10 C ATOM 295 CD1 LEU A 20 -16.737 26.295 7.569 1.00 72.23 C ATOM 296 CD2 LEU A 20 -18.497 24.571 8.004 1.00 25.04 C ATOM 0 H LEU A 20 -18.723 26.139 3.330 1.00 71.02 H new ATOM 0 HA LEU A 20 -17.594 23.839 4.657 1.00 41.25 H new ATOM 0 HB2 LEU A 20 -17.743 26.430 5.288 1.00 62.15 H new ATOM 0 HB3 LEU A 20 -19.260 25.935 6.014 1.00 62.15 H new ATOM 0 HG LEU A 20 -16.822 24.350 6.701 1.00 22.10 H new ATOM 0 HD11 LEU A 20 -16.212 25.960 8.464 1.00 72.23 H new ATOM 0 HD12 LEU A 20 -16.014 26.654 6.837 1.00 72.23 H new ATOM 0 HD13 LEU A 20 -17.420 27.103 7.831 1.00 72.23 H new ATOM 0 HD21 LEU A 20 -17.948 24.260 8.893 1.00 25.04 H new ATOM 0 HD22 LEU A 20 -19.224 25.336 8.276 1.00 25.04 H new ATOM 0 HD23 LEU A 20 -19.016 23.712 7.579 1.00 25.04 H new ATOM 308 N ALA A 21 -20.670 23.807 3.975 1.00 61.04 N ATOM 309 CA ALA A 21 -21.928 23.083 4.103 1.00 54.12 C ATOM 310 C ALA A 21 -21.774 21.632 3.660 1.00 62.03 C ATOM 311 O ALA A 21 -22.559 20.768 4.050 1.00 63.44 O ATOM 312 CB ALA A 21 -23.019 23.771 3.295 1.00 64.15 C ATOM 0 H ALA A 21 -20.597 24.380 3.134 1.00 61.04 H new ATOM 0 HA ALA A 21 -22.214 23.086 5.155 1.00 54.12 H new ATOM 0 HB1 ALA A 21 -23.953 23.219 3.400 1.00 64.15 H new ATOM 0 HB2 ALA A 21 -23.156 24.789 3.661 1.00 64.15 H new ATOM 0 HB3 ALA A 21 -22.731 23.799 2.244 1.00 64.15 H new ATOM 318 N ILE A 22 -20.758 21.372 2.843 1.00 3.41 N ATOM 319 CA ILE A 22 -20.501 20.026 2.348 1.00 51.31 C ATOM 320 C ILE A 22 -19.879 19.151 3.431 1.00 40.15 C ATOM 321 O ILE A 22 -19.942 17.924 3.363 1.00 32.44 O ATOM 322 CB ILE A 22 -19.570 20.046 1.121 1.00 11.14 C ATOM 323 CG1 ILE A 22 -20.214 20.831 -0.023 1.00 2.50 C ATOM 324 CG2 ILE A 22 -19.247 18.626 0.679 1.00 22.01 C ATOM 325 CD1 ILE A 22 -19.519 22.142 -0.321 1.00 64.35 C ATOM 0 H ILE A 22 -20.100 22.077 2.510 1.00 3.41 H new ATOM 0 HA ILE A 22 -21.464 19.608 2.056 1.00 51.31 H new ATOM 0 HB ILE A 22 -18.639 20.541 1.398 1.00 11.14 H new ATOM 0 HG12 ILE A 22 -20.212 20.215 -0.922 1.00 2.50 H new ATOM 0 HG13 ILE A 22 -21.257 21.030 0.225 1.00 2.50 H new ATOM 0 HG21 ILE A 22 -18.588 18.656 -0.189 1.00 22.01 H new ATOM 0 HG22 ILE A 22 -18.752 18.096 1.492 1.00 22.01 H new ATOM 0 HG23 ILE A 22 -20.169 18.108 0.417 1.00 22.01 H new ATOM 0 HD11 ILE A 22 -20.029 22.645 -1.143 1.00 64.35 H new ATOM 0 HD12 ILE A 22 -19.544 22.777 0.565 1.00 64.35 H new ATOM 0 HD13 ILE A 22 -18.483 21.949 -0.600 1.00 64.35 H new ATOM 337 N MET A 23 -19.280 19.791 4.429 1.00 22.04 N ATOM 338 CA MET A 23 -18.648 19.070 5.528 1.00 2.54 C ATOM 339 C MET A 23 -19.598 18.948 6.716 1.00 53.33 C ATOM 340 O MET A 23 -19.337 18.200 7.657 1.00 51.51 O ATOM 341 CB MET A 23 -17.363 19.780 5.961 1.00 1.41 C ATOM 342 CG MET A 23 -17.596 21.180 6.507 1.00 52.32 C ATOM 343 SD MET A 23 -16.310 21.699 7.659 1.00 50.21 S ATOM 344 CE MET A 23 -14.921 21.904 6.546 1.00 30.40 C ATOM 0 H MET A 23 -19.219 20.807 4.500 1.00 22.04 H new ATOM 0 HA MET A 23 -18.401 18.068 5.177 1.00 2.54 H new ATOM 0 HB2 MET A 23 -16.865 19.180 6.723 1.00 1.41 H new ATOM 0 HB3 MET A 23 -16.686 19.839 5.109 1.00 1.41 H new ATOM 0 HG2 MET A 23 -17.642 21.886 5.678 1.00 52.32 H new ATOM 0 HG3 MET A 23 -18.563 21.214 7.009 1.00 52.32 H new ATOM 0 HE1 MET A 23 -14.046 22.224 7.111 1.00 30.40 H new ATOM 0 HE2 MET A 23 -14.707 20.956 6.052 1.00 30.40 H new ATOM 0 HE3 MET A 23 -15.164 22.657 5.796 1.00 30.40 H new ATOM 354 N GLU A 24 -20.702 19.688 6.663 1.00 71.11 N ATOM 355 CA GLU A 24 -21.690 19.662 7.735 1.00 12.30 C ATOM 356 C GLU A 24 -22.947 18.916 7.298 1.00 75.21 C ATOM 357 O GLU A 24 -23.629 18.293 8.113 1.00 60.12 O ATOM 358 CB GLU A 24 -22.052 21.087 8.160 1.00 41.22 C ATOM 359 CG GLU A 24 -23.032 21.772 7.223 1.00 65.42 C ATOM 360 CD GLU A 24 -24.477 21.481 7.576 1.00 11.10 C ATOM 361 OE1 GLU A 24 -24.712 20.741 8.553 1.00 74.21 O ATOM 362 OE2 GLU A 24 -25.373 21.995 6.874 1.00 13.33 O ATOM 0 H GLU A 24 -20.934 20.312 5.890 1.00 71.11 H new ATOM 0 HA GLU A 24 -21.253 19.137 8.584 1.00 12.30 H new ATOM 0 HB2 GLU A 24 -22.479 21.061 9.162 1.00 41.22 H new ATOM 0 HB3 GLU A 24 -21.141 21.682 8.217 1.00 41.22 H new ATOM 0 HG2 GLU A 24 -22.865 22.849 7.252 1.00 65.42 H new ATOM 0 HG3 GLU A 24 -22.839 21.447 6.201 1.00 65.42 H new ATOM 369 N LYS A 25 -23.250 18.984 6.006 1.00 43.15 N ATOM 370 CA LYS A 25 -24.424 18.316 5.458 1.00 23.30 C ATOM 371 C LYS A 25 -24.189 16.813 5.340 1.00 74.45 C ATOM 372 O LYS A 25 -25.110 16.014 5.518 1.00 40.55 O ATOM 373 CB LYS A 25 -24.774 18.896 4.086 1.00 42.52 C ATOM 374 CG LYS A 25 -25.411 20.273 4.154 1.00 51.24 C ATOM 375 CD LYS A 25 -26.863 20.194 4.595 1.00 42.21 C ATOM 376 CE LYS A 25 -27.784 19.867 3.429 1.00 64.22 C ATOM 377 NZ LYS A 25 -29.088 19.316 3.890 1.00 33.23 N ATOM 0 H LYS A 25 -22.698 19.496 5.318 1.00 43.15 H new ATOM 0 HA LYS A 25 -25.257 18.484 6.140 1.00 23.30 H new ATOM 0 HB2 LYS A 25 -23.868 18.953 3.483 1.00 42.52 H new ATOM 0 HB3 LYS A 25 -25.454 18.215 3.575 1.00 42.52 H new ATOM 0 HG2 LYS A 25 -24.852 20.900 4.849 1.00 51.24 H new ATOM 0 HG3 LYS A 25 -25.352 20.751 3.176 1.00 51.24 H new ATOM 0 HD2 LYS A 25 -26.969 19.433 5.368 1.00 42.21 H new ATOM 0 HD3 LYS A 25 -27.161 21.143 5.040 1.00 42.21 H new ATOM 0 HE2 LYS A 25 -27.958 20.768 2.840 1.00 64.22 H new ATOM 0 HE3 LYS A 25 -27.297 19.146 2.772 1.00 64.22 H new ATOM 0 HZ1 LYS A 25 -29.687 19.106 3.066 1.00 33.23 H new ATOM 0 HZ2 LYS A 25 -28.924 18.443 4.431 1.00 33.23 H new ATOM 0 HZ3 LYS A 25 -29.565 20.014 4.496 1.00 33.23 H new ATOM 465 N LYS A 31 -24.801 12.582 0.672 1.00 75.01 N ATOM 466 CA LYS A 31 -24.363 12.382 -0.704 1.00 44.35 C ATOM 467 C LYS A 31 -23.560 13.581 -1.199 1.00 21.01 C ATOM 468 O LYS A 31 -24.126 14.603 -1.587 1.00 41.44 O ATOM 469 CB LYS A 31 -25.569 12.151 -1.618 1.00 24.14 C ATOM 470 CG LYS A 31 -25.471 10.882 -2.445 1.00 60.41 C ATOM 471 CD LYS A 31 -26.840 10.401 -2.894 1.00 15.14 C ATOM 472 CE LYS A 31 -27.488 11.382 -3.858 1.00 1.54 C ATOM 473 NZ LYS A 31 -28.361 10.693 -4.849 1.00 2.43 N ATOM 0 HA LYS A 31 -23.722 11.501 -0.729 1.00 44.35 H new ATOM 0 HB2 LYS A 31 -26.473 12.109 -1.010 1.00 24.14 H new ATOM 0 HB3 LYS A 31 -25.675 13.004 -2.288 1.00 24.14 H new ATOM 0 HG2 LYS A 31 -24.844 11.063 -3.318 1.00 60.41 H new ATOM 0 HG3 LYS A 31 -24.984 10.102 -1.859 1.00 60.41 H new ATOM 0 HD2 LYS A 31 -26.745 9.427 -3.374 1.00 15.14 H new ATOM 0 HD3 LYS A 31 -27.483 10.266 -2.024 1.00 15.14 H new ATOM 0 HE2 LYS A 31 -28.078 12.107 -3.297 1.00 1.54 H new ATOM 0 HE3 LYS A 31 -26.713 11.940 -4.383 1.00 1.54 H new ATOM 0 HZ1 LYS A 31 -28.784 11.397 -5.488 1.00 2.43 H new ATOM 0 HZ2 LYS A 31 -27.794 10.020 -5.403 1.00 2.43 H new ATOM 0 HZ3 LYS A 31 -29.116 10.181 -4.350 1.00 2.43 H new ATOM 487 N PHE A 32 -22.237 13.449 -1.184 1.00 13.21 N ATOM 488 CA PHE A 32 -21.356 14.522 -1.631 1.00 72.01 C ATOM 489 C PHE A 32 -21.779 15.035 -3.004 1.00 14.40 C ATOM 490 O PHE A 32 -21.801 16.241 -3.248 1.00 52.32 O ATOM 491 CB PHE A 32 -19.907 14.033 -1.681 1.00 72.45 C ATOM 492 CG PHE A 32 -18.928 15.100 -2.077 1.00 43.34 C ATOM 493 CD1 PHE A 32 -18.772 15.456 -3.408 1.00 31.12 C ATOM 494 CD2 PHE A 32 -18.163 15.747 -1.120 1.00 54.35 C ATOM 495 CE1 PHE A 32 -17.872 16.438 -3.776 1.00 3.43 C ATOM 496 CE2 PHE A 32 -17.262 16.731 -1.482 1.00 61.13 C ATOM 497 CZ PHE A 32 -17.115 17.076 -2.812 1.00 21.10 C ATOM 0 H PHE A 32 -21.752 12.610 -0.867 1.00 13.21 H new ATOM 0 HA PHE A 32 -21.431 15.342 -0.917 1.00 72.01 H new ATOM 0 HB2 PHE A 32 -19.630 13.642 -0.702 1.00 72.45 H new ATOM 0 HB3 PHE A 32 -19.835 13.205 -2.387 1.00 72.45 H new ATOM 0 HD1 PHE A 32 -19.361 14.960 -4.166 1.00 31.12 H new ATOM 0 HD2 PHE A 32 -18.272 15.480 -0.079 1.00 54.35 H new ATOM 0 HE1 PHE A 32 -17.760 16.707 -4.816 1.00 3.43 H new ATOM 0 HE2 PHE A 32 -16.674 17.230 -0.726 1.00 61.13 H new ATOM 0 HZ PHE A 