USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 983 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 116 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 119 GLN : amide:sc= -1.01 K(o=-1,f=0.027) USER MOD Set 2.1: A 95 SER OG : rot 180:sc= -0.0174 USER MOD Set 2.2: A 109 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.3) USER MOD Set 3.1: A 54 ASN : amide:sc= -4.48! C(o=-10!,f=-14!) USER MOD Set 3.2: A 85 MET CE :methyl -173:sc= -5.45! (180deg=-4.99!) USER MOD Set 3.3: A 112 MET CE :methyl 148:sc= -0.437 (180deg=-1.87) USER MOD Set 4.1: A 39 THR OG1 : rot 180:sc= 0.0183 USER MOD Set 4.2: A 43 GLN : amide:sc= -0.899 X(o=-0.88,f=-1.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -3.79! C(o=-3.8!,f=-7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 121:sc= 1.06 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0703 USER MOD Single : A 29 ASN : amide:sc= 0.147 K(o=0.15,f=-5!) USER MOD Single : A 47 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.17) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.11! K(o=-3.1!,f=-0.6) USER MOD Single : A 64 THR OG1 : rot 117:sc= 0.00474 USER MOD Single : A 71 GLN : amide:sc= -2.08! K(o=-2.1!,f=-0.86) USER MOD Single : A 74 THR OG1 : rot 28:sc= 0.189 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.4! K(o=-1.4!,f=-0.33) USER MOD Single : A 100 SER OG : rot 26:sc= 0.465 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -13.243 -1.809 6.874 1.00 62.35 N ATOM 51 CA ILE A 4 -12.766 -2.615 5.750 1.00 13.13 C ATOM 52 C ILE A 4 -12.346 -1.776 4.536 1.00 22.12 C ATOM 53 O ILE A 4 -11.709 -0.729 4.679 1.00 11.33 O ATOM 54 CB ILE A 4 -13.805 -3.701 5.347 1.00 15.43 C ATOM 55 CG1 ILE A 4 -15.136 -3.085 4.897 1.00 31.31 C ATOM 56 CG2 ILE A 4 -14.038 -4.657 6.513 1.00 61.34 C ATOM 57 CD1 ILE A 4 -16.149 -4.112 4.452 1.00 13.23 C ATOM 0 HA ILE A 4 -11.864 -3.116 6.103 1.00 13.13 H new ATOM 0 HB ILE A 4 -13.395 -4.250 4.499 1.00 15.43 H new ATOM 0 HG12 ILE A 4 -15.555 -2.503 5.718 1.00 31.31 H new ATOM 0 HG13 ILE A 4 -14.949 -2.391 4.078 1.00 31.31 H new ATOM 0 HG21 ILE A 4 -14.767 -5.414 6.223 1.00 61.34 H new ATOM 0 HG22 ILE A 4 -13.099 -5.141 6.780 1.00 61.34 H new ATOM 0 HG23 ILE A 4 -14.416 -4.100 7.370 1.00 61.34 H new ATOM 0 HD11 ILE A 4 -17.067 -3.609 4.147 1.00 13.23 H new ATOM 0 HD12 ILE A 4 -15.748 -4.678 3.611 1.00 13.23 H new ATOM 0 HD13 ILE A 4 -16.364 -4.792 5.276 1.00 13.23 H new ATOM 69 N ASP A 5 -12.679 -2.265 3.351 1.00 62.04 N ATOM 70 CA ASP A 5 -12.254 -1.662 2.092 1.00 24.03 C ATOM 71 C ASP A 5 -13.302 -0.706 1.523 1.00 65.21 C ATOM 72 O ASP A 5 -13.307 -0.433 0.321 1.00 35.34 O ATOM 73 CB ASP A 5 -11.967 -2.772 1.073 1.00 44.14 C ATOM 74 CG ASP A 5 -13.172 -3.660 0.817 1.00 51.23 C ATOM 75 OD1 ASP A 5 -13.557 -4.432 1.726 1.00 31.31 O ATOM 76 OD2 ASP A 5 -13.745 -3.595 -0.289 1.00 70.32 O ATOM 0 H ASP A 5 -13.256 -3.098 3.233 1.00 62.04 H new ATOM 0 HA ASP A 5 -11.354 -1.079 2.290 1.00 24.03 H new ATOM 0 HB2 ASP A 5 -11.646 -2.322 0.133 1.00 44.14 H new ATOM 0 HB3 ASP A 5 -11.140 -3.384 1.432 1.00 44.14 H new ATOM 81 N ASP A 6 -14.170 -0.169 2.373 1.00 52.25 N ATOM 82 CA ASP A 6 -15.207 0.748 1.902 1.00 22.32 C ATOM 83 C ASP A 6 -14.622 2.124 1.590 1.00 62.32 C ATOM 84 O ASP A 6 -14.573 2.993 2.460 1.00 32.23 O ATOM 85 CB ASP A 6 -16.351 0.877 2.915 1.00 64.41 C ATOM 86 CG ASP A 6 -17.443 1.820 2.433 1.00 15.15 C ATOM 87 OD1 ASP A 6 -18.153 1.475 1.466 1.00 64.41 O ATOM 88 OD2 ASP A 6 -17.594 2.914 3.019 1.00 31.21 O ATOM 0 H ASP A 6 -14.179 -0.347 3.377 1.00 52.25 H new ATOM 0 HA ASP A 6 -15.615 0.326 0.984 1.00 22.32 H new ATOM 0 HB2 ASP A 6 -16.780 -0.107 3.103 1.00 64.41 H new ATOM 0 HB3 ASP A 6 -15.955 1.238 3.864 1.00 64.41 H new ATOM 93 N TYR A 7 -14.122 2.248 0.349 1.00 30.03 N ATOM 94 CA TYR A 7 -13.609 3.494 -0.261 1.00 70.23 C ATOM 95 C TYR A 7 -13.544 4.676 0.709 1.00 20.42 C ATOM 96 O TYR A 7 -14.487 5.461 0.807 1.00 12.41 O ATOM 97 CB TYR A 7 -14.479 3.859 -1.467 1.00 33.32 C ATOM 98 CG TYR A 7 -14.749 2.688 -2.389 1.00 41.02 C ATOM 99 CD1 TYR A 7 -13.829 2.307 -3.359 1.00 3.13 C ATOM 100 CD2 TYR A 7 -15.926 1.957 -2.280 1.00 5.53 C ATOM 101 CE1 TYR A 7 -14.078 1.232 -4.193 1.00 41.11 C ATOM 102 CE2 TYR A 7 -16.180 0.883 -3.110 1.00 10.21 C ATOM 103 CZ TYR A 7 -15.255 0.524 -4.064 1.00 61.53 C ATOM 104 OH TYR A 7 -15.505 -0.548 -4.892 1.00 20.54 O ATOM 0 H TYR A 7 -14.060 1.452 -0.286 1.00 30.03 H new ATOM 0 HA TYR A 7 -12.581 3.296 -0.566 1.00 70.23 H new ATOM 0 HB2 TYR A 7 -15.429 4.260 -1.113 1.00 33.32 H new ATOM 0 HB3 TYR A 7 -13.989 4.652 -2.032 1.00 33.32 H new ATOM 0 HD1 TYR A 7 -12.906 2.858 -3.463 1.00 3.13 H new ATOM 0 HD2 TYR A 7 -16.655 2.234 -1.533 1.00 5.53 H new ATOM 0 HE1 TYR A 7 -13.354 0.948 -4.942 1.00 41.11 H new ATOM 0 HE2 TYR A 7 -17.101 0.327 -3.011 1.00 10.21 H new ATOM 0 HH TYR A 7 -16.376 -0.937 -4.669 1.00 20.54 H new ATOM 114 N PRO A 8 -12.432 4.808 1.447 1.00 61.11 N ATOM 115 CA PRO A 8 -12.284 5.827 2.488 1.00 31.41 C ATOM 116 C PRO A 8 -11.789 7.181 1.967 1.00 74.30 C ATOM 117 O PRO A 8 -11.597 8.111 2.750 1.00 24.23 O ATOM 118 CB PRO A 8 -11.247 5.216 3.450 1.00 43.24 C ATOM 119 CG PRO A 8 -10.823 3.909 2.847 1.00 13.40 