32 -16.410 17.843 -3.097 1.00 21.10 H new ATOM 507 N GLY A 33 -22.116 14.110 -3.898 1.00 23.00 N ATOM 508 CA GLY A 33 -22.532 14.488 -5.236 1.00 54.53 C ATOM 509 C GLY A 33 -23.789 15.336 -5.233 1.00 52.14 C ATOM 510 O GLY A 33 -23.955 16.216 -6.078 1.00 73.05 O ATOM 0 H GLY A 33 -22.108 13.106 -3.719 1.00 23.00 H new ATOM 0 HA2 GLY A 33 -21.727 15.039 -5.722 1.00 54.53 H new ATOM 0 HA3 GLY A 33 -22.705 13.589 -5.827 1.00 54.53 H new ATOM 514 N LYS A 34 -24.678 15.072 -4.281 1.00 71.25 N ATOM 515 CA LYS A 34 -25.926 15.816 -4.172 1.00 12.10 C ATOM 516 C LYS A 34 -25.658 17.303 -3.963 1.00 23.10 C ATOM 517 O LYS A 34 -26.511 18.144 -4.245 1.00 62.04 O ATOM 518 CB LYS A 34 -26.769 15.272 -3.015 1.00 62.12 C ATOM 519 CG LYS A 34 -28.109 15.967 -2.860 1.00 55.14 C ATOM 520 CD LYS A 34 -28.945 15.856 -4.124 1.00 51.45 C ATOM 521 CE LYS A 34 -30.261 16.609 -3.991 1.00 21.31 C ATOM 522 NZ LYS A 34 -30.049 18.077 -3.855 1.00 73.33 N ATOM 0 H LYS A 34 -24.556 14.347 -3.574 1.00 71.25 H new ATOM 0 HA LYS A 34 -26.476 15.692 -5.105 1.00 12.10 H new ATOM 0 HB2 LYS A 34 -26.938 14.206 -3.169 1.00 62.12 H new ATOM 0 HB3 LYS A 34 -26.206 15.375 -2.087 1.00 62.12 H new ATOM 0 HG2 LYS A 34 -28.653 15.528 -2.023 1.00 55.14 H new ATOM 0 HG3 LYS A 34 -27.949 17.018 -2.620 1.00 55.14 H new ATOM 0 HD2 LYS A 34 -28.382 16.252 -4.969 1.00 51.45 H new ATOM 0 HD3 LYS A 34 -29.145 14.806 -4.338 1.00 51.45 H new ATOM 0 HE2 LYS A 34 -30.882 16.411 -4.864 1.00 21.31 H new ATOM 0 HE3 LYS A 34 -30.805 16.239 -3.122 1.00 21.31 H new ATOM 0 HZ1 LYS A 34 -30.954 18.572 -3.988 1.00 73.33 H new ATOM 0 HZ2 LYS A 34 -29.675 18.287 -2.908 1.00 73.33 H new ATOM 0 HZ3 LYS A 34 -29.370 18.398 -4.575 1.00 73.33 H new ATOM 536 N LEU A 35 -24.466 17.620 -3.469 1.00 62.24 N ATOM 537 CA LEU A 35 -24.083 19.006 -3.224 1.00 15.21 C ATOM 538 C LEU A 35 -23.140 19.511 -4.312 1.00 35.03 C ATOM 539 O LEU A 35 -23.039 20.714 -4.550 1.00 2.33 O ATOM 540 CB LEU A 35 -23.416 19.137 -1.854 1.00 23.31 C ATOM 541 CG LEU A 35 -24.004 18.275 -0.736 1.00 3.41 C ATOM 542 CD1 LEU A 35 -23.348 18.608 0.595 1.00 40.31 C ATOM 543 CD2 LEU A 35 -25.512 18.467 -0.652 1.00 63.15 C ATOM 0 H LEU A 35 -23.748 16.936 -3.230 1.00 62.24 H new ATOM 0 HA LEU A 35 -24.987 19.615 -3.241 1.00 15.21 H new ATOM 0 HB2 LEU A 35 -22.360 18.888 -1.961 1.00 23.31 H new ATOM 0 HB3 LEU A 35 -23.467 20.181 -1.546 1.00 23.31 H new ATOM 0 HG LEU A 35 -23.803 17.229 -0.966 1.00 3.41 H new ATOM 0 HD11 LEU A 35 -23.779 17.985 1.379 1.00 40.31 H new ATOM 0 HD12 LEU A 35 -22.276 18.420 0.530 1.00 40.31 H new ATOM 0 HD13 LEU A 35 -23.518 19.658 0.832 1.00 40.31 H new ATOM 0 HD21 LEU A 35 -25.914 17.846 0.149 1.00 63.15 H new ATOM 0 HD22 LEU A 35 -25.735 19.514 -0.446 1.00 63.15 H new ATOM 0 HD23 LEU A 35 -25.969 18.179 -1.599 1.00 63.15 H new ATOM 555 N ALA A 36 -22.454 18.583 -4.971 1.00 33.41 N ATOM 556 CA ALA A 36 -21.524 18.933 -6.036 1.00 43.22 C ATOM 557 C ALA A 36 -22.263 19.232 -7.336 1.00 31.33 C ATOM 558 O ALA A 36 -21.735 19.899 -8.225 1.00 12.51 O ATOM 559 CB ALA A 36 -20.515 17.813 -6.246 1.00 73.03 C ATOM 0 H ALA A 36 -22.525 17.583 -4.785 1.00 33.41 H new ATOM 0 HA ALA A 36 -20.992 19.836 -5.736 1.00 43.22 H new ATOM 0 HB1 ALA A 36 -19.827 18.089 -7.045 1.00 73.03 H new ATOM 0 HB2 ALA A 36 -19.955 17.650 -5.325 1.00 73.03 H new ATOM 0 HB3 ALA A 36 -21.039 16.897 -6.519 1.00 73.03 H new ATOM 565 N LYS A 37 -23.490 18.731 -7.441 1.00 14.43 N ATOM 566 CA LYS A 37 -24.304 18.945 -8.631 1.00 72.24 C ATOM 567 C LYS A 37 -25.039 20.279 -8.557 1.00 42.11 C ATOM 568 O LYS A 37 -25.813 20.622 -9.450 1.00 42.42 O ATOM 569 CB LYS A 37 -25.312 17.804 -8.797 1.00 3.34 C ATOM 570 CG LYS A 37 -25.973 17.769 -10.163 1.00 14.32 C ATOM 571 CD LYS A 37 -27.428 18.203 -10.090 1.00 4.53 C ATOM 572 CE LYS A 37 -28.334 17.048 -9.694 1.00 71.02 C ATOM 573 NZ LYS A 37 -28.846 16.313 -10.885 1.00 31.04 N ATOM 0 H LYS A 37 -23.942 18.174 -6.716 1.00 14.43 H new ATOM 0 HA LYS A 37 -23.640 18.964 -9.495 1.00 72.24 H new ATOM 0 HB2 LYS A 37 -24.805 16.855 -8.624 1.00 3.34 H new ATOM 0 HB3 LYS A 37 -26.083 17.898 -8.032 1.00 3.34 H new ATOM 0 HG2 LYS A 37 -25.431 18.422 -10.847 1.00 14.32 H new ATOM 0 HG3 LYS A 37 -25.913 16.760 -10.571 1.00 14.32 H new ATOM 0 HD2 LYS A 37 -27.532 19.013 -9.367 1.00 4.53 H new ATOM 0 HD3 LYS A 37 -27.740 18.597 -11.057 1.00 4.53 H new ATOM 0 HE2 LYS A 37 -27.786 16.360 -9.050 1.00 71.02 H new ATOM 0 HE3 LYS A 37 -29.174 17.428 -9.112 1.00 71.02 H new ATOM 0 HZ1 LYS A 37 -29.460 15.533 -10.574 1.00 31.04 H new ATOM 0 HZ2 LYS A 37 -29.391 16.963 -11.487 1.00 31.04 H new ATOM 0 HZ3 LYS A 37 -28.045 15.929 -11.426 1.00 31.04 H new ATOM 587 N GLU A 38 -24.790 21.028 -7.487 1.00 31.20 N ATOM 588 CA GLU A 38 -25.428 22.325 -7.298 1.00 65.22 C ATOM 589 C GLU A 38 -24.420 23.360 -6.805 1.00 53.35 C ATOM 590 O GLU A 38 -24.178 24.370 -7.468 1.00 12.33 O ATOM 591 CB GLU A 38 -26.585 22.209 -6.303 1.00 3.54 C ATOM 592 CG GLU A 38 -27.485 21.011 -6.553 1.00 40.51 C ATOM 593 CD GLU A 38 -28.929 21.279 -6.175 1.00 12.11 C ATOM 594 OE1 GLU A 38 -29.158 22.037 -5.209 1.00 52.44 O ATOM 595 OE2 GLU A 38 -29.830 20.730 -6.844 1.00 31.14 O ATOM 0 H GLU A 38 -24.151 20.759 -6.739 1.00 31.20 H new ATOM 0 HA GLU A 38 -25.819 22.653 -8.261 1.00 65.22 H new ATOM 0 HB2 GLU A 38 -26.180 22.144 -5.293 1.00 3.54 H new ATOM 0 HB3 GLU A 38 -27.184 23.118 -6.348 1.00 3.54 H new ATOM 0 HG2 GLU A 38 -27.434 20.736 -7.607 1.00 40.51 H new ATOM 0 HG3 GLU A 38 -27.116 20.158 -5.983 1.00 40.51 H new ATOM 602 N LEU A 39 -23.838 23.102 -5.640 1.00 45.13 N ATOM 603 CA LEU A 39 -22.857 24.011 -5.057 1.00 23.21 C ATOM 604 C LEU A 39 -21.716 24.279 -6.033 1.00 53.55 C ATOM 605 O LEU A 39 -21.355 25.430 -6.279 1.00 42.21 O ATOM 606 CB LEU A 39 -22.303 23.429 -3.756 1.00 11.42 C ATOM 607 CG LEU A 39 -23.338 23.060 -2.691 1.00 44.35 C ATOM 608 CD1 LEU A 39 -22.650 22.628 -1.406 1.00 10.22 C ATOM 609 CD2 LEU A 39 -24.274 24.230 -2.430 1.00 14.30 C ATOM 0 H LEU A 39 -24.028 22.271 -5.080 1.00 45.13 H new ATOM 0 HA LEU A 39 -23.357 24.956 -4.842 1.00 23.21 H new ATOM 0 HB2 LEU A 39 -21.726 22.537 -3.997 1.00 11.42 H new ATOM 0 HB3 LEU A 39 -21.609 24.151 -3.325 1.00 11.42 H new ATOM 0 HG LEU A 39 -23.930 22.223 -3.061 1.00 44.35 H new ATOM 0 HD11 LEU A 39 -23.402 22.369 -0.660 1.00 10.22 H new ATOM 0 HD12 LEU A 39 -22.021 21.760 -1.604 1.00 10.22 H new ATOM 0 HD13 LEU A 39 -22.033 23.445 -1.031 1.00 10.22 H new ATOM 0 HD21 LEU A 39 -25.003 23.950 -1.670 1.00 14.30 H new ATOM 0 HD22 LEU A 39 -23.697 25.087 -2.081 1.00 14.30 H new ATOM 0 HD23 LEU A 39 -24.793 24.493 -3.352 1.00 14.30 H new ATOM 621 N SER A 40 -21.155 23.210 -6.588 1.00 45.41 N ATOM 622 CA SER A 40 -20.054 23.331 -7.537 1.00 65.44 C ATOM 623 C SER A 40 -20.395 24.325 -8.642 1.00 54.15 C ATOM 624 O SER A 40 -21.237 24.052 -9.500 1.00 24.20 O ATOM 625 CB SER A 40 -19.727 21.966 -8.146 1.00 44.04 C ATOM 626 OG SER A 40 -18.361 21.887 -8.517 1.00 41.01 O ATOM 0 H SER A 40 -21.444 22.251 -6.397 1.00 45.41 H new ATOM 0 HA SER A 40 -19.181 23.700 -6.998 1.00 65.44 H new ATOM 0 HB2 SER A 40 -19.958 21.179 -7.428 1.00 44.04 H new ATOM 0 HB3 SER A 40 -20.355 21.794 -9.020 1.00 44.04 H new ATOM 0 HG SER A 40 -18.098 20.946 -8.597 1.00 41.01 H new ATOM 632 N ILE A 41 -19.737 25.479 -8.615 1.00 42.44 N ATOM 633 CA ILE A 41 -19.970 26.514 -9.616 1.00 23.43 C ATOM 634 C ILE A 41 -19.212 26.214 -10.904 1.00 71.12 C ATOM 635 O ILE A 41 -19.565 26.710 -11.973 1.00 62.34 O ATOM 636 CB ILE A 41 -19.549 27.902 -9.097 1.00 61.11 C ATOM 637 CG1 ILE A 41 -18.092 27.877 -8.633 1.00 44.33 C ATOM 638 CG2 ILE A 41 -20.464 28.344 -7.964 1.00 30.43 C ATOM 639 CD1 ILE A 41 -17.302 29.094 -9.058 1.00 5.40 C ATOM 0 H ILE A 41 -19.039 25.721 -7.912 1.00 42.44 H new ATOM 0 HA ILE A 41 -21.041 26.520 -9.821 1.00 23.43 H new ATOM 0 HB ILE A 41 -19.639 28.620 -9.912 1.00 61.11 H new ATOM 0 HG12 ILE A 41 -18.067 27.799 -7.546 1.00 44.33 H new ATOM 0 HG13 ILE A 41 -17.608 26.984 -9.028 1.00 44.33 H new ATOM 0 HG21 ILE A 41 -20.154 29.326 -7.608 1.00 30.43 H new ATOM 0 HG22 ILE A 41 -21.491 28.397 -8.325 1.00 30.43 H new ATOM 0 HG23 ILE A 41 -20.403 27.626 -7.146 1.00 30.43 H new ATOM 0 HD11 ILE A 41 -16.278 29.008 -8.694 1.00 5.40 H new ATOM 0 HD12 ILE A 41 -17.296 29.162 -10.146 1.00 5.40 H new ATOM 0 HD13 ILE A 41 -17.761 29.990 -8.641 1.00 5.40 H new ATOM 651 N ASP A 42 -18.170 25.398 -10.794 1.00 44.12 N ATOM 652 CA ASP A 42 -17.362 25.029 -11.951 1.00 74.32 C ATOM 653 C ASP A 42 -18.183 24.218 -12.950 1.00 31.21 C ATOM 654 O ASP A 42 -18.551 23.075 -12.682 1.00 52.21 O ATOM 655 CB ASP A 42 -16.137 24.227 -11.510 1.00 22.53 C ATOM 656 CG ASP A 42 -15.147 24.013 -12.638 1.00 43.43 C ATOM 657 OD1 ASP A 42 -15.392 23.127 -13.483 1.00 51.22 O ATOM 658 OD2 ASP A 42 -14.128 24.734 -12.677 1.00 11.20 O ATOM 0 H ASP A 42 -17.865 24.979 -9.916 1.00 44.12 H new ATOM 0 HA ASP A 42 -17.030 25.946 -12.439 1.00 74.32 H new ATOM 0 HB2 ASP A 42 -15.642 24.747 -10.690 1.00 22.53 H new ATOM 0 HB3 ASP A 42 -16.459 23.259 -11.125 1.00 22.53 H new ATOM 663 N SER A 43 -18.465 24.819 -14.101 1.00 11.10 N ATOM 664 CA SER A 43 -19.247 24.155 -15.138 1.00 42.35 C ATOM 665 C SER A 43 -18.674 22.775 -15.450 1.00 15.24 C ATOM 666 O SER A 43 -19.412 21.844 -15.770 1.00 43.03 O ATOM 667 CB SER A 43 -19.276 25.007 -16.409 1.00 24.20 C ATOM 668 OG SER A 43 -17.987 25.512 -16.713 1.00 70.34 O ATOM 0 H SER A 43 -18.164 25.764 -14.339 1.00 11.10 H new ATOM 0 HA SER A 43 -20.265 24.032 -14.768 1.00 42.35 H new ATOM 0 HB2 SER A 43 -19.642 24.409 -17.243 1.00 24.20 H new ATOM 0 HB3 SER A 43 -19.973 25.835 -16.280 1.00 24.20 H new ATOM 0 HG SER A 43 -18.031 26.051 -17.530 1.00 70.34 H new ATOM 674 N GLY A 44 -17.354 22.653 -15.353 1.00 1.14 N ATOM 675 CA GLY A 44 -16.704 21.386 -15.627 1.00 75.54 C ATOM 676 C GLY A 44 -16.525 20.543 -14.380 1.00 2.42 C ATOM 677 O GLY A 44 -15.451 19.987 -14.148 1.00 73.33 O ATOM 0 H GLY A 44 -16.723 23.410 -15.089 1.00 1.14 H new ATOM 0 HA2 GLY A 44 -17.293 20.830 -16.356 1.00 75.54 H new ATOM 0 HA3 GLY A 44 -15.730 21.572 -16.079 1.00 75.54 H new ATOM 681 N SER A 45 -17.576 20.453 -13.573 1.00 33.24 N ATOM 682 CA SER A 45 -17.528 19.678 -12.338 1.00 40.33 C ATOM 683 C SER A 45 -18.934 19.317 -11.868 1.00 1.31 C ATOM 684 O SER A 45 -19.197 18.181 -11.476 1.00 22.43 O ATOM 685 CB SER A 45 -16.799 20.463 -11.247 1.00 4.14 C ATOM 686 OG SER A 45 -15.702 21.184 -11.782 1.00 61.54 O ATOM 0 H SER A 45 -18.472 20.907 -13.751 1.00 33.24 H new ATOM 0 HA SER A 45 -16.983 18.756 -12.538 1.00 40.33 H new ATOM 0 HB2 SER A 45 -17.492 21.154 -10.767 1.00 4.14 H new ATOM 0 HB3 SER A 45 -16.446 19.778 -10.476 1.00 4.14 H new ATOM 0 HG SER A 45 -16.033 21.898 -12.366 1.00 61.54 H new ATOM 692 N ALA A 46 -19.834 20.294 -11.910 1.00 53.05 N ATOM 693 CA ALA A 46 -21.214 20.081 -11.491 1.00 21.32 C ATOM 694 C ALA A 46 -21.881 18.997 -12.331 1.00 33.53 C ATOM 695 O ALA A 46 -22.904 18.434 -11.939 1.00 21.14 O ATOM 696 CB ALA A 46 -22.000 21.380 -11.581 1.00 3.42 C ATOM 0 H ALA A 46 -19.632 21.241 -12.230 1.00 53.05 H new ATOM 0 HA ALA A 46 -21.205 19.747 -10.454 1.00 21.32 H new ATOM 0 HB1 ALA A 46 -23.029 21.206 -11.265 1.00 3.42 H new ATOM 0 HB2 ALA A 46 -21.543 22.127 -10.932 1.00 3.42 H new ATOM 0 HB3 ALA A 46 -21.993 21.739 -12.610 1.00 3.42 H new ATOM 702 N LYS A 47 -21.297 18.709 -13.489 1.00 74.22 N ATOM 703 CA LYS A 47 -21.835 17.692 -14.386 1.00 3.31 C ATOM 704 C LYS A 47 -21.393 16.298 -13.954 1.00 52.13 C ATOM 705 O LYS A 47 -22.038 15.302 -14.282 1.00 20.31 O ATOM 706 CB LYS A 47 -21.383 17.961 -15.823 1.00 61.51 C ATOM 707 CG LYS A 47 -22.256 17.291 -16.870 1.00 75.12 C ATOM 708 CD LYS A 47 -21.562 17.232 -18.220 1.00 12.30 C ATOM 709 CE LYS A 47 -21.565 18.588 -18.908 1.00 54.34 C ATOM 710 NZ LYS A 47 -20.440 19.447 -18.447 1.00 2.10 N ATOM 0 H LYS A 47 -20.451 19.166 -13.829 1.00 74.22 H new ATOM 0 HA LYS A 47 -22.923 17.739 -14.339 1.00 3.31 H new ATOM 0 HB2 LYS A 47 -21.380 19.037 -15.999 1.00 61.51 H new ATOM 0 HB3 LYS A 47 -20.356 17.615 -15.943 1.00 61.51 H new ATOM 0 HG2 LYS A 47 -22.506 16.281 -16.544 1.00 75.12 H new ATOM 0 HG3 LYS A 47 -23.195 17.837 -16.966 1.00 75.12 H new ATOM 0 HD2 LYS A 47 -20.535 16.892 -18.088 1.00 12.30 H new ATOM 0 HD3 LYS A 47 -22.061 16.500 -18.855 1.00 12.30 H new ATOM 0 HE2 LYS A 47 -21.496 18.448 -19.987 1.00 54.34 H new ATOM 0 HE3 LYS A 47 -22.511 19.093 -18.712 1.00 54.34 H new ATOM 0 HZ1 LYS A 47 -20.818 20.267 -17.932 1.00 2.10 H new ATOM 0 HZ2 LYS A 47 -19.820 18.899 -17.817 1.00 2.10 H new ATOM 0 HZ3 LYS A 47 -19.895 19.776 -19.269 1.00 2.10 H new ATOM 724 N LYS A 48 -20.290 16.234 -13.215 1.00 15.13 N ATOM 725 CA LYS A 48 -19.763 14.962 -12.735 1.00 33.40 C ATOM 726 C LYS A 48 -19.767 14.912 -11.211 1.00 63.51 C ATOM 727 O LYS A 48 -18.942 14.232 -10.601 1.00 32.40 O ATOM 728 CB LYS A 48 -18.343 14.746 -13.260 1.00 64.52 C ATOM 729 CG LYS A 48 -17.475 15.991 -13.201 1.00 55.03 C ATOM 730 CD LYS A 48 -17.570 16.798 -14.485 1.00 53.13 C ATOM 731 CE LYS A 48 -16.528 16.354 -15.500 1.00 14.42 C ATOM 732 NZ LYS A 48 -15.204 16.991 -15.251 1.00 75.44 N ATOM 0 H LYS A 48 -19.744 17.049 -12.936 1.00 15.13 H new ATOM 0 HA LYS A 48 -20.407 14.165 -13.108 1.00 33.40 H new ATOM 0 HB2 LYS A 48 -17.867 13.954 -12.681 1.00 64.52 H new ATOM 0 HB3 LYS A 48 -18.395 14.399 -14.292 1.00 64.52 H new ATOM 0 HG2 LYS A 48 -17.782 16.610 -12.358 1.00 55.03 H new ATOM 0 HG3 LYS A 48 -16.438 15.705 -13.026 1.00 55.03 H new ATOM 0 HD2 LYS A 48 -18.566 16.687 -14.913 1.00 53.13 H new ATOM 0 HD3 LYS A 48 -17.434 17.856 -14.262 1.00 53.13 H new ATOM 0 HE2 LYS A 48 -16.422 15.270 -15.461 1.00 14.42 H new ATOM 0 HE3 LYS A 48 -16.869 16.606 -16.504 1.00 14.42 H new ATOM 0 HZ1 LYS A 48 -14.655 17.008 -16.134 1.00 75.44 H new ATOM 0 HZ2 LYS A 48 -15.345 17.964 -14.912 1.00 75.44 H new ATOM 0 HZ3 LYS A 48 -14.686 16.446 -14.532 1.00 75.44 H new ATOM 746 N ASN A 49 -20.700 15.635 -10.601 1.00 53.35 N ATOM 747 CA ASN A 49 -20.811 15.672 -9.148 1.00 34.30 C ATOM 748 C ASN A 49 -19.462 15.983 -8.507 1.00 51.35 C ATOM 749 O ASN A 49 -19.168 15.527 -7.403 1.00 32.20 O ATOM 750 CB ASN A 49 -21.342 14.336 -8.622 1.00 15.50 C ATOM 751 CG ASN A 49 -22.754 14.049 -9.096 1.00 41.24 C ATOM 752 OD1 ASN A 49 -22.963 13.261 -10.019 1.00 3.12 O ATOM 753 ND2 ASN A 49 -23.732 14.688 -8.465 1.00 21.22 N ATOM 0 H ASN A 49 -21.391 16.204 -11.091 1.00 53.35 H new ATOM 0 HA ASN A 49 -21.511 16.464 -8.882 1.00 34.30 H new ATOM 0 HB2 ASN A 49 -20.682 13.532 -8.947 1.00 15.50 H new ATOM 0 HB3 ASN A 49 -21.322 14.344 -7.532 1.00 15.50 H new ATOM 0 HD21 ASN A 49 -24.702 14.534 -8.740 1.00 21.22 H new ATOM 0 HD22 ASN A 49 -23.513 15.332 -7.705 1.00 21.22 H new ATOM 760 N GLY A 50 -18.647 16.764 -9.208 1.00 3.32 N ATOM 761 CA GLY A 50 -17.339 17.125 -8.692 1.00 61.52 C ATOM 762 C GLY A 50 -16.503 15.911 -8.335 1.00 42.15 C ATOM 763 O GLY A 50 -15.590 15.998 -7.514 1.00 75.54 O ATOM 0 H GLY A 50 -18.869 17.154 -10.124 1.00 3.32 H new ATOM 0 HA2 GLY A 50 -16.810 17.721 -9.436 1.00 61.52 H new ATOM 0 HA3 GLY A 50 -17.460 17.752 -7.809 1.00 61.52 H new ATOM 767 N ASN A 51 -16.814 14.778 -8.955 1.00 21.51 N ATOM 768 CA ASN A 51 -16.085 13.540 -8.697 1.00 12.24 C ATOM 769 C ASN A 51 -14.999 13.321 -9.744 1.00 44.14 C ATOM 770 O ASN A 51 -15.186 12.567 -10.700 1.00 43.34 O ATOM 771 CB ASN A 51 -17.047 12.351 -8.686 1.00 22.13 C ATOM 772 CG ASN A 51 -16.542 11.207 -7.827 1.00 24.14 C ATOM 773 OD1 ASN A 51 -17.157 10.852 -6.822 1.00 2.24 O ATOM 774 ND2 ASN A 51 -15.415 10.624 -8.221 1.00 71.12 N ATOM 0 H ASN A 