C ATOM 120 CD PRO A 8 -11.252 3.950 1.384 1.00 63.53 C ATOM 0 HA PRO A 8 -13.247 6.052 2.947 1.00 31.41 H new ATOM 0 HB2 PRO A 8 -10.393 5.882 3.573 1.00 43.24 H new ATOM 0 HB3 PRO A 8 -11.678 5.065 4.440 1.00 43.24 H new ATOM 0 HG2 PRO A 8 -9.745 3.774 2.932 1.00 13.40 H new ATOM 0 HG3 PRO A 8 -11.291 3.072 3.366 1.00 13.40 H new ATOM 0 HD2 PRO A 8 -10.476 4.367 0.741 1.00 63.53 H new ATOM 0 HD3 PRO A 8 -11.487 2.958 0.998 1.00 63.53 H new ATOM 128 N GLN A 9 -11.579 7.300 0.657 1.00 24.01 N ATOM 129 CA GLN A 9 -11.133 8.568 0.071 1.00 34.41 C ATOM 130 C GLN A 9 -11.495 8.624 -1.412 1.00 52.54 C ATOM 131 O GLN A 9 -12.388 9.378 -1.799 1.00 3.22 O ATOM 132 CB GLN A 9 -9.624 8.756 0.284 1.00 73.15 C ATOM 133 CG GLN A 9 -9.146 10.197 0.119 1.00 62.01 C ATOM 134 CD GLN A 9 -8.931 10.621 -1.325 1.00 1.21 C ATOM 135 OE1 GLN A 9 -9.162 11.771 -1.682 1.00 4.14 O ATOM 136 NE2 GLN A 9 -8.428 9.720 -2.153 1.00 31.02 N ATOM 0 H GLN A 9 -11.708 6.544 -0.015 1.00 24.01 H new ATOM 0 HA GLN A 9 -11.646 9.388 0.574 1.00 34.41 H new ATOM 0 HB2 GLN A 9 -9.363 8.410 1.284 1.00 73.15 H new ATOM 0 HB3 GLN A 9 -9.087 8.123 -0.422 1.00 73.15 H new ATOM 0 HG2 GLN A 9 -9.876 10.865 0.577 1.00 62.01 H new ATOM 0 HG3 GLN A 9 -8.212 10.323 0.666 1.00 62.01 H new ATOM 0 HE21 GLN A 9 -8.247 8.771 -1.825 1.00 31.02 H new ATOM 0 HE22 GLN A 9 -8.221 9.974 -3.119 1.00 31.02 H new ATOM 145 N ALA A 10 -10.770 7.850 -2.232 1.00 14.34 N ATOM 146 CA ALA A 10 -11.109 7.647 -3.641 1.00 22.11 C ATOM 147 C ALA A 10 -10.772 8.870 -4.488 1.00 61.24 C ATOM 148 O ALA A 10 -11.469 9.883 -4.457 1.00 44.42 O ATOM 149 CB ALA A 10 -12.574 7.255 -3.809 1.00 21.42 C ATOM 0 H ALA A 10 -9.933 7.349 -1.934 1.00 14.34 H new ATOM 0 HA ALA A 10 -10.496 6.821 -4.001 1.00 22.11 H new ATOM 0 HB1 ALA A 10 -12.793 7.112 -4.867 1.00 21.42 H new ATOM 0 HB2 ALA A 10 -12.767 6.328 -3.270 1.00 21.42 H new ATOM 0 HB3 ALA A 10 -13.210 8.045 -3.410 1.00 21.42 H new ATOM 155 N LYS A 11 -9.680 8.766 -5.229 1.00 3.31 N ATOM 156 CA LYS A 11 -9.287 9.807 -6.162 1.00 54.24 C ATOM 157 C LYS A 11 -8.695 9.161 -7.410 1.00 25.13 C ATOM 158 O LYS A 11 -9.294 8.243 -7.966 1.00 73.31 O ATOM 159 CB LYS A 11 -8.317 10.796 -5.499 1.00 34.45 C ATOM 160 CG LYS A 11 -8.205 12.124 -6.246 1.00 4.22 C ATOM 161 CD LYS A 11 -7.709 13.245 -5.345 1.00 62.24 C ATOM 162 CE LYS A 11 -8.720 13.568 -4.257 1.00 71.03 C ATOM 163 NZ LYS A 11 -8.262 14.666 -3.368 1.00 72.00 N ATOM 0 H LYS A 11 -9.048 7.966 -5.201 1.00 3.31 H new ATOM 0 HA LYS A 11 -10.161 10.386 -6.460 1.00 54.24 H new ATOM 0 HB2 LYS A 11 -8.646 10.988 -4.478 1.00 34.45 H new ATOM 0 HB3 LYS A 11 -7.330 10.339 -5.435 1.00 34.45 H new ATOM 0 HG2 LYS A 11 -7.524 12.009 -7.090 1.00 4.22 H new ATOM 0 HG3 LYS A 11 -9.179 12.392 -6.656 1.00 4.22 H new ATOM 0 HD2 LYS A 11 -6.762 12.956 -4.890 1.00 62.24 H new ATOM 0 HD3 LYS A 11 -7.517 14.136 -5.942 1.00 62.24 H new ATOM 0 HE2 LYS A 11 -9.668 13.848 -4.717 1.00 71.03 H new ATOM 0 HE3 LYS A 11 -8.906 12.675 -3.661 1.00 71.03 H new ATOM 0 HZ1 LYS A 11 -8.984 14.850 -2.643 1.00 72.00 H new ATOM 0 HZ2 LYS A 11 -7.371 14.391 -2.907 1.00 72.00 H new ATOM 0 HZ3 LYS A 11 -8.109 15.527 -3.931 1.00 72.00 H new ATOM 177 N ARG A 12 -7.522 9.609 -7.824 1.00 24.23 N ATOM 178 CA ARG A 12 -6.917 9.150 -9.077 1.00 65.24 C ATOM 179 C ARG A 12 -5.566 9.832 -9.292 1.00 22.44 C ATOM 180 O ARG A 12 -4.931 10.241 -8.323 1.00 4.33 O ATOM 181 CB ARG A 12 -7.868 9.409 -10.260 1.00 73.00 C ATOM 182 CG ARG A 12 -8.320 10.855 -10.413 1.00 61.40 C ATOM 183 CD ARG A 12 -9.392 10.975 -11.482 1.00 43.03 C ATOM 184 NE ARG A 12 -9.960 12.318 -11.555 1.00 40.45 N ATOM 185 CZ ARG A 12 -11.197 12.625 -11.150 1.00 61.31 C ATOM 186 NH1 ARG A 12 -11.951 11.707 -10.551 1.00 24.53 N ATOM 187 NH2 ARG A 12 -11.667 13.851 -11.327 1.00 23.14 N ATOM 0 H ARG A 12 -6.963 10.292 -7.314 1.00 24.23 H new ATOM 0 HA ARG A 12 -6.747 8.075 -9.015 1.00 65.24 H new ATOM 0 HB2 ARG A 12 -7.373 9.099 -11.180 1.00 73.00 H new ATOM 0 HB3 ARG A 12 -8.749 8.778 -10.144 1.00 73.00 H new ATOM 0 HG2 ARG A 12 -8.706 11.223 -9.462 1.00 61.40 H new ATOM 0 HG3 ARG A 12 -7.467 11.481 -10.675 1.00 61.40 H new ATOM 0 HD2 ARG A 12 -8.967 10.711 -12.450 1.00 43.03 H new ATOM 0 HD3 ARG A 12 -10.187 10.258 -11.277 1.00 43.03 H new ATOM 0 HE ARG A 12 -9.380 13.065 -11.937 1.00 40.45 H new ATOM 0 HH11 ARG A 12 -11.586 10.767 -10.400 1.00 24.53 H new ATOM 0 HH12 ARG A 12 -12.894 11.944 -10.243 1.00 24.53 H new ATOM 0 HH21 ARG A 12 -11.085 14.561 -11.772 1.00 23.14 H new ATOM 0 HH22 ARG A 12 -12.611 14.085 -11.018 1.00 23.14 H new ATOM 201 N VAL A 13 -5.152 9.959 -10.559 1.00 34.31 N ATOM 202 CA VAL A 13 -3.832 10.494 -10.936 1.00 11.45 C ATOM 203 C VAL A 13 -3.354 11.662 -10.051 1.00 70.55 C ATOM 204 O VAL A 13 -2.229 11.620 -9.554 1.00 23.15 O ATOM 205 CB VAL A 13 -3.802 10.935 -12.419 1.00 42.12 C ATOM 206 CG1 VAL A 13 -2.407 11.385 -12.821 1.00 75.34 C ATOM 207 CG2 VAL A 13 -4.273 9.807 -13.322 1.00 1.21 C ATOM 0 H VAL A 13 -5.726 9.692 -11.359 1.00 34.31 H new ATOM 0 HA VAL A 13 -3.141 9.665 -10.780 1.00 11.45 H new ATOM 0 HB VAL A 13 -4.482 11.779 -12.534 1.00 42.12 H new ATOM 0 HG11 VAL A 13 -2.411 11.690 -13.867 1.00 75.34 H new ATOM 0 HG12 VAL A 13 -2.103 12.226 -12.199 1.00 75.34 H new ATOM 0 HG13 VAL A 13 -1.706 10.561 -12.686 1.00 75.34 H new ATOM 0 HG21 VAL A 13 -4.245 10.136 -14.361 1.00 1.21 H new ATOM 0 HG22 VAL A 13 -3.619 8.944 -13.197 1.00 1.21 H new ATOM 0 HG23 VAL A 13 -5.293 9.530 -13.057 1.00 1.21 H new ATOM 217 N PRO A 14 -4.162 12.722 -9.840 1.00 42.34 N ATOM 218 CA PRO A 14 -3.768 13.824 -8.969 1.00 45.05 C ATOM 219 C PRO A 14 -4.086 13.556 -7.495 1.00 72.04 C ATOM 220 O PRO A 14 -5.089 14.041 -6.970 1.00 11.50 O ATOM 221 CB PRO A 14 -4.582 15.025 -9.484 1.00 21.13 C ATOM 222 CG PRO A 14 -5.533 14.490 -10.511 1.00 12.01 C ATOM 223 CD PRO A 14 -5.483 12.966 -10.421 1.00 45.10 C ATOM 0 HA PRO A 14 -2.690 13.985 -9.002 1.00 45.05 H new ATOM 0 HB2 PRO A 14 -5.123 15.505 -8.668 1.00 21.13 H new ATOM 0 HB3 PRO A 14 -3.926 15.779 -9.919 1.00 21.13 H new ATOM 0 HG2 PRO A 14 -6.544 14.854 -10.326 1.00 12.01 H new ATOM 0 HG3 PRO A 14 -5.251 14.826 -11.509 1.00 12.01 H new ATOM 0 HD2 PRO A 14 -6.281 12.571 -9.793 1.00 45.10 H new ATOM 0 HD3 PRO A 14 -5.587 12.499 -11.400 1.00 45.10 H new ATOM 231 N GLY A 15 -3.249 12.754 -6.847 1.00 42.25 N ATOM 232 CA GLY A 15 -3.359 12.569 -5.411 1.00 74.50 C ATOM 233 C GLY A 15 -4.344 11.490 -5.003 1.00 50.41 C ATOM 234 O GLY A 15 -5.262 11.741 -4.222 1.00 2.52 O ATOM 0 H GLY A 15 -2.496 12.228 -7.290 1.00 42.25 H new ATOM 0 HA2 GLY A 15 -2.376 12.320 -5.010 1.00 74.50 H new ATOM 0 HA3 GLY A 15 -3.659 13.512 -4.955 1.00 74.50 H new ATOM 238 N LEU A 16 -4.154 10.284 -5.512 1.00 73.50 N ATOM 239 CA LEU A 16 -4.993 9.161 -5.133 1.00 13.14 C ATOM 240 C LEU A 16 -4.591 8.632 -3.765 1.00 4.51 C ATOM 241 O LEU A 16 -3.645 7.856 -3.621 1.00 3.24 O ATOM 242 CB LEU A 16 -4.947 8.051 -6.197 1.00 24.21 C ATOM 243 CG LEU A 16 -5.410 6.659 -5.748 1.00 31.33 C ATOM 244 CD1 LEU A 16 -6.784 6.718 -5.111 1.00 54.44 C ATOM 245 CD2 LEU A 16 -5.408 5.698 -6.925 1.00 63.24 C ATOM 0 H LEU A 16 -3.425 10.058 -6.189 1.00 73.50 H new ATOM 0 HA LEU A 16 -6.023 9.511 -5.070 1.00 13.14 H new ATOM 0 HB2 LEU A 16 -5.563 8.361 -7.041 1.00 24.21 H new ATOM 0 HB3 LEU A 16 -3.923 7.970 -6.562 1.00 24.21 H new ATOM 0 HG LEU A 16 -4.709 6.295 -4.997 1.00 31.33 H new ATOM 0 HD11 LEU A 16 -7.086 5.717 -4.803 1.00 54.44 H new ATOM 0 HD12 LEU A 16 -6.753 7.372 -4.240 1.00 54.44 H new ATOM 0 HD13 LEU A 16 -7.503 7.108 -5.832 1.00 54.44 H new ATOM 0 HD21 LEU A 16 -5.739 4.714 -6.592 1.00 63.24 H new ATOM 0 HD22 LEU A 16 -6.084 6.066 -7.696 1.00 63.24 H new ATOM 0 HD23 LEU A 16 -4.400 5.623 -7.332 1.00 63.24 H new ATOM 257 N VAL A 17 -5.301 9.098 -2.760 1.00 63.43 N ATOM 258 CA VAL A 17 -5.128 8.610 -1.411 1.00 11.42 C ATOM 259 C VAL A 17 -6.008 7.383 -1.196 1.00 74.31 C ATOM 260 O VAL A 17 -7.231 7.497 -1.084 1.00 34.32 O ATOM 261 CB VAL A 17 -5.502 9.701 -0.384 1.00 31.55 C ATOM 262 CG1 VAL A 17 -5.243 9.228 1.038 1.00 42.53 C ATOM 263 CG2 VAL A 17 -4.742 10.988 -0.676 1.00 71.51 C ATOM 0 H VAL A 17 -6.012 9.823 -2.856 1.00 63.43 H new ATOM 0 HA VAL A 17 -4.081 8.343 -1.269 1.00 11.42 H new ATOM 0 HB VAL A 17 -6.569 9.903 -0.476 1.00 31.55 H new ATOM 0 HG11 VAL A 17 -5.516 10.017 1.739 1.00 42.53 H new ATOM 0 HG12 VAL A 17 -5.841 8.340 1.241 1.00 42.53 H new ATOM 0 HG13 VAL A 17 -4.186 8.988 1.155 1.00 42.53 H new ATOM 0 HG21 VAL A 17 -5.017 11.747 0.057 1.00 71.51 H new ATOM 0 HG22 VAL A 17 -3.670 10.799 -0.618 1.00 71.51 H new ATOM 0 HG23 VAL A 17 -4.994 11.341 -1.676 1.00 71.51 H new ATOM 273 N VAL A 18 -5.407 6.208 -1.193 1.00 61.42 N ATOM 274 CA VAL A 18 -6.150 5.000 -0.902 1.00 20.51 C ATOM 275 C VAL A 18 -5.587 4.358 0.357 1.00 13.23 C ATOM 276 O VAL A 18 -4.395 4.471 0.644 1.00 24.34 O ATOM 277 CB VAL A 18 -6.139 4.001 -2.084 1.00 63.44 C ATOM 278 CG1 VAL A 18 -4.825 3.256 -2.170 1.00 30.44 C ATOM 279 CG2 VAL A 18 -7.309 3.031 -1.986 1.00 44.43 C ATOM 0 H VAL A 18 -4.416 6.066 -1.387 1.00 61.42 H new ATOM 0 HA VAL A 18 -7.193 5.273 -0.741 1.00 20.51 H new ATOM 0 HB VAL A 18 -6.250 4.577 -3.003 1.00 63.44 H new ATOM 0 HG11 VAL A 18 -4.854 2.564 -3.011 1.00 30.44 H new ATOM 0 HG12 VAL A 18 -4.012 3.968 -2.313 1.00 30.44 H new ATOM 0 HG13 VAL A 18 -4.661 2.699 -1.247 1.00 30.44 H new ATOM 0 HG21 VAL A 18 -7.280 2.339 -2.828 1.00 44.43 H new ATOM 0 HG22 VAL A 18 -7.240 2.471 -1.053 1.00 44.43 H new ATOM 0 HG23 VAL A 18 -8.246 3.588 -2.007 1.00 44.43 H new ATOM 289 N TYR A 19 -6.442 3.708 1.120 1.00 4.42 N ATOM 290 CA TYR A 19 -6.064 3.241 2.440 1.00 41.51 C ATOM 291 C TYR A 19 -5.658 1.776 2.436 1.00 22.41 C ATOM 292 O TYR A 19 -6.112 0.982 1.608 1.00 72.52 O ATOM 293 CB TYR A 19 -7.213 3.447 3.429 1.00 30.20 C ATOM 294 CG TYR A 19 -7.448 4.891 3.827 1.00 32.33 C ATOM 295 CD1 TYR A 19 -7.812 5.850 2.889 1.00 73.20 C ATOM 296 CD2 TYR A 19 -7.322 5.288 5.153 1.00 55.41 C ATOM 297 CE1 TYR A 19 -8.044 7.160 3.262 1.00 54.44 C ATOM 298 CE2 TYR A 19 -7.550 6.596 5.533 1.00 63.40 C ATOM 299 CZ TYR A 19 -7.911 7.529 4.584 1.00 15.03 C ATOM 300 OH TYR A 19 -8.152 8.831 4.959 1.00 72.14 O ATOM 0 H TYR A 19 -7.401 3.491 0.850 1.00 4.42 H new ATOM 0 HA TYR A 19 -5.200 3.829 2.749 1.00 41.51 H new ATOM 0 HB2 TYR A 19 -8.129 3.050 2.990 1.00 30.20 H new ATOM 0 HB3 TYR A 19 -7.011 2.864 