51 -17.565 14.690 -9.639 1.00 21.51 H new ATOM 0 HA ASN A 51 -15.610 13.623 -7.719 1.00 12.24 H new ATOM 0 HB2 ASN A 51 -18.019 12.677 -8.317 1.00 22.13 H new ATOM 0 HB3 ASN A 51 -17.195 11.998 -9.706 1.00 22.13 H new ATOM 0 HD21 ASN A 51 -15.027 9.849 -7.683 1.00 71.12 H new ATOM 0 HD22 ASN A 51 -14.938 10.951 -9.061 1.00 71.12 H new ATOM 781 N LEU A 52 -13.861 13.983 -9.558 1.00 55.15 N ATOM 782 CA LEU A 52 -12.744 13.860 -10.486 1.00 61.41 C ATOM 783 C LEU A 52 -12.154 12.454 -10.446 1.00 71.12 C ATOM 784 O LEU A 52 -11.366 12.074 -11.312 1.00 0.12 O ATOM 785 CB LEU A 52 -11.661 14.888 -10.152 1.00 12.41 C ATOM 786 CG LEU A 52 -11.160 14.889 -8.707 1.00 62.33 C ATOM 787 CD1 LEU A 52 -10.059 13.854 -8.525 1.00 15.23 C ATOM 788 CD2 LEU A 52 -10.665 16.273 -8.315 1.00 62.41 C ATOM 0 H LEU A 52 -13.689 14.610 -8.772 1.00 55.15 H new ATOM 0 HA LEU A 52 -13.119 14.049 -11.492 1.00 61.41 H new ATOM 0 HB2 LEU A 52 -10.810 14.716 -10.811 1.00 12.41 H new ATOM 0 HB3 LEU A 52 -12.047 15.881 -10.382 1.00 12.41 H new ATOM 0 HG LEU A 52 -11.991 14.625 -8.053 1.00 62.33 H new ATOM 0 HD11 LEU A 52 -9.714 13.868 -7.491 1.00 15.23 H new ATOM 0 HD12 LEU A 52 -10.447 12.864 -8.765 1.00 15.23 H new ATOM 0 HD13 LEU A 52 -9.227 14.088 -9.189 1.00 15.23 H new ATOM 0 HD21 LEU A 52 -10.312 16.255 -7.284 1.00 62.41 H new ATOM 0 HD22 LEU A 52 -9.847 16.567 -8.973 1.00 62.41 H new ATOM 0 HD23 LEU A 52 -11.480 16.991 -8.407 1.00 62.41 H new ATOM 800 N GLY A 53 -12.544 11.683 -9.435 1.00 32.51 N ATOM 801 CA GLY A 53 -12.046 10.326 -9.302 1.00 33.34 C ATOM 802 C GLY A 53 -10.604 10.280 -8.837 1.00 75.11 C ATOM 803 O GLY A 53 -10.252 10.889 -7.826 1.00 44.34 O ATOM 0 H GLY A 53 -13.196 11.974 -8.706 1.00 32.51 H new ATOM 0 HA2 GLY A 53 -12.670 9.781 -8.594 1.00 33.34 H new ATOM 0 HA3 GLY A 53 -12.132 9.815 -10.261 1.00 33.34 H new ATOM 807 N TYR A 54 -9.769 9.556 -9.573 1.00 34.30 N ATOM 808 CA TYR A 54 -8.358 9.429 -9.228 1.00 14.42 C ATOM 809 C TYR A 54 -7.541 10.553 -9.858 1.00 54.12 C ATOM 810 O TYR A 54 -7.703 10.868 -11.037 1.00 0.40 O ATOM 811 CB TYR A 54 -7.820 8.073 -9.685 1.00 64.15 C ATOM 812 CG TYR A 54 -7.795 7.031 -8.589 1.00 51.15 C ATOM 813 CD1 TYR A 54 -8.882 6.858 -7.743 1.00 13.21 C ATOM 814 CD2 TYR A 54 -6.683 6.218 -8.403 1.00 11.10 C ATOM 815 CE1 TYR A 54 -8.863 5.909 -6.740 1.00 75.55 C ATOM 816 CE2 TYR A 54 -6.656 5.264 -7.404 1.00 11.31 C ATOM 817 CZ TYR A 54 -7.748 5.114 -6.575 1.00 62.32 C ATOM 818 OH TYR A 54 -7.726 4.165 -5.579 1.00 4.33 O ATOM 0 H TYR A 54 -10.045 9.048 -10.413 1.00 34.30 H new ATOM 0 HA TYR A 54 -8.266 9.501 -8.144 1.00 14.42 H new ATOM 0 HB2 TYR A 54 -8.433 7.707 -10.509 1.00 64.15 H new ATOM 0 HB3 TYR A 54 -6.810 8.204 -10.073 1.00 64.15 H new ATOM 0 HD1 TYR A 54 -9.758 7.477 -7.872 1.00 13.21 H new ATOM 0 HD2 TYR A 54 -5.826 6.334 -9.050 1.00 11.10 H new ATOM 0 HE1 TYR A 54 -9.716 5.790 -6.089 1.00 75.55 H new ATOM 0 HE2 TYR A 54 -5.785 4.639 -7.273 1.00 11.31 H new ATOM 0 HH TYR A 54 -6.869 3.690 -5.599 1.00 4.33 H new ATOM 828 N PHE A 55 -6.661 11.153 -9.064 1.00 1.10 N ATOM 829 CA PHE A 55 -5.816 12.241 -9.542 1.00 15.10 C ATOM 830 C PHE A 55 -4.384 12.077 -9.044 1.00 14.34 C ATOM 831 O PHE A 55 -4.081 11.164 -8.277 1.00 34.34 O ATOM 832 CB PHE A 55 -6.377 13.589 -9.082 1.00 40.42 C ATOM 833 CG PHE A 55 -5.851 14.034 -7.748 1.00 33.33 C ATOM 834 CD1 PHE A 55 -5.938 13.203 -6.642 1.00 73.34 C ATOM 835 CD2 PHE A 55 -5.270 15.282 -7.598 1.00 41.24 C ATOM 836 CE1 PHE A 55 -5.456 13.610 -5.413 1.00 20.51 C ATOM 837 CE2 PHE A 55 -4.785 15.694 -6.371 1.00 52.25 C ATOM 838 CZ PHE A 55 -4.878 14.856 -5.277 1.00 44.25 C ATOM 0 H PHE A 55 -6.514 10.904 -8.086 1.00 1.10 H new ATOM 0 HA PHE A 55 -5.808 12.210 -10.632 1.00 15.10 H new ATOM 0 HB2 PHE A 55 -6.138 14.346 -9.829 1.00 40.42 H new ATOM 0 HB3 PHE A 55 -7.464 13.523 -9.031 1.00 40.42 H new ATOM 0 HD1 PHE A 55 -6.388 12.226 -6.742 1.00 73.34 H new ATOM 0 HD2 PHE A 55 -5.195 15.941 -8.450 1.00 41.24 H new ATOM 0 HE1 PHE A 55 -5.531 12.953 -4.559 1.00 20.51 H new ATOM 0 HE2 PHE A 55 -4.334 16.670 -6.268 1.00 52.25 H new ATOM 0 HZ PHE A 55 -4.499 15.175 -4.317 1.00 44.25 H new ATOM 848 N THR A 56 -3.504 12.971 -9.487 1.00 32.13 N ATOM 849 CA THR A 56 -2.103 12.925 -9.088 1.00 43.32 C ATOM 850 C THR A 56 -1.563 14.325 -8.818 1.00 61.55 C ATOM 851 O THR A 56 -2.307 15.305 -8.845 1.00 43.03 O ATOM 852 CB THR A 56 -1.234 12.252 -10.168 1.00 24.52 C ATOM 853 OG1 THR A 56 -1.026 13.151 -11.262 1.00 15.01 O ATOM 854 CG2 THR A 56 -1.890 10.975 -10.671 1.00 14.22 C ATOM 0 H THR A 56 -3.737 13.735 -10.122 1.00 32.13 H new ATOM 0 HA THR A 56 -2.053 12.336 -8.172 1.00 43.32 H new ATOM 0 HB THR A 56 -0.273 11.997 -9.722 1.00 24.52 H new ATOM 0 HG1 THR A 56 -0.471 12.715 -11.942 1.00 15.01 H new ATOM 0 HG21 THR A 56 -1.259 10.517 -11.433 1.00 14.22 H new ATOM 0 HG22 THR A 56 -2.018 10.281 -9.841 1.00 14.22 H new ATOM 0 HG23 THR A 56 -2.864 11.211 -11.101 1.00 14.22 H new ATOM 862 N LYS A 57 -0.262 14.412 -8.558 1.00 32.12 N ATOM 863 CA LYS A 57 0.380 15.692 -8.284 1.00 52.33 C ATOM 864 C LYS A 57 0.821 16.368 -9.579 1.00 74.53 C ATOM 865 O LYS A 57 1.742 15.904 -10.250 1.00 51.03 O ATOM 866 CB LYS A 57 1.586 15.495 -7.364 1.00 22.31 C ATOM 867 CG LYS A 57 1.297 14.608 -6.164 1.00 2.31 C ATOM 868 CD LYS A 57 1.977 15.130 -4.909 1.00 75.14 C ATOM 869 CE LYS A 57 3.477 14.884 -4.945 1.00 61.54 C ATOM 870 NZ LYS A 57 3.845 13.602 -4.282 1.00 15.20 N ATOM 0 H LYS A 57 0.368 13.610 -8.531 1.00 32.12 H new ATOM 0 HA LYS A 57 -0.347 16.335 -7.788 1.00 52.33 H new ATOM 0 HB2 LYS A 57 2.404 15.060 -7.939 1.00 22.31 H new ATOM 0 HB3 LYS A 57 1.927 16.469 -7.012 1.00 22.31 H new ATOM 0 HG2 LYS A 57 0.221 14.555 -6.000 1.00 2.31 H new ATOM 0 HG3 LYS A 57 1.639 13.594 -6.369 1.00 2.31 H new ATOM 0 HD2 LYS A 57 1.785 16.198 -4.807 1.00 75.14 H new ATOM 0 HD3 LYS A 57 1.548 14.644 -4.033 1.00 75.14 H new ATOM 0 HE2 LYS A 57 3.818 14.868 -5.980 1.00 61.54 H new ATOM 0 HE3 LYS A 57 3.992 15.709 -4.452 1.00 61.54 H new ATOM 0 HZ1 LYS A 57 4.876 13.471 -4.328 1.00 15.20 H new ATOM 0 HZ2 LYS A 57 3.543 13.626 -3.287 1.00 15.20 H new ATOM 0 HZ3 LYS A 57 3.374 12.812 -4.768 1.00 15.20 H new ATOM 884 N GLY A 58 0.156 17.467 -9.924 1.00 3.13 N ATOM 885 CA GLY A 58 0.495 18.189 -11.137 1.00 21.21 C ATOM 886 C GLY A 58 -0.668 18.273 -12.105 1.00 61.51 C ATOM 887 O GLY A 58 -0.498 18.677 -13.255 1.00 21.31 O ATOM 0 H GLY A 58 -0.611 17.870 -9.385 1.00 3.13 H new ATOM 0 HA2 GLY A 58 0.821 19.196 -10.878 1.00 21.21 H new ATOM 0 HA3 GLY A 58 1.336 17.697 -11.626 1.00 21.21 H new ATOM 891 N MET A 59 -1.852 17.889 -11.640 1.00 71.51 N ATOM 892 CA MET A 59 -3.048 17.923 -12.475 1.00 62.23 C ATOM 893 C MET A 59 -4.056 18.936 -11.941 1.00 22.44 C ATOM 894 O MET A 59 -5.149 19.084 -12.486 1.00 22.50 O ATOM 895 CB MET A 59 -3.688 16.535 -12.542 1.00 14.22 C ATOM 896 CG MET A 59 -2.768 15.467 -13.110 1.00 32.12 C ATOM 897 SD MET A 59 -2.873 15.344 -14.906 1.00 1.31 S ATOM 898 CE MET A 59 -2.228 13.694 -15.170 1.00 71.43 C ATOM 0 H MET A 59 -2.009 17.551 -10.691 1.00 71.51 H new ATOM 0 HA MET A 59 -2.752 18.228 -13.479 1.00 62.23 H new ATOM 0 HB2 MET A 59 -3.999 16.239 -11.540 1.00 14.22 H new ATOM 0 HB3 MET A 59 -4.589 16.589 -13.153 1.00 14.22 H new ATOM 0 HG2 MET A 59 -1.740 15.689 -12.824 1.00 32.12 H new ATOM 0 HG3 MET A 59 -3.020 14.503 -12.668 1.00 32.12 H new ATOM 0 HE1 MET A 59 -2.229 13.469 -16.237 1.00 71.43 H new ATOM 0 HE2 MET A 59 -1.209 13.636 -14.788 1.00 71.43 H new ATOM 0 HE3 MET A 59 -2.853 12.971 -14.646 1.00 71.43 H new ATOM 908 N MET A 60 -3.680 19.629 -10.871 1.00 15.13 N ATOM 909 CA MET A 60 -4.551 20.628 -10.264 1.00 53.25 C ATOM 910 C MET A 60 -3.769 21.891 -9.913 1.00 34.44 C ATOM 911 O MET A 60 -2.624 22.060 -10.330 1.00 61.33 O ATOM 912 CB MET A 60 -5.218 20.062 -9.009 1.00 61.51 C ATOM 913 CG MET A 60 -5.914 18.730 -9.241 1.00 35.24 C ATOM 914 SD MET A 60 -7.514 18.914 -10.050 1.00 51.21 S ATOM 915 CE MET A 60 -7.623 17.365 -10.943 1.00 33.13 C ATOM 0 H MET A 60 -2.779 19.517 -10.407 1.00 15.13 H new ATOM 0 HA MET A 60 -5.322 20.889 -10.989 1.00 53.25 H new ATOM 0 HB2 MET A 60 -4.465 19.939 -8.231 1.00 61.51 H new ATOM 0 HB3 MET A 60 -5.946 20.783 -8.637 1.00 61.51 H new ATOM 0 HG2 MET A 60 -5.274 18.092 -9.851 1.00 35.24 H new ATOM 0 HG3 MET A 60 -6.051 18.225 -8.285 1.00 35.24 H new ATOM 0 HE1 MET A 60 -8.562 17.329 -11.495 1.00 33.13 H new ATOM 0 HE2 MET A 60 -6.789 17.287 -11.640 1.00 33.13 H new ATOM 0 HE3 MET A 60 -7.585 16.535 -10.238 1.00 33.13 H new ATOM 925 N VAL A 61 -4.396 22.774 -9.142 1.00 54.42 N ATOM 926 CA VAL A 61 -3.758 24.020 -8.734 1.00 33.30 C ATOM 927 C VAL A 61 -3.121 23.885 -7.356 1.00 23.43 C ATOM 928 O VAL A 61 -3.430 22.960 -6.603 1.00 53.34 O ATOM 929 CB VAL A 61 -4.766 25.185 -8.710 1.00 33.23 C ATOM 930 CG1 VAL A 61 -5.465 25.315 -10.055 1.00 21.43 C ATOM 931 CG2 VAL A 61 -5.779 24.990 -7.590 1.00 24.20 C ATOM 0 H VAL A 61 -5.344 22.650 -8.788 1.00 54.42 H new ATOM 0 HA VAL A 61 -2.983 24.235 -9.470 1.00 33.30 H new ATOM 0 HB VAL A 61 -4.221 26.110 -8.520 1.00 33.23 H new ATOM 0 HG11 VAL A 61 -6.173 26.143 -10.019 1.00 21.43 H new ATOM 0 HG12 VAL A 61 -4.725 25.504 -10.833 1.00 21.43 H new ATOM 0 HG13 VAL A 61 -5.998 24.391 -10.279 1.00 21.43 H new ATOM 0 HG21 VAL A 61 -6.483 25.822 -7.588 1.00 24.20 H new ATOM 0 HG22 VAL A 61 -6.320 24.057 -7.747 1.00 24.20 H new ATOM 0 HG23 VAL A 61 -5.260 24.951 -6.632 1.00 24.20 H new ATOM 941 N LYS A 62 -2.230 24.814 -7.029 1.00 5.14 N ATOM 942 CA LYS A 62 -1.548 24.802 -5.739 1.00 71.52 C ATOM 943 C LYS A 62 -2.553 24.745 -4.594 1.00 14.34 C ATOM 944 O LYS A 62 -2.549 23.824 -3.777 1.00 5.41 O ATOM 945 CB LYS A 62 -0.663 26.042 -5.595 1.00 22.43 C ATOM 946 CG LYS A 62 -0.525 26.527 -4.162 1.00 62.54 C ATOM 947 CD LYS A 62 0.613 27.525 -4.019 1.00 31.54 C ATOM 948 CE LYS A 62 0.169 28.932 -4.388 1.00 42.25 C ATOM 949 NZ LYS A 62 -0.429 29.647 -3.228 1.00 14.10 N ATOM 0 H LYS A 62 -1.962 25.586 -7.640 1.00 5.14 H new ATOM 0 HA LYS A 62 -0.922 23.911 -5.695 1.00 71.52 H new ATOM 0 HB2 LYS A 62 0.328 25.819 -5.991 1.00 22.43 H new ATOM 0 HB3 LYS A 62 -1.077 26.846 -6.204 1.00 22.43 H new ATOM 0 HG2 LYS A 62 -1.459 26.990 -3.842 1.00 62.54 H new ATOM 0 HG3 LYS A 62 -0.349 25.676 -3.504 1.00 62.54 H new ATOM 0 HD2 LYS A 62 0.980 27.515 -2.993 1.00 31.54 H new ATOM 0 HD3 LYS A 62 1.444 27.225 -4.658 1.00 31.54 H new ATOM 0 HE2 LYS A 62 1.024 29.496 -4.761 1.00 42.25 H new ATOM 0 HE3 LYS A 62 -0.558 28.882 -5.198 1.00 42.25 H new ATOM 0 HZ1 LYS A 62 -0.719 30.602 -3.521 1.00 14.10 H new ATOM 0 HZ2 LYS A 62 -1.260 29.122 -2.888 1.00 14.10 H new ATOM 0 HZ3 LYS A 62 0.273 29.717 -2.464 1.00 14.10 H new ATOM 963 N PRO A 63 -3.437 25.753 -4.530 1.00 71.54 N ATOM 964 CA PRO A 63 -4.466 25.838 -3.490 1.00 12.13 C ATOM 965 C PRO A 63 -5.544 24.771 -3.651 1.00 12.04 C ATOM 966 O PRO A 63 -6.738 25.063 -3.570 1.00 25.31 O ATOM 967 CB PRO A 63 -5.061 27.233 -3.693 1.00 44.45 C ATOM 968 CG PRO A 63 -4.806 27.550 -5.127 1.00 25.40 C ATOM 969 CD PRO A 63 -3.501 26.883 -5.471 1.00 10.31 C ATOM 0 HA PRO A 63 -4.053 25.676 -2.494 1.00 12.13 H new ATOM 0 HB2 PRO A 63 -6.128 27.245 -3.469 1.00 44.45 H new ATOM 0 HB3 PRO A 63 -4.589 27.964 -3.036 1.00 44.45 H new ATOM 0 HG2 PRO A 63 -5.613 27.179 -5.759 1.00 25.40 H new ATOM 0 HG3 PRO A 63 -4.748 28.627 -5.285 1.00 25.40 H new ATOM 0 HD2 PRO A 63 -3.484 26.545 -6.507 1.00 10.31 H new ATOM 0 HD3 PRO A 63 -2.657 27.561 -5.343 1.00 10.31 H new ATOM 977 N PHE A 64 -5.117 23.533 -3.877 1.00 44.43 N ATOM 978 CA PHE A 64 -6.045 22.423 -4.051 1.00 1.03 C ATOM 979 C PHE A 64 -5.318 21.085 -3.954 1.00 42.03 C ATOM 980 O PHE A 64 -5.618 20.266 -3.087 1.00 21.41 O ATOM 981 CB PHE A 64 -6.759 22.533 -5.399 1.00 72.44 C ATOM 982 CG PHE A 64 -7.665 21.371 -5.694 1.00 42.01 C ATOM 983 CD1 PHE A 64 -7.162 20.211 -6.262 1.00 75.34 C ATOM 984 CD2 PHE A 64 -9.017 21.438 -5.402 1.00 42.24 C ATOM 985 CE1 PHE A 64 -7.994 19.142 -6.535 1.00 62.55 C ATOM 986 CE2 PHE A 64 -9.853 20.371 -5.673 1.00 40.11 C ATOM 987 CZ PHE A 64 -9.340 19.221 -6.239 1.00 75.24 C ATOM 0 H PHE A 64 -4.133 23.274 -3.944 1.00 44.43 H new ATOM 0 HA PHE A 64 -6.785 22.472 -3.252 1.00 1.03 H new ATOM 0 HB2 PHE A 64 -7.343 23.453 -5.418 1.00 72.44 H new ATOM 0 HB3 PHE A 64 -6.014 22.613 -6.190 1.00 72.44 H new ATOM 0 HD1 PHE A 64 -6.109 20.142 -6.494 1.00 75.34 H new ATOM 0 HD2 PHE A 64 -9.423 22.335 -4.957 1.00 42.24 H new ATOM 0 HE1 PHE A 64 -7.591 18.244 -6.980 1.00 62.55 H new ATOM 0 HE2 PHE A 64 -10.906 20.437 -5.442 1.00 40.11 H new ATOM 0 HZ PHE A 64 -9.990 18.385 -6.450 1.00 75.24 H new ATOM 997 N GLU A 65 -4.360 20.874 -4.852 1.00 31.24 N ATOM 998 CA GLU A 65 -3.590 19.635 -4.868 1.00 53.35 C ATOM 999 C GLU A 65 -2.932 19.385 -3.515 1.00 60.21 C ATOM 1000 O GLU A 65 -2.855 18.247 -3.051 1.00 11.00 O ATOM 1001 CB GLU A 65 -2.524 19.686 -5.965 1.00 74.24 C ATOM 1002 CG GLU A 65 -1.699 18.414 -6.071 1.00 51.33 C ATOM 1003 CD GLU A 65 -0.362 18.642 -6.748 1.00 23.11 C ATOM 1004 OE1 GLU A 65 -0.343 19.245 -7.841 1.00 12.22 O ATOM 1005 OE2 GLU A 65 0.668 18.217 -6.183 1.00 72.51 O ATOM 0 H GLU A 65 -4.099 21.543 -5.576 1.00 31.24 H new ATOM 0 HA GLU A 65 -4.276 18.814 -5.075 1.00 53.35 H new ATOM 0 HB2 GLU A 65 -3.009 19.876 -6.923 1.00 74.24 H new ATOM 0 HB3 GLU A 65 -1.857 20.527 -5.773 1.00 74.24 H new ATOM 0 HG2 GLU A 65 -1.532 18.009 -5.073 1.00 51.33 H new ATOM 0 HG3 GLU A 65 -2.262 17.666 -6.629 1.00 51.33 H new ATOM 1012 N ASP A 66 -2.457 20.456 -2.888 1.00 54.04 N ATOM 1013 CA ASP A 66 -1.806 20.354 -1.588 1.00 3.14 C ATOM 1014 C ASP A 66 -2.719 19.674 -0.573 1.00 72.33 C ATOM 1015 O ASP A 66 -2.363 18.650 0.009 1.00 72.53 O ATOM 1016 CB ASP A 66 -1.408 21.741 -1.083 1.00 43.32 C ATOM 1017 CG ASP A 66 -0.604 21.682 0.201 1.00 12.12 C ATOM 1018 OD1 ASP A 66 0.324 20.851 0.282 1.00 31.13 O ATOM 1019 OD2 ASP A 66 -0.903 22.467 1.126 1.00 33.31 O ATOM 0 H ASP A 66 -2.511 21.404 -3.259 1.00 54.04 H new ATOM 0 HA ASP A 66 -0.909 19.747 -1.707 1.00 3.14 H new ATOM 0 HB2 ASP A 66 -0.825 22.250 -1.850 1.00 43.32 H new ATOM 0 HB3 ASP A 66 -2.306 22.336 -0.919 1.00 43.32 H new ATOM 1024 N ALA A 67 -3.899 20.250 -0.366 1.00 71.32 N ATOM 1025 CA ALA A 67 -4.864 19.699 0.577 1.00 61.21 C ATOM 1026 C ALA A 67 -5.842 18.761 -0.123 1.00 12.10 C ATOM 1027 O ALA A 67 -6.989 18.618 0.299 1.00 43.04 O ATOM 1028 CB ALA A 67 -5.615 20.820 1.279 1.00 12.14 C ATOM 0 H ALA A 67 -4.209 21.099 -0.839 1.00 71.32 H new ATOM 0 HA ALA A 67 -4.317 19.121 1.322 1.00 61.21 H new ATOM 0 HB1 ALA A 67 -6.332 20.394 1.980 1.00 12.14 H new ATOM 0 HB2 ALA A 67 -4.908 21.448 1.820 1.00 12.14 H new ATOM 0 HB3 ALA A 67 -6.144 21.422 0.540 1.00 12.14 H new ATOM 1034 N ALA A 68 -5.380 18.126 -1.195 1.00 75.34 N ATOM 1035 CA ALA A 68 -6.214 17.201 -1.953 1.00 54.23 C ATOM 1036 C ALA A 68 -5.922 15.755 -1.568 1.00 4.30 C ATOM 1037 O ALA A 68 -6.756 14.871 -1.757 1.00 34.41 O ATOM 1038 CB ALA A 68 -6.004 17.404 -3.446 1.00 52.23 C ATOM 0 H ALA A 68 -4.433 18.235 -1.558 1.00 75.34 H new ATOM 0 HA ALA A 68 -7.256 17.410 -1.711 1.00 54.23 H new ATOM 0 HB1 ALA A 68 -6.633 16.707 -4.000 1.00 52.23 H new ATOM 0 HB2 ALA A 68 -6.271 18.426 -3.715 1.00 52.23 H new ATOM 0 HB3 ALA A 68 -4.958 17.225 -3.694 1.00 52.23 H new ATOM 1044 N PHE A 69 -4.731 15.522 -1.026 1.00 71.41 N ATOM 1045 CA PHE A 69 -4.327 14.183 -0.616 1.00 31.34 C ATOM 1046 C PHE A 69 -3.937 14.161 0.860 1.00 63.22 C ATOM 1047 O PHE A 69 -3.636 13.106 1.419 1.00 32.41 O ATOM 1048 CB PHE A 69 -3.157 13.694 -1.471 1.00 74.35 C ATOM 1049 CG PHE A 69 -2.140 14.761 -1.761 