4.327 1.00 30.20 H new ATOM 0 HD1 TYR A 19 -7.915 5.567 1.852 1.00 73.20 H new ATOM 0 HD2 TYR A 19 -7.041 4.560 5.900 1.00 55.41 H new ATOM 0 HE1 TYR A 19 -8.328 7.892 2.521 1.00 54.44 H new ATOM 0 HE2 TYR A 19 -7.446 6.887 6.568 1.00 63.40 H new ATOM 0 HH TYR A 19 -8.015 8.924 5.925 1.00 72.14 H new ATOM 310 N ARG A 20 -4.775 1.446 3.367 1.00 52.52 N ATOM 311 CA ARG A 20 -4.465 0.070 3.710 1.00 73.23 C ATOM 312 C ARG A 20 -5.688 -0.508 4.408 1.00 51.54 C ATOM 313 O ARG A 20 -5.733 -0.580 5.636 1.00 30.10 O ATOM 314 CB ARG A 20 -3.245 0.049 4.642 1.00 1.33 C ATOM 315 CG ARG A 20 -2.107 -0.867 4.218 1.00 14.14 C ATOM 316 CD ARG A 20 -2.377 -2.316 4.578 1.00 72.40 C ATOM 317 NE ARG A 20 -1.135 -3.085 4.699 1.00 65.01 N ATOM 318 CZ ARG A 20 -1.018 -4.382 4.421 1.00 52.43 C ATOM 319 NH1 ARG A 20 -2.047 -5.067 3.947 1.00 73.23 N ATOM 320 NH2 ARG A 20 0.135 -5.001 4.616 1.00 55.33 N ATOM 0 H ARG A 20 -4.250 2.133 3.909 1.00 52.52 H new ATOM 0 HA ARG A 20 -4.228 -0.521 2.826 1.00 73.23 H new ATOM 0 HB2 ARG A 20 -2.858 1.064 4.726 1.00 1.33 H new ATOM 0 HB3 ARG A 20 -3.576 -0.249 5.637 1.00 1.33 H new ATOM 0 HG2 ARG A 20 -1.956 -0.783 3.142 1.00 14.14 H new ATOM 0 HG3 ARG A 20 -1.183 -0.541 4.695 1.00 14.14 H new ATOM 0 HD2 ARG A 20 -2.926 -2.361 5.519 1.00 72.40 H new ATOM 0 HD3 ARG A 20 -3.012 -2.768 3.816 1.00 72.40 H new ATOM 0 HE ARG A 20 -0.301 -2.592 5.019 1.00 65.01 H new ATOM 0 HH11 ARG A 20 -2.941 -4.602 3.791 1.00 73.23 H new ATOM 0 HH12 ARG A 20 -1.946 -6.060 3.738 1.00 73.23 H new ATOM 0 HH21 ARG A 20 0.936 -4.485 4.980 1.00 55.33 H new ATOM 0 HH22 ARG A 20 0.223 -5.995 4.403 1.00 55.33 H new ATOM 334 N TYR A 21 -6.691 -0.853 3.603 1.00 44.42 N ATOM 335 CA TYR A 21 -8.033 -1.157 4.090 1.00 2.22 C ATOM 336 C TYR A 21 -8.047 -2.228 5.170 1.00 44.40 C ATOM 337 O TYR A 21 -7.206 -3.129 5.197 1.00 3.20 O ATOM 338 CB TYR A 21 -8.956 -1.541 2.933 1.00 10.52 C ATOM 339 CG TYR A 21 -8.468 -2.687 2.076 1.00 53.12 C ATOM 340 CD1 TYR A 21 -8.785 -4.002 2.392 1.00 61.43 C ATOM 341 CD2 TYR A 21 -7.715 -2.449 0.934 1.00 5.42 C ATOM 342 CE1 TYR A 21 -8.360 -5.047 1.598 1.00 4.12 C ATOM 343 CE2 TYR A 21 -7.292 -3.488 0.131 1.00 54.30 C ATOM 344 CZ TYR A 21 -7.615 -4.784 0.468 1.00 24.41 C ATOM 345 OH TYR A 21 -7.204 -5.822 -0.336 1.00 51.35 O ATOM 0 H TYR A 21 -6.594 -0.930 2.590 1.00 44.42 H new ATOM 0 HA TYR A 21 -8.407 -0.245 4.554 1.00 2.22 H new ATOM 0 HB2 TYR A 21 -9.933 -1.802 3.340 1.00 10.52 H new ATOM 0 HB3 TYR A 21 -9.099 -0.667 2.297 1.00 10.52 H new ATOM 0 HD1 TYR A 21 -9.374 -4.210 3.273 1.00 61.43 H new ATOM 0 HD2 TYR A 21 -7.456 -1.434 0.670 1.00 5.42 H new ATOM 0 HE1 TYR A 21 -8.609 -6.065 1.860 1.00 4.12 H new ATOM 0 HE2 TYR A 21 -6.711 -3.286 -0.757 1.00 54.30 H new ATOM 0 HH TYR A 21 -7.564 -5.699 -1.239 1.00 51.35 H new ATOM 355 N ASP A 22 -9.039 -2.131 6.039 1.00 3.31 N ATOM 356 CA ASP A 22 -9.092 -2.946 7.240 1.00 33.01 C ATOM 357 C ASP A 22 -9.944 -4.186 7.037 1.00 51.34 C ATOM 358 O ASP A 22 -11.027 -4.306 7.609 1.00 25.14 O ATOM 359 CB ASP A 22 -9.634 -2.126 8.410 1.00 23.44 C ATOM 360 CG ASP A 22 -8.562 -1.807 9.424 1.00 72.55 C ATOM 361 OD1 ASP A 22 -8.251 -2.688 10.245 1.00 44.44 O ATOM 362 OD2 ASP A 22 -8.011 -0.685 9.397 1.00 2.25 O ATOM 0 H ASP A 22 -9.825 -1.490 5.933 1.00 3.31 H new ATOM 0 HA ASP A 22 -8.076 -3.271 7.465 1.00 33.01 H new ATOM 0 HB2 ASP A 22 -10.064 -1.198 8.033 1.00 23.44 H new ATOM 0 HB3 ASP A 22 -10.440 -2.677 8.896 1.00 23.44 H new ATOM 367 N ALA A 23 -9.462 -5.102 6.213 1.00 32.33 N ATOM 368 CA ALA A 23 -10.181 -6.339 5.966 1.00 74.21 C ATOM 369 C ALA A 23 -9.242 -7.511 5.739 1.00 51.51 C ATOM 370 O ALA A 23 -8.349 -7.445 4.894 1.00 64.12 O ATOM 371 CB ALA A 23 -11.082 -6.182 4.761 1.00 43.43 C ATOM 0 H ALA A 23 -8.581 -5.013 5.707 1.00 32.33 H new ATOM 0 HA ALA A 23 -10.775 -6.550 6.855 1.00 74.21 H new ATOM 0 HB1 ALA A 23 -11.617 -7.115 4.583 1.00 43.43 H new ATOM 0 HB2 ALA A 23 -11.799 -5.381 4.944 1.00 43.43 H new ATOM 0 HB3 ALA A 23 -10.480 -5.937 3.886 1.00 43.43 H new ATOM 377 N PRO A 24 -9.430 -8.596 6.507 1.00 35.35 N ATOM 378 CA PRO A 24 -8.649 -9.828 6.356 1.00 3.53 C ATOM 379 C PRO A 24 -8.903 -10.513 5.021 1.00 71.53 C ATOM 380 O PRO A 24 -9.829 -11.315 4.884 1.00 50.41 O ATOM 381 CB PRO A 24 -9.119 -10.724 7.512 1.00 2.22 C ATOM 382 CG PRO A 24 -9.794 -9.803 8.466 1.00 70.51 C ATOM 383 CD PRO A 24 -10.401 -8.703 7.604 1.00 52.51 C ATOM 0 HA PRO A 24 -7.579 -9.622 6.379 1.00 3.53 H new ATOM 0 HB2 PRO A 24 -9.802 -11.497 7.159 1.00 2.22 H new ATOM 0 HB3 PRO A 24 -8.278 -11.233 7.983 1.00 2.22 H new ATOM 0 HG2 PRO A 24 -10.562 -10.323 9.038 1.00 70.51 H new ATOM 0 HG3 PRO A 24 -9.085 -9.393 9.185 1.00 70.51 H new ATOM 0 HD2 PRO A 24 -11.394 -8.970 7.244 1.00 52.51 H new ATOM 0 HD3 PRO A 24 -10.502 -7.766 8.151 1.00 52.51 H new ATOM 391 N LEU A 25 -8.102 -10.167 4.027 1.00 33.24 N ATOM 392 CA LEU A 25 -8.185 -10.834 2.741 1.00 63.13 C ATOM 393 C LEU A 25 -7.101 -11.890 2.647 1.00 65.03 C ATOM 394 O LEU A 25 -7.085 -12.701 1.717 1.00 44.31 O ATOM 395 CB LEU A 25 -8.144 -9.831 1.551 1.00 33.35 C ATOM 396 CG LEU A 25 -6.820 -9.094 1.215 1.00 5.25 C ATOM 397 CD1 LEU A 25 -6.165 -8.474 2.438 1.00 32.30 C ATOM 