1.00 61.53 C ATOM 1050 CD1 PHE A 69 -1.486 15.411 -0.727 1.00 71.22 C ATOM 1051 CD2 PHE A 69 -1.837 15.112 -3.066 1.00 64.44 C ATOM 1052 CE1 PHE A 69 -0.549 16.393 -0.990 1.00 23.34 C ATOM 1053 CE2 PHE A 69 -0.901 16.092 -3.335 1.00 2.12 C ATOM 1054 CZ PHE A 69 -0.257 16.734 -2.296 1.00 21.12 C ATOM 0 H PHE A 69 -4.029 16.243 -0.861 1.00 71.41 H new ATOM 0 HA PHE A 69 -5.176 13.515 -0.760 1.00 31.34 H new ATOM 0 HB2 PHE A 69 -2.667 12.865 -0.961 1.00 74.35 H new ATOM 0 HB3 PHE A 69 -3.543 13.306 -2.413 1.00 74.35 H new ATOM 0 HD1 PHE A 69 -1.711 15.148 0.296 1.00 71.22 H new ATOM 0 HD2 PHE A 69 -2.338 14.614 -3.883 1.00 64.44 H new ATOM 0 HE1 PHE A 69 -0.046 16.893 -0.175 1.00 23.34 H new ATOM 0 HE2 PHE A 69 -0.673 16.356 -4.357 1.00 2.12 H new ATOM 0 HZ PHE A 69 0.474 17.501 -2.504 1.00 21.12 H new ATOM 1064 N LYS A 70 -3.941 15.334 1.484 1.00 33.53 N ATOM 1065 CA LYS A 70 -3.589 15.452 2.894 1.00 61.42 C ATOM 1066 C LYS A 70 -4.757 15.038 3.784 1.00 42.35 C ATOM 1067 O LYS A 70 -4.598 14.862 4.992 1.00 73.11 O ATOM 1068 CB LYS A 70 -3.170 16.887 3.217 1.00 14.24 C ATOM 1069 CG LYS A 70 -1.837 17.284 2.609 1.00 3.24 C ATOM 1070 CD LYS A 70 -1.567 18.770 2.778 1.00 21.41 C ATOM 1071 CE LYS A 70 -1.574 19.175 4.244 1.00 23.34 C ATOM 1072 NZ LYS A 70 -0.524 18.458 5.022 1.00 63.35 N ATOM 0 H LYS A 70 -4.184 16.217 1.035 1.00 33.53 H new ATOM 0 HA LYS A 70 -2.752 14.783 3.091 1.00 61.42 H new ATOM 0 HB2 LYS A 70 -3.940 17.570 2.860 1.00 14.24 H new ATOM 0 HB3 LYS A 70 -3.116 17.006 4.299 1.00 14.24 H new ATOM 0 HG2 LYS A 70 -1.037 16.712 3.079 1.00 3.24 H new ATOM 0 HG3 LYS A 70 -1.830 17.030 1.549 1.00 3.24 H new ATOM 0 HD2 LYS A 70 -0.602 19.018 2.336 1.00 21.41 H new ATOM 0 HD3 LYS A 70 -2.322 19.342 2.238 1.00 21.41 H new ATOM 0 HE2 LYS A 70 -1.415 20.250 4.325 1.00 23.34 H new ATOM 0 HE3 LYS A 70 -2.553 18.964 4.675 1.00 23.34 H new ATOM 0 HZ1 LYS A 70 -0.458 18.868 5.976 1.00 63.35 H new ATOM 0 HZ2 LYS A 70 -0.773 17.451 5.095 1.00 63.35 H new ATOM 0 HZ3 LYS A 70 0.392 18.554 4.539 1.00 63.35 H new ATOM 1086 N LEU A 71 -5.929 14.883 3.179 1.00 40.22 N ATOM 1087 CA LEU A 71 -7.125 14.488 3.916 1.00 24.32 C ATOM 1088 C LEU A 71 -7.091 13.001 4.251 1.00 23.44 C ATOM 1089 O LEU A 71 -6.163 12.289 3.868 1.00 43.01 O ATOM 1090 CB LEU A 71 -8.379 14.811 3.103 1.00 71.25 C ATOM 1091 CG LEU A 71 -8.373 16.147 2.360 1.00 63.31 C ATOM 1092 CD1 LEU A 71 -9.498 16.195 1.338 1.00 1.02 C ATOM 1093 CD2 LEU A 71 -8.491 17.304 3.342 1.00 74.14 C ATOM 0 H LEU A 71 -6.077 15.025 2.180 1.00 40.22 H new ATOM 0 HA LEU A 71 -7.150 15.051 4.849 1.00 24.32 H new ATOM 0 HB2 LEU A 71 -8.531 14.014 2.375 1.00 71.25 H new ATOM 0 HB3 LEU A 71 -9.237 14.796 3.775 1.00 71.25 H new ATOM 0 HG LEU A 71 -7.425 16.242 1.830 1.00 63.31 H new ATOM 0 HD11 LEU A 71 -9.478 17.153 0.819 1.00 1.02 H new ATOM 0 HD12 LEU A 71 -9.368 15.389 0.616 1.00 1.02 H new ATOM 0 HD13 LEU A 71 -10.456 16.077 1.845 1.00 1.02 H new ATOM 0 HD21 LEU A 71 -8.485 18.247 2.796 1.00 74.14 H new ATOM 0 HD22 LEU A 71 -9.423 17.214 3.900 1.00 74.14 H new ATOM 0 HD23 LEU A 71 -7.650 17.281 4.035 1.00 74.14 H new ATOM 1105 N GLN A 72 -8.110 12.538 4.968 1.00 21.53 N ATOM 1106 CA GLN A 72 -8.197 11.134 5.353 1.00 14.03 C ATOM 1107 C GLN A 72 -9.164 10.380 4.448 1.00 60.55 C ATOM 1108 O GLN A 72 -9.810 10.971 3.583 1.00 72.43 O ATOM 1109 CB GLN A 72 -8.643 11.010 6.811 1.00 53.32 C ATOM 1110 CG GLN A 72 -7.531 10.581 7.754 1.00 13.01 C ATOM 1111 CD GLN A 72 -6.833 9.316 7.295 1.00 60.32 C ATOM 1112 OE1 GLN A 72 -7.420 8.234 7.296 1.00 74.11 O ATOM 1113 NE2 GLN A 72 -5.572 9.446 6.899 1.00 43.02 N ATOM 0 H GLN A 72 -8.886 13.114 5.294 1.00 21.53 H new ATOM 0 HA GLN A 72 -7.207 10.692 5.244 1.00 14.03 H new ATOM 0 HB2 GLN A 72 -9.040 11.969 7.143 1.00 53.32 H new ATOM 0 HB3 GLN A 72 -9.458 10.289 6.873 1.00 53.32 H new ATOM 0 HG2 GLN A 72 -6.800 11.385 7.837 1.00 13.01 H new ATOM 0 HG3 GLN A 72 -7.945 10.422 8.750 1.00 13.01 H new ATOM 0 HE21 GLN A 72 -5.124 10.362 6.915 1.00 43.02 H new ATOM 0 HE22 GLN A 72 -5.051 8.629 6.579 1.00 43.02 H new ATOM 1122 N VAL A 73 -9.259 9.069 4.651 1.00 64.11 N ATOM 1123 CA VAL A 73 -10.147 8.233 3.853 1.00 13.40 C ATOM 1124 C VAL A 73 -11.608 8.585 4.109 1.00 51.15 C ATOM 1125 O VAL A 73 -12.258 7.995 4.971 1.00 0.40 O ATOM 1126 CB VAL A 73 -9.931 6.738 4.152 1.00 61.55 C ATOM 1127 CG1 VAL A 73 -9.960 6.483 5.651 1.00 53.02 C ATOM 1128 CG2 VAL A 73 -10.977 5.895 3.438 1.00 24.32 C ATOM 0 H VAL A 73 -8.731 8.563 5.362 1.00 64.11 H new ATOM 0 HA VAL A 73 -9.907 8.424 2.807 1.00 13.40 H new ATOM 0 HB VAL A 73 -8.949 6.449 3.778 1.00 61.55 H new ATOM 0 HG11 VAL A 73 -9.806 5.421 5.842 1.00 53.02 H new ATOM 0 HG12 VAL A 73 -9.169 7.057 6.133 1.00 53.02 H new ATOM 0 HG13 VAL A 73 -10.926 6.787 6.053 1.00 53.02 H new ATOM 0 HG21 VAL A 73 -10.809 4.841 3.661 1.00 24.32 H new ATOM 0 HG22 VAL A 73 -11.971 6.184 3.779 1.00 24.32 H new ATOM 0 HG23 VAL A 73 -10.901 6.055 2.363 1.00 24.32 H new ATOM 1138 N GLY A 74 -12.121 9.551 3.351 1.00 71.43 N ATOM 1139 CA GLY A 74 -13.502 9.964 3.511 1.00 51.42 C ATOM 1140 C GLY A 74 -13.635 11.250 4.301 1.00 0.12 C ATOM 1141 O GLY A 74 -14.710 11.565 4.810 1.00 40.32 O ATOM 0 H GLY A 74 -11.604 10.054 2.630 1.00 71.43 H new ATOM 0 HA2 GLY A 74 -13.954 10.097 2.528 1.00 51.42 H new ATOM 0 HA3 GLY A 74 -14.058 9.173 4.014 1.00 51.42 H new ATOM 1145 N GLU A 75 -12.539 11.995 4.406 1.00 60.12 N ATOM 1146 CA GLU A 75 -12.538 13.253 5.142 1.00 12.22 C ATOM 1147 C GLU A 75 -12.665 14.440 4.192 1.00 1.30 C ATOM 1148 O GLU A 75 -12.054 14.463 3.124 1.00 62.11 O ATOM 1149 CB GLU A 75 -11.257 13.384 5.971 1.00 74.31 C ATOM 1150 CG GLU A 75 -11.504 13.425 7.470 1.00 64.25 C ATOM 1151 CD GLU A 75 -10.415 14.168 8.220 1.00 41.02 C ATOM 1152 OE1 GLU A 75 -9.882 15.154 7.669 1.00 14.24 O ATOM 1153 OE2 GLU A 75 -10.097 13.763 9.357 1.00 12.34 O ATOM 0 H GLU A 75 -11.641 11.749 3.991 1.00 60.12 H new ATOM 0 HA GLU A 75 -13.398 13.252 5.812 1.00 12.22 H new ATOM 0 HB2 GLU A 75 -10.599 12.546 5.742 1.00 74.31 H new ATOM 0 HB3 GLU A 75 -10.732 14.292 5.673 1.00 74.31 H new ATOM 0 HG2 GLU A 75 -12.464 13.903 7.663 1.00 64.25 H new ATOM 0 HG3 GLU A 75 -11.573 12.406 7.851 1.00 64.25 H new ATOM 1160 N VAL A 76 -13.465 15.425 4.590 1.00 63.24 N ATOM 1161 CA VAL A 76 -13.673 16.616 3.775 1.00 3.01 C ATOM 1162 C VAL A 76 -12.640 17.691 4.098 1.00 33.24 C ATOM 1163 O VAL A 76 -12.290 17.900 5.260 1.00 74.11 O ATOM 1164 CB VAL A 76 -15.085 17.197 3.981 1.00 3.21 C ATOM 1165 CG1 VAL A 76 -15.277 18.446 3.134 1.00 44.44 C ATOM 1166 CG2 VAL A 76 -16.142 16.154 3.655 1.00 20.12 C ATOM 0 H VAL A 76 -13.979 15.421 5.471 1.00 63.24 H new ATOM 0 HA VAL A 76 -13.562 16.311 2.734 1.00 3.01 H new ATOM 0 HB VAL A 76 -15.195 17.477 5.029 1.00 3.21 H new ATOM 0 HG11 VAL A 76 -16.280 18.842 3.292 1.00 44.44 H new ATOM 0 HG12 VAL A 76 -14.541 19.197 3.421 1.00 44.44 H new ATOM 0 HG13 VAL A 76 -15.148 18.195 2.081 1.00 44.44 H new ATOM 0 HG21 VAL A 76 -17.133 16.581 3.806 1.00 20.12 H new ATOM 0 HG22 VAL A 76 -16.036 15.841 2.616 1.00 20.12 H new ATOM 0 HG23 VAL A 76 -16.015 15.291 4.309 1.00 20.12 H new ATOM 1176 N SER A 77 -12.157 18.369 3.064 1.00 52.15 N ATOM 1177 CA SER A 77 -11.161 19.422 3.237 1.00 73.44 C ATOM 1178 C SER A 77 -11.831 20.759 3.537 1.00 20.11 C ATOM 1179 O SER A 77 -13.008 20.957 3.237 1.00 44.14 O ATOM 1180 CB SER A 77 -10.293 19.543 1.982 1.00 34.53 C ATOM 1181 OG SER A 77 -10.713 20.630 1.176 1.00 4.20 O ATOM 0 H SER A 77 -12.438 18.209 2.097 1.00 52.15 H new ATOM 0 HA SER A 77 -10.528 19.155 4.083 1.00 73.44 H new ATOM 0 HB2 SER A 77 -9.250 19.680 2.269 1.00 34.53 H new ATOM 0 HB3 SER A 77 -10.347 18.618 1.408 1.00 34.53 H new ATOM 0 HG SER A 77 -10.040 21.341 1.209 1.00 4.20 H new ATOM 1187 N GLU A 78 -11.072 