398 CD2 LEU A 25 -5.842 -10.004 0.483 1.00 52.13 C ATOM 0 H LEU A 25 -7.394 -9.435 4.085 1.00 33.24 H new ATOM 0 HA LEU A 25 -9.154 -11.328 2.668 1.00 63.13 H new ATOM 0 HB2 LEU A 25 -8.451 -10.373 0.657 1.00 33.35 H new ATOM 0 HB3 LEU A 25 -8.902 -9.071 1.739 1.00 33.35 H new ATOM 0 HG LEU A 25 -7.091 -8.275 0.548 1.00 5.25 H new ATOM 0 HD11 LEU A 25 -5.244 -7.972 2.142 1.00 32.30 H new ATOM 0 HD12 LEU A 25 -6.845 -7.749 2.887 1.00 32.30 H new ATOM 0 HD13 LEU A 25 -5.936 -9.255 3.163 1.00 32.30 H new ATOM 0 HD21 LEU A 25 -4.927 -9.454 0.264 1.00 52.13 H new ATOM 0 HD22 LEU A 25 -5.607 -10.864 1.109 1.00 52.13 H new ATOM 0 HD23 LEU A 25 -6.291 -10.346 -0.449 1.00 52.13 H new ATOM 410 N CYS A 26 -6.206 -11.873 3.639 1.00 33.00 N ATOM 411 CA CYS A 26 -5.145 -12.866 3.769 1.00 65.03 C ATOM 412 C CYS A 26 -4.141 -12.742 2.627 1.00 13.31 C ATOM 413 O CYS A 26 -3.072 -12.156 2.806 1.00 12.24 O ATOM 414 CB CYS A 26 -5.737 -14.278 3.822 1.00 1.43 C ATOM 415 SG CYS A 26 -7.059 -14.471 5.041 1.00 62.13 S ATOM 0 H CYS A 26 -6.200 -11.167 4.375 1.00 33.00 H new ATOM 0 HA CYS A 26 -4.615 -12.680 4.703 1.00 65.03 H new ATOM 0 HB2 CYS A 26 -6.124 -14.537 2.836 1.00 1.43 H new ATOM 0 HB3 CYS A 26 -4.941 -14.987 4.048 1.00 1.43 H new ATOM 0 HG CYS A 26 -7.500 -15.694 5.013 1.00 62.13 H new ATOM 421 N PHE A 27 -4.505 -13.314 1.474 1.00 35.05 N ATOM 422 CA PHE A 27 -3.744 -13.210 0.222 1.00 51.11 C ATOM 423 C PHE A 27 -4.268 -14.220 -0.795 1.00 51.32 C ATOM 424 O PHE A 27 -3.630 -14.458 -1.819 1.00 34.04 O ATOM 425 CB PHE A 27 -2.243 -13.449 0.429 1.00 24.21 C ATOM 426 CG PHE A 27 -1.878 -14.872 0.770 1.00 21.01 C ATOM 427 CD1 PHE A 27 -2.200 -15.410 2.006 1.00 12.51 C ATOM 428 CD2 PHE A 27 -1.210 -15.666 -0.148 1.00 41.40 C ATOM 429 CE1 PHE A 27 -1.867 -16.713 2.316 1.00 24.12 C ATOM 430 CE2 PHE A 27 -0.874 -16.970 0.157 1.00 60.42 C ATOM 431 CZ PHE A 27 -1.203 -17.493 1.391 1.00 62.24 C ATOM 0 H PHE A 27 -5.353 -13.873 1.382 1.00 35.05 H new ATOM 0 HA PHE A 27 -3.878 -12.193 -0.146 1.00 51.11 H new ATOM 0 HB2 PHE A 27 -1.713 -13.159 -0.478 1.00 24.21 H new ATOM 0 HB3 PHE A 27 -1.890 -12.796 1.227 1.00 24.21 H new ATOM 0 HD1 PHE A 27 -2.717 -14.803 2.734 1.00 12.51 H new ATOM 0 HD2 PHE A 27 -0.949 -15.260 -1.114 1.00 41.40 H new ATOM 0 HE1 PHE A 27 -2.126 -17.122 3.282 1.00 24.12 H new ATOM 0 HE2 PHE A 27 -0.355 -17.579 -0.568 1.00 60.42 H new ATOM 0 HZ PHE A 27 -0.941 -18.512 1.633 1.00 62.24 H new ATOM 441 N ALA A 28 -5.446 -14.781 -0.518 1.00 50.43 N ATOM 442 CA ALA A 28 -5.991 -15.883 -1.310 1.00 21.52 C ATOM 443 C ALA A 28 -5.994 -15.572 -2.803 1.00 41.32 C ATOM 444 O ALA A 28 -5.452 -16.328 -3.606 1.00 40.20 O ATOM 445 CB ALA A 28 -7.398 -16.215 -0.839 1.00 61.24 C ATOM 0 H ALA A 28 -6.044 -14.487 0.254 1.00 50.43 H new ATOM 0 HA ALA A 28 -5.343 -16.747 -1.161 1.00 21.52 H new ATOM 0 HB1 ALA A 28 -7.796 -17.037 -1.434 1.00 61.24 H new ATOM 0 HB2 ALA A 28 -7.371 -16.507 0.211 1.00 61.24 H new ATOM 0 HB3 ALA A 28 -8.037 -15.340 -0.956 1.00 61.24 H new ATOM 451 N ASN A 29 -6.594 -14.453 -3.163 1.00 21.23 N ATOM 452 CA ASN A 29 -6.676 -14.043 -4.558 1.00 12.22 C ATOM 453 C ASN A 29 -5.768 -12.849 -4.819 1.00 34.51 C ATOM 454 O ASN A 29 -5.874 -12.195 -5.853 1.00 35.13 O ATOM 455 CB ASN A 29 -8.124 -13.694 -4.929 1.00 42.44 C ATOM 456 CG ASN A 29 -8.687 -12.531 -4.126 1.00 72.31 C ATOM 457 OD1 ASN A 29 -8.323 -12.316 -2.967 1.00 4.30 O ATOM 458 ND2 ASN A 29 -9.586 -11.775 -4.738 1.00 40.12 N ATOM 0 H ASN A 29 -7.034 -13.807 -2.508 1.00 21.23 H new ATOM 0 HA ASN A 29 -6.345 -14.875 -5.179 1.00 12.22 H new ATOM 0 HB2 ASN A 29 -8.171 -13.450 -5.990 1.00 42.44 H new ATOM 0 HB3 ASN A 29 -8.753 -14.571 -4.775 1.00 42.44 H new ATOM 0 HD21 ASN A 29 -10.003 -10.983 -4.250 1.00 40.12 H new ATOM 0 HD22 ASN A 29 -9.861 -11.985 -5.697 1.00 40.12 H new ATOM 465 N ALA A 30 -4.841 -12.610 -3.894 1.00 31.53 N ATOM 466 CA ALA A 30 -4.015 -11.406 -3.914 1.00 42.04 C ATOM 467 C ALA A 30 -3.190 -11.286 -5.189 1.00 33.42 C ATOM 468 O ALA A 30 -2.857 -10.184 -5.602 1.00 22.24 O ATOM 469 CB ALA A 30 -3.102 -11.364 -2.701 1.00 72.22 C ATOM 0 H ALA A 30 -4.643 -13.239 -3.116 1.00 31.53 H new ATOM 0 HA ALA A 30 -4.698 -10.557 -3.885 1.00 42.04 H new ATOM 0 HB1 ALA A 30 -2.495 -10.460 -2.734 1.00 72.22 H new ATOM 0 HB2 ALA A 30 -3.704 -11.364 -1.792 1.00 72.22 H new ATOM 0 HB3 ALA A 30 -2.451 -12.238 -2.705 1.00 72.22 H new ATOM 475 N GLU A 31 -2.855 -12.410 -5.796 1.00 74.24 N ATOM 476 CA GLU A 31 -2.113 -12.408 -7.054 1.00 15.13 C ATOM 477 C GLU A 31 -2.893 -11.675 -8.149 1.00 74.20 C ATOM 478 O GLU A 31 -2.637 -10.492 -8.456 1.00 12.45 O ATOM 479 CB GLU A 31 -1.843 -13.859 -7.483 1.00 10.43 C ATOM 480 CG GLU A 31 -1.247 -14.007 -8.875 1.00 25.00 C ATOM 481 CD GLU A 31 0.180 -13.523 -8.962 1.00 42.32 C ATOM 482 OE1 GLU A 31 0.395 -12.307 -9.110 1.00 44.43 O ATOM 483 OE2 GLU A 31 1.093 -14.371 -8.898 1.00 4.42 O ATOM 0 H GLU A 31 -3.083 -13.339 -5.442 1.00 74.24 H new ATOM 0 HA GLU A 31 -1.169 -11.884 -6.905 1.00 15.13 H new ATOM 0 HB2 GLU A 31 -1.166 -14.317 -6.762 1.00 10.43 H new ATOM 0 HB3 GLU A 31 -2.779 -14.417 -7.441 1.00 10.43 H new ATOM 0 HG2 GLU A 31 -1.288 -15.055 -9.172 1.00 25.00 H new ATOM 0 HG3 GLU A 31 -1.857 -13.450 -9.586 1.00 25.00 H new ATOM 490 N ASP A 32 -3.870 -12.385 -8.699 1.00 14.21 N ATOM 491 CA ASP A 32 -4.663 -11.892 -9.811 1.00 22.11 C ATOM 492 C ASP A 32 -5.377 -10.611 -9.426 1.00 5.04 C ATOM 493 O ASP A 32 -5.288 -9.615 -10.133 1.00 70.01 O ATOM 494 CB ASP A 32 -5.675 -12.954 -10.251 1.00 44.11 C ATOM 495 CG ASP A 32 -6.570 -12.481 -11.380 1.00 22.13 C ATOM 496 OD1 ASP A 32 -6.049 -12.184 -12.473 1.00 53.22 O ATOM 497 OD2 ASP A 32 -7.801 -12.410 -11.176 1.00 74.41 O ATOM 0 H ASP A 32 -4.133 -13.319 -8.384 1.00 14.21 H new ATOM 0 HA ASP A 32 -3.996 -11.678 -10.646 1.00 22.11 H new ATOM 0 HB2 ASP A 32 -5.140 -13.849 -10.568 1.00 44.11 H new ATOM 0 HB3 ASP A 32 -6.292 -13.237 -9.398 1.00 44.11 H new ATOM 502 N PHE A 33 -6.032 -10.633 -8.274 1.00 22.01 N ATOM 503 CA PHE A 33 -6.803 -9.492 -7.805 1.00 35.43 C ATOM 504 C PHE A 33 -5.959 -8.223 -7.721 1.00 23.23 C ATOM 505 O PHE A 33 -6.316 -7.201 -8.307 1.00 3.03 O ATOM 506 CB PHE A 33 -7.424 -9.795 -6.437 1.00 12.41 C ATOM 507 CG PHE A 33 -7.801 -8.568 -5.663 1.00 1.13 C ATOM 508 CD1 PHE A 33 -8.799 -7.724 -6.121 1.00 14.25 C ATOM 509 CD2 PHE A 33 -7.136 -8.243 -4.488 1.00 43.22 C ATOM 510 CE1 PHE A 33 -9.131 -6.582 -5.425 1.00 12.45 C ATOM 511 CE2 PHE A 33 -7.464 -7.100 -3.792 1.00 42.53 C ATOM 512 CZ PHE A 33 -8.465 -6.268 -4.262 1.00 74.45 C ATOM 0 H PHE A 33 -6.044 -11.435 -7.644 1.00 22.01 H new ATOM 0 HA PHE A 33 -7.594 -9.316 -8.534 1.00 35.43 H new ATOM 0 HB2 PHE A 33 -8.312 -10.412 -6.579 1.00 12.41 H new ATOM 0 HB3 PHE A 33 -6.719 -10.382 -5.849 1.00 12.41 H new ATOM 0 HD1 PHE A 33 -9.323 -7.964 -7.034 1.00 14.25 H new ATOM 0 HD2 PHE A 33 -6.356 -8.891 -4.117 1.00 43.22 H new ATOM 0 HE1 PHE A 33 -9.913 -5.934 -5.792 1.00 12.45 H new ATOM 0 HE2 PHE A 33 -6.940 -6.854 -2.880 1.00 42.53 H new ATOM 0 HZ PHE A 33 -8.724 -5.373 -3.716 1.00 74.45 H new ATOM 522 N ARG A 34 -4.839 -8.284 -7.005 1.00 13.02 N ATOM 523 CA ARG A 34 -4.069 -7.079 -6.723 1.00 3.23 C ATOM 524 C ARG A 34 -3.594 -6.427 -8.008 1.00 21.14 C ATOM 525 O ARG A 34 -3.830 -5.235 -8.223 1.00 3.53 O ATOM 526 CB ARG A 34 -2.872 -7.375 -5.820 1.00 21.33 C ATOM 527 CG ARG A 34 -2.158 -6.128 -5.325 1.00 42.22 C ATOM 528 CD ARG A 34 -3.052 -5.299 -4.419 1.00 63.31 C ATOM 529 NE ARG A 34 -3.461 -6.047 -3.229 1.00 22.01 N ATOM 530 CZ ARG A 34 -4.528 -5.747 -2.488 1.00 12.13 C ATOM 531 NH1 ARG A 34 -5.292 -4.708 -2.805 1.00 62.32 N ATOM 532 NH2 ARG A 34 -4.830 -6.490 -1.429 1.00 44.42 N ATOM 0 H ARG A 34 -4.450 -9.142 -6.615 1.00 13.02 H new ATOM 0 HA ARG A 34 -4.731 -6.390 -6.199 1.00 3.23 H new ATOM 0 HB2 ARG A 34 -3.210 -7.954 -4.961 1.00 21.33 H new ATOM 0 HB3 ARG A 34 -2.162 -7.997 -6.365 1.00 21.33 H new ATOM 0 HG2 ARG A 34 -1.256 -6.414 -4.785 1.00 42.22 H new ATOM 0 HG3 ARG A 34 -1.842 -5.526 -6.177 1.00 42.22 H new ATOM 0 HD2 ARG A 34 -2.525 -4.394 -4.117 1.00 63.31 H new ATOM 0 HD3 ARG A 34 -3.937 -4.983 -4.972 1.00 63.31 H new ATOM 0 HE ARG A 34 -2.894 -6.848 -2.949 1.00 22.01 H new ATOM 0 HH11 ARG A 34 -5.063 -4.136 -3.618 1.00 62.32 H new ATOM 0 HH12 ARG A 34 -6.107 -4.482 -2.235 1.00 62.32 H new ATOM 0 HH21 ARG A 34 -4.246 -7.289 -1.183 1.00 44.42 H new ATOM 0 HH22 ARG A 34 -5.646 -6.261 -0.861 1.00 44.42 H new ATOM 546 N ARG A 35 -2.950 -7.198 -8.879 1.00 40.42 N ATOM 547 CA ARG A 35 -2.385 -6.603 -10.077 1.00 71.04 C ATOM 548 C ARG A 35 -3.473 -6.277 -11.103 1.00 71.35 C ATOM 549 O ARG A 35 -3.443 -5.220 -11.725 1.00 54.44 O ATOM 550 CB ARG A 35 -1.258 -7.469 -10.664 1.00 44.50 C ATOM 551 CG ARG A 35 -1.654 -8.874 -11.085 1.00 30.04 C ATOM 552 CD ARG A 35 -1.949 -8.942 -12.571 1.00 51.14 C ATOM 553 NE ARG A 35 -1.814 -10.296 -13.097 1.00 63.54 N ATOM 554 CZ ARG A 35 -2.448 -10.740 -14.177 1.00 53.52 C ATOM 555 NH1 ARG A 35 -3.284 -9.948 -14.840 1.00 52.33 N ATOM 556 NH2 ARG A 35 -2.234 -11.974 -14.611 1.00 62.12 N ATOM 0 H ARG A 35 -2.811 -8.204 -8.781 1.00 40.42 H new ATOM 0 HA ARG A 35 -1.927 -5.655 -9.794 1.00 71.04 H new ATOM 0 HB2 ARG A 35 -0.843 -6.954 -11.531 1.00 44.50 H new ATOM 0 HB3 ARG A 35 -0.460 -7.543 -9.925 1.00 44.50 H new ATOM 0 HG2 ARG A 35 -0.851 -9.569 -10.839 1.00 30.04 H new ATOM 0 HG3 ARG A 35 -2.533 -9.190 -10.523 1.00 30.04 H new ATOM 0 HD2 ARG A 35 -2.961 -8.581 -12.756 1.00 51.14 H new ATOM 0 HD3 ARG A 35 -1.271 -8.277 -13.105 1.00 51.14 H new ATOM 0 HE ARG A 35 -1.195 -10.941 -12.606 1.00 63.54 H new ATOM 0 HH11 ARG A 35 -3.443 -8.992 -14.521 1.00 52.33 H new ATOM 0 HH12 ARG A 35 -3.767 -10.296 -15.668 1.00 52.33 H new ATOM 0 HH21 ARG A 35 -1.583 -12.583 -14.116 1.00 62.12 H new ATOM 0 HH22 ARG A 35 -2.721 -12.315 -15.440 1.00 62.12 H new ATOM 570 N ARG A 36 -4.464 -7.144 -11.245 1.00 23.44 N ATOM 571 CA ARG A 36 -5.556 -6.885 -12.176 1.00 10.41 C ATOM 572 C ARG A 36 -6.317 -5.627 -11.778 1.00 40.31 C ATOM 573 O ARG A 36 -6.406 -4.676 -12.551 1.00 40.14 O ATOM 574 CB ARG A 36 -6.505 -8.086 -12.239 1.00 4.15 C ATOM 575 CG ARG A 36 -7.830 -7.819 -12.940 1.00 40.44 C ATOM 576 CD ARG A 36 -7.640 -7.375 -14.379 1.00 13.45 C ATOM 577 NE ARG A 36 -8.908 -7.347 -15.104 1.00 44.43 N ATOM 578 CZ ARG A 36 -9.569 -6.237 -15.421 1.00 2.04 C ATOM 579 NH1 ARG A 36 -9.115 -5.049 -15.039 