21.673 4.133 1.00 1.01 N ATOM 1188 CA GLU A 78 -11.592 22.992 4.476 1.00 25.40 C ATOM 1189 C GLU A 78 -11.805 23.834 3.222 1.00 53.13 C ATOM 1190 O GLU A 78 -11.278 23.541 2.148 1.00 1.34 O ATOM 1191 CB GLU A 78 -10.635 23.709 5.430 1.00 53.23 C ATOM 1192 CG GLU A 78 -10.960 23.489 6.898 1.00 42.05 C ATOM 1193 CD GLU A 78 -11.423 24.757 7.590 1.00 72.23 C ATOM 1194 OE1 GLU A 78 -10.557 25.559 7.997 1.00 30.32 O ATOM 1195 OE2 GLU A 78 -12.650 24.946 7.723 1.00 61.12 O ATOM 0 H GLU A 78 -10.096 21.525 4.388 1.00 1.01 H new ATOM 0 HA GLU A 78 -12.554 22.859 4.971 1.00 25.40 H new ATOM 0 HB2 GLU A 78 -9.618 23.367 5.236 1.00 53.23 H new ATOM 0 HB3 GLU A 78 -10.657 24.778 5.218 1.00 53.23 H new ATOM 0 HG2 GLU A 78 -11.736 22.728 6.984 1.00 42.05 H new ATOM 0 HG3 GLU A 78 -10.077 23.103 7.408 1.00 42.05 H new ATOM 1202 N PRO A 79 -12.596 24.908 3.359 1.00 12.32 N ATOM 1203 CA PRO A 79 -12.899 25.816 2.249 1.00 44.44 C ATOM 1204 C PRO A 79 -11.687 26.642 1.830 1.00 50.25 C ATOM 1205 O PRO A 79 -11.509 27.774 2.281 1.00 21.30 O ATOM 1206 CB PRO A 79 -13.992 26.724 2.820 1.00 25.10 C ATOM 1207 CG PRO A 79 -13.776 26.695 4.293 1.00 32.51 C ATOM 1208 CD PRO A 79 -13.258 25.319 4.610 1.00 73.31 C ATOM 0 HA PRO A 79 -13.201 25.276 1.352 1.00 44.44 H new ATOM 0 HB2 PRO A 79 -13.910 27.738 2.428 1.00 25.10 H new ATOM 0 HB3 PRO A 79 -14.986 26.360 2.558 1.00 25.10 H new ATOM 0 HG2 PRO A 79 -13.062 27.460 4.598 1.00 32.51 H new ATOM 0 HG3 PRO A 79 -14.705 26.895 4.827 1.00 32.51 H new ATOM 0 HD2 PRO A 79 -12.560 25.335 5.447 1.00 73.31 H new ATOM 0 HD3 PRO A 79 -14.065 24.638 4.880 1.00 73.31 H new ATOM 1216 N ILE A 80 -10.858 26.069 0.964 1.00 71.32 N ATOM 1217 CA ILE A 80 -9.664 26.753 0.483 1.00 11.20 C ATOM 1218 C ILE A 80 -10.021 27.833 -0.533 1.00 61.14 C ATOM 1219 O ILE A 80 -10.450 27.535 -1.649 1.00 25.13 O ATOM 1220 CB ILE A 80 -8.671 25.767 -0.160 1.00 44.44 C ATOM 1221 CG1 ILE A 80 -8.473 24.547 0.741 1.00 1.20 C ATOM 1222 CG2 ILE A 80 -7.340 26.455 -0.429 1.00 53.41 C ATOM 1223 CD1 ILE A 80 -7.843 24.878 2.076 1.00 52.41 C ATOM 0 H ILE A 80 -10.991 25.133 0.581 1.00 71.32 H new ATOM 0 HA ILE A 80 -9.194 27.215 1.351 1.00 11.20 H new ATOM 0 HB ILE A 80 -9.082 25.429 -1.111 1.00 44.44 H new ATOM 0 HG12 ILE A 80 -9.439 24.071 0.912 1.00 1.20 H new ATOM 0 HG13 ILE A 80 -7.847 23.821 0.223 1.00 1.20 H new ATOM 0 HG21 ILE A 80 -6.649 25.745 -0.883 1.00 53.41 H new ATOM 0 HG22 ILE A 80 -7.495 27.295 -1.106 1.00 53.41 H new ATOM 0 HG23 ILE A 80 -6.922 26.818 0.510 1.00 53.41 H new ATOM 0 HD11 ILE A 80 -7.733 23.966 2.662 1.00 52.41 H new ATOM 0 HD12 ILE A 80 -6.863 25.326 1.915 1.00 52.41 H new ATOM 0 HD13 ILE A 80 -8.479 25.581 2.614 1.00 52.41 H new ATOM 1235 N LYS A 81 -9.840 29.090 -0.141 1.00 25.50 N ATOM 1236 CA LYS A 81 -10.139 30.215 -1.017 1.00 53.32 C ATOM 1237 C LYS A 81 -9.106 30.326 -2.135 1.00 10.44 C ATOM 1238 O LYS A 81 -7.921 30.541 -1.878 1.00 14.32 O ATOM 1239 CB LYS A 81 -10.178 31.517 -0.214 1.00 54.34 C ATOM 1240 CG LYS A 81 -10.656 32.715 -1.018 1.00 22.22 C ATOM 1241 CD LYS A 81 -12.065 33.124 -0.624 1.00 72.45 C ATOM 1242 CE LYS A 81 -12.604 34.216 -1.536 1.00 45.32 C ATOM 1243 NZ LYS A 81 -13.064 33.672 -2.843 1.00 32.12 N ATOM 0 H LYS A 81 -9.487 29.354 0.779 1.00 25.50 H new ATOM 0 HA LYS A 81 -11.117 30.042 -1.466 1.00 53.32 H new ATOM 0 HB2 LYS A 81 -10.833 31.383 0.647 1.00 54.34 H new ATOM 0 HB3 LYS A 81 -9.181 31.725 0.173 1.00 54.34 H new ATOM 0 HG2 LYS A 81 -9.976 33.553 -0.863 1.00 22.22 H new ATOM 0 HG3 LYS A 81 -10.630 32.475 -2.081 1.00 22.22 H new ATOM 0 HD2 LYS A 81 -12.722 32.256 -0.667 1.00 72.45 H new ATOM 0 HD3 LYS A 81 -12.068 33.476 0.408 1.00 72.45 H new ATOM 0 HE2 LYS A 81 -13.432 34.725 -1.043 1.00 45.32 H new ATOM 0 HE3 LYS A 81 -11.828 34.962 -1.706 1.00 45.32 H new ATOM 0 HZ1 LYS A 81 -13.424 34.448 -3.435 1.00 32.12 H new ATOM 0 HZ2 LYS A 81 -12.268 33.209 -3.326 1.00 32.12 H new ATOM 0 HZ3 LYS A 81 -13.822 32.979 -2.683 1.00 32.12 H new ATOM 1257 N SER A 82 -9.564 30.178 -3.374 1.00 45.01 N ATOM 1258 CA SER A 82 -8.678 30.258 -4.530 1.00 1.34 C ATOM 1259 C SER A 82 -9.285 31.136 -5.619 1.00 12.12 C ATOM 1260 O SER A 82 -10.327 31.760 -5.419 1.00 74.42 O ATOM 1261 CB SER A 82 -8.397 28.860 -5.082 1.00 74.34 C ATOM 1262 OG SER A 82 -7.266 28.866 -5.935 1.00 41.14 O ATOM 0 H SER A 82 -10.542 30.002 -3.603 1.00 45.01 H new ATOM 0 HA SER A 82 -7.739 30.707 -4.207 1.00 1.34 H new ATOM 0 HB2 SER A 82 -8.231 28.167 -4.257 1.00 74.34 H new ATOM 0 HB3 SER A 82 -9.268 28.500 -5.630 1.00 74.34 H new ATOM 0 HG SER A 82 -7.552 28.705 -6.858 1.00 41.14 H new ATOM 1268 N GLU A 83 -8.625 31.180 -6.772 1.00 71.22 N ATOM 1269 CA GLU A 83 -9.100 31.981 -7.894 1.00 43.22 C ATOM 1270 C GLU A 83 -10.481 31.519 -8.348 1.00 12.00 C ATOM 1271 O GLU A 83 -11.259 32.299 -8.898 1.00 70.31 O ATOM 1272 CB GLU A 83 -8.114 31.901 -9.061 1.00 62.23 C ATOM 1273 CG GLU A 83 -7.870 30.484 -9.554 1.00 45.32 C ATOM 1274 CD GLU A 83 -6.522 30.326 -10.230 1.00 44.45 C ATOM 1275 OE1 GLU A 83 -5.518 30.127 -9.516 1.00 5.34 O ATOM 1276 OE2 GLU A 83 -6.471 30.402 -11.477 1.00 12.04 O ATOM 0 H GLU A 83 -7.760 30.671 -6.954 1.00 71.22 H new ATOM 0 HA GLU A 83 -9.174 33.016 -7.561 1.00 43.22 H new ATOM 0 HB2 GLU A 83 -8.491 32.504 -9.887 1.00 62.23 H new ATOM 0 HB3 GLU A 83 -7.164 32.339 -8.754 1.00 62.23 H new ATOM 0 HG2 GLU A 83 -7.933 29.794 -8.712 1.00 45.32 H new ATOM 0 HG3 GLU A 83 -8.658 30.206 -10.254 1.00 45.32 H new ATOM 1283 N PHE A 84 -10.779 30.245 -8.113 1.00 2.32 N ATOM 1284 CA PHE A 84 -12.066 29.677 -8.498 1.00 44.24 C ATOM 1285 C PHE A 84 -13.055 29.735 -7.339 1.00 25.33 C ATOM 1286 O PHE A 84 -14.265 29.624 -7.534 1.00 4.30 O ATOM 1287 CB PHE A 84 -11.889 28.230 -8.963 1.00 2.44 C ATOM 1288 CG PHE A 84 -10.749 28.043 -9.922 1.00 25.13 C ATOM 1289 CD1 PHE A 84 -10.707 28.746 -11.115 1.00 33.22 C ATOM 1290 CD2 PHE A 84 -9.719 27.162 -9.631 1.00 61.32 C ATOM 1291 CE1 PHE A 84 -9.659 28.577 -12.000 1.00 31.41 C ATOM 1292 CE2 PHE A 84 -8.668 26.989 -10.512 1.00 33.21 C ATOM 1293 CZ PHE A 84 -8.638 27.696 -11.698 1.00 34.42 C ATOM 0 H PHE A 84 -10.147 29.587 -7.658 1.00 2.32 H new ATOM 0 HA PHE A 84 -12.465 30.269 -9.321 1.00 44.24 H new ATOM 0 HB2 PHE A 84 -11.729 27.594 -8.092 1.00 2.44 H new ATOM 0 HB3 PHE A 84 -12.811 27.894 -9.437 1.00 2.44 H new ATOM 0 HD1 PHE A 84 -11.503 29.435 -11.356 1.00 33.22 H new ATOM 0 HD2 PHE A 84 -9.738 26.605 -8.706 1.00 61.32 H new ATOM 0 HE1 PHE A 84 -9.638 29.132 -12.926 1.00 31.41 H new ATOM 0 HE2 PHE A 84 -7.870 26.301 -10.273 1.00 33.21 H new ATOM 0 HZ PHE A 84 -7.818 27.561 -12.388 1.00 34.42 H new ATOM 1303 N GLY A 85 -12.530 29.908 -6.128 1.00 50.45 N ATOM 1304 CA GLY A 85 -13.381 29.977 -4.954 1.00 65.51 C ATOM 1305 C GLY A 85 -12.991 28.962 -3.898 1.00 12.04 C ATOM 1306 O GLY A 85 -11.852 28.497 -3.862 1.00 45.35 O ATOM 0 H GLY A 85 -11.532 30.001 -5.940 1.00 50.45 H new ATOM 0 HA2 GLY A 85 -13.328 30.979 -4.528 1.00 65.51 H new ATOM 0 HA3 GLY A 85 -14.417 29.811 -5.249 1.00 65.51 H new ATOM 1310 N TYR A 86 -13.938 28.620 -3.031 1.00 61.22 N ATOM 1311 CA TYR A 86 -13.687 27.658 -1.965 1.00 23.20 C ATOM 1312 C TYR A 86 -13.697 26.231 -2.505 1.00 2.22 C ATOM 1313 O TYR A 86 -14.701 25.766 -3.045 1.00 22.33 O ATOM 1314 CB TYR A 86 -14.735 27.804 -0.860 1.00 45.05 C ATOM 1315 CG TYR A 86 -14.666 29.127 -0.131 1.00 25.13 C ATOM 1316 CD1 TYR A 86 -13.528 29.492 0.580 1.00 71.23 C ATOM 1317 CD2 TYR A 86 -15.737 30.011 -0.152 1.00 42.34 C ATOM 1318 CE1 TYR A 86 -13.461 30.698 1.248 1.00 4.42 C ATOM 1319 CE2 TYR A 86 -15.678 31.221 0.512 1.00 65.44 C ATOM 1320 CZ TYR A 86 -14.538 31.560 1.211 1.00 44.42 C ATOM 1321 OH TYR A 86 -14.475 32.764 1.875 1.00 33.50 O ATOM 0 H TYR A 86 -14.886 28.995 -3.046 1.00 61.22 H new ATOM 0 HA TYR A 86 -12.700 