1.00 3.04 N ATOM 580 NH2 ARG A 36 -10.701 -6.311 -16.109 1.00 41.25 N ATOM 0 H ARG A 36 -4.537 -8.024 -10.735 1.00 23.44 H new ATOM 0 HA ARG A 36 -5.129 -6.728 -13.167 1.00 10.41 H new ATOM 0 HB2 ARG A 36 -5.998 -8.905 -12.750 1.00 4.15 H new ATOM 0 HB3 ARG A 36 -6.710 -8.423 -11.223 1.00 4.15 H new ATOM 0 HG2 ARG A 36 -8.439 -8.723 -12.918 1.00 40.44 H new ATOM 0 HG3 ARG A 36 -8.379 -7.051 -12.395 1.00 40.44 H new ATOM 0 HD2 ARG A 36 -7.187 -6.384 -14.398 1.00 13.45 H new ATOM 0 HD3 ARG A 36 -6.948 -8.051 -14.881 1.00 13.45 H new ATOM 0 HE ARG A 36 -9.314 -8.239 -15.386 1.00 44.43 H new ATOM 0 HH11 ARG A 36 -8.253 -4.982 -14.498 1.00 3.04 H new ATOM 0 HH12 ARG A 36 -9.628 -4.203 -15.287 1.00 3.04 H new ATOM 0 HH21 ARG A 36 -11.065 -7.220 -16.395 1.00 41.25 H new ATOM 0 HH22 ARG A 36 -11.207 -5.459 -16.352 1.00 41.25 H new ATOM 594 N ALA A 37 -6.814 -5.598 -10.556 1.00 5.41 N ATOM 595 CA ALA A 37 -7.703 -4.534 -10.136 1.00 13.21 C ATOM 596 C ALA A 37 -6.935 -3.237 -9.985 1.00 54.14 C ATOM 597 O ALA A 37 -7.158 -2.286 -10.725 1.00 62.11 O ATOM 598 CB ALA A 37 -8.406 -4.895 -8.835 1.00 64.21 C ATOM 0 H ALA A 37 -6.618 -6.297 -9.840 1.00 5.41 H new ATOM 0 HA ALA A 37 -8.465 -4.401 -10.904 1.00 13.21 H new ATOM 0 HB1 ALA A 37 -9.068 -4.080 -8.541 1.00 64.21 H new ATOM 0 HB2 ALA A 37 -8.991 -5.804 -8.977 1.00 64.21 H new ATOM 0 HB3 ALA A 37 -7.664 -5.060 -8.054 1.00 64.21 H new ATOM 604 N LEU A 38 -5.989 -3.234 -9.065 1.00 62.52 N ATOM 605 CA LEU A 38 -5.270 -2.022 -8.716 1.00 43.33 C ATOM 606 C LEU A 38 -4.399 -1.559 -9.878 1.00 60.22 C ATOM 607 O LEU A 38 -4.480 -0.406 -10.321 1.00 41.44 O ATOM 608 CB LEU A 38 -4.402 -2.284 -7.481 1.00 71.25 C ATOM 609 CG LEU A 38 -3.835 -1.045 -6.797 1.00 20.01 C ATOM 610 CD1 LEU A 38 -4.957 -0.245 -6.156 1.00 45.41 C ATOM 611 CD2 LEU A 38 -2.794 -1.442 -5.761 1.00 45.24 C ATOM 0 H LEU A 38 -5.699 -4.061 -8.543 1.00 62.52 H new ATOM 0 HA LEU A 38 -5.991 -1.235 -8.495 1.00 43.33 H new ATOM 0 HB2 LEU A 38 -4.995 -2.839 -6.754 1.00 71.25 H new ATOM 0 HB3 LEU A 38 -3.572 -2.927 -7.773 1.00 71.25 H new ATOM 0 HG LEU A 38 -3.348 -0.419 -7.545 1.00 20.01 H new ATOM 0 HD11 LEU A 38 -4.542 0.638 -5.670 1.00 45.41 H new ATOM 0 HD12 LEU A 38 -5.668 0.063 -6.922 1.00 45.41 H new ATOM 0 HD13 LEU A 38 -5.466 -0.862 -5.415 1.00 45.41 H new ATOM 0 HD21 LEU A 38 -2.398 -0.547 -5.281 1.00 45.24 H new ATOM 0 HD22 LEU A 38 -3.255 -2.083 -5.009 1.00 45.24 H new ATOM 0 HD23 LEU A 38 -1.982 -1.981 -6.249 1.00 45.24 H new ATOM 623 N THR A 39 -3.608 -2.482 -10.406 1.00 72.24 N ATOM 624 CA THR A 39 -2.568 -2.132 -11.347 1.00 45.54 C ATOM 625 C THR A 39 -3.128 -1.762 -12.719 1.00 53.02 C ATOM 626 O THR A 39 -2.579 -0.898 -13.412 1.00 62.32 O ATOM 627 CB THR A 39 -1.534 -3.269 -11.455 1.00 42.30 C ATOM 628 OG1 THR A 39 -0.727 -3.312 -10.267 1.00 61.51 O ATOM 629 CG2 THR A 39 -0.658 -3.111 -12.678 1.00 1.33 C ATOM 0 H THR A 39 -3.671 -3.478 -10.195 1.00 72.24 H new ATOM 0 HA THR A 39 -2.068 -1.242 -10.964 1.00 45.54 H new ATOM 0 HB THR A 39 -2.077 -4.209 -11.557 1.00 42.30 H new ATOM 0 HG1 THR A 39 -0.073 -4.038 -10.342 1.00 61.51 H new ATOM 0 HG21 THR A 39 0.059 -3.931 -12.721 1.00 1.33 H new ATOM 0 HG22 THR A 39 -1.278 -3.124 -13.574 1.00 1.33 H new ATOM 0 HG23 THR A 39 -0.122 -2.163 -12.622 1.00 1.33 H new ATOM 637 N VAL A 40 -4.234 -2.378 -13.100 1.00 21.40 N ATOM 638 CA VAL A 40 -4.800 -2.136 -14.411 1.00 75.04 C ATOM 639 C VAL A 40 -5.697 -0.898 -14.435 1.00 74.35 C ATOM 640 O VAL A 40 -5.724 -0.182 -15.440 1.00 50.51 O ATOM 641 CB VAL A 40 -5.556 -3.379 -14.895 1.00 45.44 C ATOM 642 CG1 VAL A 40 -6.627 -3.039 -15.923 1.00 54.25 C ATOM 643 CG2 VAL A 40 -4.577 -4.386 -15.473 1.00 3.13 C ATOM 0 H VAL A 40 -4.752 -3.043 -12.525 1.00 21.40 H new ATOM 0 HA VAL A 40 -3.977 -1.935 -15.097 1.00 75.04 H new ATOM 0 HB VAL A 40 -6.063 -3.811 -14.032 1.00 45.44 H new ATOM 0 HG11 VAL A 40 -7.134 -3.952 -16.235 1.00 54.25 H new ATOM 0 HG12 VAL A 40 -7.351 -2.354 -15.481 1.00 54.25 H new ATOM 0 HG13 VAL A 40 -6.163 -2.567 -16.789 1.00 54.25 H new ATOM 0 HG21 VAL A 40 -5.120 -5.267 -15.815 1.00 3.13 H new ATOM 0 HG22 VAL A 40 -4.047 -3.937 -16.313 1.00 3.13 H new ATOM 0 HG23 VAL A 40 -3.860 -4.678 -14.706 1.00 3.13 H new ATOM 653 N VAL A 41 -6.414 -0.618 -13.345 1.00 22.43 N ATOM 654 CA VAL A 41 -7.261 0.574 -13.321 1.00 60.44 C ATOM 655 C VAL A 41 -6.400 1.829 -13.377 1.00 53.31 C ATOM 656 O VAL A 41 -6.692 2.744 -14.148 1.00 54.12 O ATOM 657 CB VAL A 41 -8.220 0.640 -12.107 1.00 44.52 C ATOM 658 CG1 VAL A 41 -9.193 -0.528 -12.135 1.00 31.53 C ATOM 659 CG2 VAL A 41 -7.463 0.682 -10.786 1.00 23.55 C ATOM 0 H VAL A 41 -6.427 -1.180 -12.494 1.00 22.43 H new ATOM 0 HA VAL A 41 -7.896 0.512 -14.205 1.00 60.44 H new ATOM 0 HB VAL A 41 -8.785 1.569 -12.184 1.00 44.52 H new ATOM 0 HG11 VAL A 41 -9.860 -0.467 -11.275 1.00 31.53 H new ATOM 0 HG12 VAL A 41 -9.780 -0.491 -13.053 1.00 31.53 H new ATOM 0 HG13 VAL A 41 -8.638 -1.465 -12.097 1.00 31.53 H new ATOM 0 HG21 VAL A 41 -8.174 0.728 -9.961 1.00 23.55 H new ATOM 0 HG22 VAL A 41 -6.851 -0.215 -10.689 1.00 23.55 H new ATOM 0 HG23 VAL A 41 -6.822 1.563 -10.762 1.00 23.55 H new ATOM 669 N ASP A 42 -5.330 1.852 -12.582 1.00 