27.864 -1.550 1.00 23.20 H new ATOM 0 HB2 TYR A 86 -15.728 27.690 -1.295 1.00 45.05 H new ATOM 0 HB3 TYR A 86 -14.607 26.995 -0.141 1.00 45.05 H new ATOM 0 HD1 TYR A 86 -12.683 28.821 0.610 1.00 71.23 H new ATOM 0 HD2 TYR A 86 -16.632 29.748 -0.697 1.00 42.34 H new ATOM 0 HE1 TYR A 86 -12.570 30.966 1.797 1.00 4.42 H new ATOM 0 HE2 TYR A 86 -16.519 31.898 0.484 1.00 65.44 H new ATOM 0 HH TYR A 86 -15.315 33.252 1.748 1.00 33.50 H new ATOM 1331 N HIS A 87 -12.571 25.540 -2.355 1.00 10.02 N ATOM 1332 CA HIS A 87 -12.448 24.166 -2.826 1.00 70.35 C ATOM 1333 C HIS A 87 -12.710 23.178 -1.693 1.00 62.22 C ATOM 1334 O HIS A 87 -12.075 23.245 -0.640 1.00 32.41 O ATOM 1335 CB HIS A 87 -11.058 23.927 -3.415 1.00 10.40 C ATOM 1336 CG HIS A 87 -10.837 24.617 -4.726 1.00 41.12 C ATOM 1337 ND1 HIS A 87 -11.042 24.003 -5.944 1.00 4.02 N ATOM 1338 CD2 HIS A 87 -10.428 25.876 -5.006 1.00 3.41 C ATOM 1339 CE1 HIS A 87 -10.767 24.854 -6.916 1.00 3.02 C ATOM 1340 NE2 HIS A 87 -10.392 25.999 -6.373 1.00 52.33 N ATOM 0 H HIS A 87 -11.731 25.910 -1.911 1.00 10.02 H new ATOM 0 HA HIS A 87 -13.195 24.007 -3.604 1.00 70.35 H new ATOM 0 HB2 HIS A 87 -10.307 24.268 -2.703 1.00 10.40 H new ATOM 0 HB3 HIS A 87 -10.908 22.856 -3.548 1.00 10.40 H new ATOM 0 HD1 HIS A 87 -11.357 23.042 -6.074 1.00 4.02 H new ATOM 0 HD2 HIS A 87 -10.177 26.642 -4.287 1.00 3.41 H new ATOM 0 HE1 HIS A 87 -10.837 24.649 -7.974 1.00 3.02 H new ATOM 1348 N ILE A 88 -13.647 22.263 -1.916 1.00 54.13 N ATOM 1349 CA ILE A 88 -13.991 21.262 -0.914 1.00 41.22 C ATOM 1350 C ILE A 88 -13.634 19.859 -1.393 1.00 52.45 C ATOM 1351 O ILE A 88 -14.488 19.130 -1.899 1.00 72.33 O ATOM 1352 CB ILE A 88 -15.491 21.308 -0.565 1.00 21.23 C ATOM 1353 CG1 ILE A 88 -15.866 22.684 -0.014 1.00 31.14 C ATOM 1354 CG2 ILE A 88 -15.834 20.216 0.439 1.00 40.35 C ATOM 1355 CD1 ILE A 88 -15.084 23.075 1.221 1.00 34.40 C ATOM 0 H ILE A 88 -14.182 22.194 -2.782 1.00 54.13 H new ATOM 0 HA ILE A 88 -13.411 21.496 -0.021 1.00 41.22 H new ATOM 0 HB ILE A 88 -16.067 21.133 -1.474 1.00 21.23 H new ATOM 0 HG12 ILE A 88 -15.704 23.433 -0.789 1.00 31.14 H new ATOM 0 HG13 ILE A 88 -16.930 22.694 0.221 1.00 31.14 H new ATOM 0 HG21 ILE A 88 -16.897 20.261 0.676 1.00 40.35 H new ATOM 0 HG22 ILE A 88 -15.598 19.241 0.011 1.00 40.35 H new ATOM 0 HG23 ILE A 88 -15.253 20.363 1.349 1.00 40.35 H new ATOM 0 HD11 ILE A 88 -15.403 24.062 1.556 1.00 34.40 H new ATOM 0 HD12 ILE A 88 -15.265 22.347 2.012 1.00 34.40 H new ATOM 0 HD13 ILE A 88 -14.020 23.098 0.986 1.00 34.40 H new ATOM 1367 N ILE A 89 -12.369 19.488 -1.230 1.00 60.34 N ATOM 1368 CA ILE A 89 -11.900 18.171 -1.643 1.00 13.00 C ATOM 1369 C ILE A 89 -12.271 17.108 -0.615 1.00 24.32 C ATOM 1370 O ILE A 89 -12.064 17.291 0.585 1.00 2.12 O ATOM 1371 CB ILE A 89 -10.375 18.157 -1.854 1.00 42.13 C ATOM 1372 CG1 ILE A 89 -9.936 19.392 -2.643 1.00 40.11 C ATOM 1373 CG2 ILE A 89 -9.951 16.885 -2.572 1.00 41.03 C ATOM 1374 CD1 ILE A 89 -9.229 20.429 -1.798 1.00 31.41 C ATOM 0 H ILE A 89 -11.650 20.081 -0.815 1.00 60.34 H new ATOM 0 HA ILE A 89 -12.391 17.944 -2.589 1.00 13.00 H new ATOM 0 HB ILE A 89 -9.888 18.180 -0.879 1.00 42.13 H new ATOM 0 HG12 ILE A 89 -9.274 19.081 -3.451 1.00 40.11 H new ATOM 0 HG13 ILE A 89 -10.811 19.848 -3.106 1.00 40.11 H new ATOM 0 HG21 ILE A 89 -8.870 16.890 -2.714 1.00 41.03 H new ATOM 0 HG22 ILE A 89 -10.235 16.018 -1.975 1.00 41.03 H new ATOM 0 HG23 ILE A 89 -10.444 16.834 -3.543 1.00 41.03 H new ATOM 0 HD11 ILE A 89 -8.946 21.276 -2.423 1.00 31.41 H new ATOM 0 HD12 ILE A 89 -9.896 20.769 -1.006 1.00 31.41 H new ATOM 0 HD13 ILE A 89 -8.335 19.990 -1.356 1.00 31.41 H new ATOM 1386 N LYS A 90 -12.816 15.995 -1.092 1.00 74.41 N ATOM 1387 CA LYS A 90 -13.213 14.899 -0.216 1.00 31.24 C ATOM 1388 C LYS A 90 -12.756 13.558 -0.780 1.00 23.51 C ATOM 1389 O LYS A 90 -13.168 13.159 -1.869 1.00 14.14 O ATOM 1390 CB LYS A 90 -14.732 14.894 -0.026 1.00 23.51 C ATOM 1391 CG LYS A 90 -15.230 13.765 0.859 1.00 1.41 C ATOM 1392 CD LYS A 90 -16.726 13.550 0.700 1.00 4.12 C ATOM 1393 CE LYS A 90 -17.165 12.221 1.295 1.00 41.33 C ATOM 1394 NZ LYS A 90 -18.511 11.812 0.807 1.00 52.42 N ATOM 0 H LYS A 90 -12.993 15.828 -2.082 1.00 74.41 H new ATOM 0 HA LYS A 90 -12.733 15.049 0.751 1.00 31.24 H new ATOM 0 HB2 LYS A 90 -15.039 15.846 0.407 1.00 23.51 H new ATOM 0 HB3 LYS A 90 -15.212 14.818 -1.002 1.00 23.51 H new ATOM 0 HG2 LYS A 90 -14.701 12.845 0.609 1.00 1.41 H new ATOM 0 HG3 LYS A 90 -15.003 13.991 1.901 1.00 1.41 H new ATOM 0 HD2 LYS A 90 -17.265 14.363 1.186 1.00 4.12 H new ATOM 0 HD3 LYS A 90 -16.989 13.581 -0.357 1.00 4.12 H new ATOM 0 HE2 LYS A 90 -16.437 11.451 1.040 1.00 41.33 H new ATOM 0 HE3 LYS A 90 -17.181 12.297 2.382 1.00 41.33 H new ATOM 0 HZ1 LYS A 90 -18.759 10.886 1.209 1.00 52.42 H new ATOM 0 HZ2 LYS A 90 -19.216 12.517 1.101 1.00 52.42 H new ATOM 0 HZ3 LYS A 90 -18.499 11.747 -0.231 1.00 52.42 H new ATOM 1408 N ARG A 91 -11.902 12.866 -0.032 1.00 1.22 N ATOM 1409 CA ARG A 91 -11.390 11.569 -0.458 1.00 44.23 C ATOM 1410 C ARG A 91 -12.496 10.518 -0.450 1.00 4.34 C ATOM 1411 O ARG A 91 -13.414 10.575 0.369 1.00 24.20 O ATOM 1412 CB ARG A 91 -10.243 11.126 0.451 1.00 1.44 C ATOM 1413 CG ARG A 91 -9.779 9.702 0.196 1.00 24.20 C ATOM 1414 CD ARG A 91 -8.456 9.415 0.889 1.00 24.53 C ATOM 1415 NE ARG A 91 -8.237 7.983 1.080 1.00 0.30 N ATOM 1416 CZ ARG A 91 -7.156 7.476 1.663 1.00 12.44 C ATOM 1417 NH1 ARG A 91 -6.201 8.279 2.110 1.00 54.44 N ATOM 1418 NH2 ARG A 91 -7.030 6.163 1.800 1.00 33.51 N ATOM 0 H ARG A 91 -11.550 13.182 0.872 1.00 1.22 H new ATOM 0 HA ARG A 91 -11.017 11.671 -1.477 1.00 44.23 H new ATOM 0 HB2 ARG A 91 -9.400 11.804 0.315 1.00 1.44 H new ATOM 0 HB3 ARG A 91 -10.559 11.215 1.490 1.00 1.44 H new ATOM 0 HG2 ARG A 91 -10.536 9.002 0.550 1.00 24.20 H new ATOM 0 HG3 ARG A 91 -9.672 9.539 -0.876 1.00 24.20 H new ATOM 0 HD2 ARG A 91 -7.640 9.831 0.298 1.00 24.53 H new ATOM 0 HD3 ARG A 91 -8.437 9.917 1.856 1.00 24.53 H new ATOM 0 HE ARG A 91 -8.953 7.337 0.748 1.00 0.30 H new ATOM 0 HH11 ARG A 91 -6.295 9.289 2.007 1.00 54.44 H new ATOM 0 HH12 ARG A 91 -5.372 7.887 2.557 1.00 54.44 H new ATOM 0 HH21 ARG A 91 -7.763 5.542 1.458 1.00 33.51 H new ATOM 0 HH22 ARG A 91 -6.200 5.774 2.248 1.00 33.51 H new ATOM 1432 N PHE A 92 -12.401 9.560 -1.366 1.00 35.23 N ATOM 1433 CA PHE A 92 -13.394 8.497 -1.464 1.00 62.41 C ATOM 1434 C PHE A 92 -12.740 7.126 -1.317 1.00 3.32 C ATOM 1435 O PHE A 92 -13.357 6.180 -0.830 1.00 12.24 O ATOM 1436 CB PHE A 92 -14.131 8.581 -2.803 1.00 12.02 C ATOM 1437 CG PHE A 92 -15.336 9.476 -2.768 1.00 32.12 C ATOM 1438 CD1 PHE A 92 -15.222 10.799 -2.370 1.00 44.25 C ATOM 1439 CD2 PHE A 92 -16.584 8.996 -3.133 1.00 3.13 C ATOM 1440 CE1 PHE A 92 -16.330 11.625 -2.337 1.00 21.23 C ATOM 1441 CE2 PHE A 92 -17.695 9.817 -3.101 1.00 43.32 C ATOM 1442 CZ PHE A 92 -17.567 11.134 -2.704 1.00 51.22 C ATOM 0 H PHE A 92 -11.647 9.498 -2.050 1.00 35.23 H new ATOM 0 HA PHE A 92 -14.110 8.627 -0.653 1.00 62.41 H new ATOM 0 HB2 PHE A 92 -13.442 8.943 -3.566 1.00 12.02 H new ATOM 0 HB3 PHE A 92 -14.441 7.580 -3.102 1.00 12.02 H new ATOM 0 HD1 PHE A 92 -14.257 11.189 -2.082 1.00 44.25 H new ATOM 0 HD2 PHE A 92 -16.689 7.968 -3.446 1.00 3.13 H new ATOM 0 HE1 PHE A 92 -16.228 12.654 -2.024 1.00 21.23 H new ATOM 0 HE2 PHE A 92 -18.662 9.430 -3.386 1.00 43.32 H new ATOM 0 HZ PHE A 92 -18.433 11.779 -2.681 1.00 51.22 H new ATOM 1452 N GLY A 93 -11.484 7.028 -1.742 1.00 21.34 N ATOM 1453 CA GLY A 93 -10.765 5.770 -1.650 1.00 33.43 C ATOM 1454 C GLY A 93 -10.732 5.224 -0.236 1.00 71.41 C ATOM 1455 O GLY A 93 -9.761 4.582 0.166 1.00 32.10 O ATOM 0 H GLY A 93 -10.951 7.797 -2.148 1.00 21.34 H new ATOM 0 HA2 GLY A 93 -11.233 5.038 -2.308 1.00 33.43 H new ATOM 0 HA3 GLY A 93 -9.744 5.911 -2.006 1.00 33.43 H new