40.51 N ATOM 670 CA ASP A 42 -4.348 2.932 -12.640 1.00 34.01 C ATOM 671 C ASP A 42 -3.246 2.660 -11.641 1.00 53.24 C ATOM 672 O ASP A 42 -3.500 2.577 -10.438 1.00 65.33 O ATOM 673 CB ASP A 42 -4.982 4.286 -12.343 1.00 3.25 C ATOM 674 CG ASP A 42 -4.167 5.430 -12.915 1.00 61.03 C ATOM 675 OD1 ASP A 42 -3.243 5.164 -13.716 1.00 63.11 O ATOM 676 OD2 ASP A 42 -4.463 6.600 -12.598 1.00 4.54 O ATOM 0 H ASP A 42 -5.122 1.133 -11.889 1.00 40.51 H new ATOM 0 HA ASP A 42 -3.942 2.967 -13.651 1.00 34.01 H new ATOM 0 HB2 ASP A 42 -5.989 4.314 -12.759 1.00 3.25 H new ATOM 0 HB3 ASP A 42 -5.079 4.413 -11.265 1.00 3.25 H new ATOM 681 N GLN A 43 -2.028 2.529 -12.136 1.00 44.42 N ATOM 682 CA GLN A 43 -0.932 2.037 -11.315 1.00 30.10 C ATOM 683 C GLN A 43 0.372 2.050 -12.098 1.00 2.50 C ATOM 684 O GLN A 43 1.242 2.894 -11.894 1.00 65.53 O ATOM 685 CB GLN A 43 -1.256 0.599 -10.921 1.00 0.30 C ATOM 686 CG GLN A 43 -0.976 0.220 -9.484 1.00 52.12 C ATOM 687 CD GLN A 43 0.493 0.306 -9.116 1.00 15.02 C ATOM 688 OE1 GLN A 43 0.975 1.340 -8.659 1.00 62.00 O ATOM 689 NE2 GLN A 43 1.214 -0.784 -9.314 1.00 25.35 N ATOM 0 H GLN A 43 -1.772 2.755 -13.097 1.00 44.42 H new ATOM 0 HA GLN A 43 -0.816 2.674 -10.438 1.00 30.10 H new ATOM 0 HB2 GLN A 43 -2.312 0.418 -11.123 1.00 0.30 H new ATOM 0 HB3 GLN A 43 -0.688 -0.070 -11.568 1.00 0.30 H new ATOM 0 HG2 GLN A 43 -1.547 0.874 -8.825 1.00 52.12 H new ATOM 0 HG3 GLN A 43 -1.329 -0.796 -9.308 1.00 52.12 H new ATOM 0 HE21 GLN A 43 0.776 -1.623 -9.695 1.00 25.35 H new ATOM 0 HE22 GLN A 43 2.208 -0.786 -9.085 1.00 25.35 H new ATOM 698 N ASP A 44 0.469 1.105 -13.021 1.00 33.35 N ATOM 699 CA ASP A 44 1.693 0.856 -13.770 1.00 11.23 C ATOM 700 C ASP A 44 1.694 1.567 -15.131 1.00 71.10 C ATOM 701 O ASP A 44 2.630 2.307 -15.433 1.00 40.24 O ATOM 702 CB ASP A 44 1.878 -0.658 -13.944 1.00 63.52 C ATOM 703 CG ASP A 44 3.046 -1.023 -14.835 1.00 60.44 C ATOM 704 OD1 ASP A 44 4.179 -1.115 -14.330 1.00 73.15 O ATOM 705 OD2 ASP A 44 2.832 -1.252 -16.049 1.00 74.42 O ATOM 0 H ASP A 44 -0.302 0.486 -13.273 1.00 33.35 H new ATOM 0 HA ASP A 44 2.530 1.266 -13.205 1.00 11.23 H new ATOM 0 HB2 ASP A 44 2.022 -1.114 -12.964 1.00 63.52 H new ATOM 0 HB3 ASP A 44 0.965 -1.082 -14.362 1.00 63.52 H new ATOM 710 N PRO A 45 0.653 1.382 -15.975 1.00 70.31 N ATOM 711 CA PRO A 45 0.625 1.969 -17.323 1.00 34.14 C ATOM 712 C PRO A 45 0.236 3.451 -17.332 1.00 10.14 C ATOM 713 O PRO A 45 -0.500 3.901 -18.210 1.00 1.31 O ATOM 714 CB PRO A 45 -0.434 1.132 -18.046 1.00 2.01 C ATOM 715 CG PRO A 45 -1.392 0.732 -16.982 1.00 74.34 C ATOM 716 CD PRO A 45 -0.570 0.590 -15.703 1.00 71.32 C ATOM 0 HA PRO A 45 1.610 1.946 -17.789 1.00 34.14 H new ATOM 0 HB2 PRO A 45 -0.929 1.709 -18.827 1.00 2.01 H new ATOM 0 HB3 PRO A 45 0.011 0.260 -18.526 1.00 2.01 H new ATOM 0 HG2 PRO A 45 -2.175 1.481 -16.861 1.00 74.34 H new ATOM 0 HG3 PRO A 45 -1.885 -0.207 -17.234 1.00 74.34 H new ATOM 0 HD2 PRO A 45 -1.110 0.973 -14.837 1.00 71.32 H new ATOM 0 HD3 PRO A 45 -0.332 -0.453 -15.495 1.00 71.32 H new ATOM 724 N GLY A 46 0.751 4.214 -16.380 1.00 21.44 N ATOM 725 CA GLY A 46 0.444 5.628 -16.331 1.00 63.10 C ATOM 726 C GLY A 46 1.371 6.394 -15.412 1.00 72.34 C ATOM 727 O GLY A 46 2.104 5.795 -14.624 1.00 65.13 O ATOM 0 H GLY A 46 1.373 3.881 -15.643 1.00 21.44 H new ATOM 0 HA2 GLY A 46 0.509 6.045 -17.336 1.00 63.10 H new ATOM 0 HA3 GLY A 46 -0.585 5.761 -15.996 1.00 63.10 H new ATOM 731 N GLN A 47 1.350 7.715 -15.515 1.00 12.52 N ATOM 732 CA GLN A 47 2.155 8.562 -14.651 1.00 54.30 C ATOM 733 C GLN A 47 1.281 9.109 -13.528 1.00 62.14 C ATOM 734 O GLN A 47 0.946 10.291 -13.495 1.00 60.50 O ATOM 735 CB GLN A 47 2.781 9.706 -15.453 1.00 2.13 C ATOM 736 CG GLN A 47 3.938 10.393 -14.745 1.00 72.31 C ATOM 737 CD GLN A 47 5.124 9.468 -14.545 1.00 24.14 C ATOM 738 OE1 GLN A 47 5.997 9.370 -15.407 1.00 64.43 O ATOM 739 NE2 GLN A 47 5.170 8.788 -13.408 1.00 52.34 N ATOM 0 H GLN A 47 0.781 8.224 -16.192 1.00 12.52 H new ATOM 0 HA GLN A 47 2.965 7.972 -14.221 1.00 54.30 H new ATOM 0 HB2 GLN A 47 3.132 9.317 -16.409 1.00 2.13 H new ATOM 0 HB3 GLN A 47 2.012 10.446 -15.673 1.00 2.13 H new ATOM 0 HG2 GLN A 47 4.251 11.261 -15.325 1.00 72.31 H new ATOM 0 HG3 GLN A 47 3.601 10.762 -13.776 1.00 72.31 H new ATOM 0 HE21 GLN A 47 4.427 8.897 -12.718 1.00 52.34 H new ATOM 0 HE22 GLN A 47 5.949 8.156 -13.223 1.00 52.34 H new ATOM 748 N VAL A 48 0.898 8.222 -12.625 1.00 73.04 N ATOM 749 CA VAL A 48 -0.050 8.551 -11.570 1.00 42.24 C ATOM 750 C VAL A 48 0.662 8.935 -10.270 1.00 71.12 C ATOM 751 O VAL A 48 1.708 8.379 -9.934 1.00 44.20 O ATOM 752 CB VAL A 48 -1.014 7.359 -11.328 1.00 3.02 C ATOM 753 CG1 VAL A 48 -0.241 6.082 -11.042 1.00 35.44 C ATOM 754 CG2 VAL A 48 -1.998 7.660 -10.204 1.00 31.05 C ATOM 0 H VAL A 48 1.232 7.259 -12.601 1.00 73.04 H new ATOM 0 HA VAL A 48 -0.626 9.417 -11.897 1.00 42.24 H new ATOM 0 HB VAL A 48 -1.589 7.210 -12.242 1.00 3.02 H new ATOM 0 HG11 VAL A 48 -0.940 5.263 -10.876 1.00 35.44 H new ATOM 0 HG12 VAL A 48 0.399 5.846 -11.892 1.00 35.44 H new ATOM 0 HG13 VAL A 48 0.373 6.220 -10.152 1.00 35.44 H new ATOM 0 HG21 VAL A 48 -2.659 6.805 -10.060 1.00 31.05 H new ATOM 0 HG22 VAL A 48 -1.449 7.854 -9.282 1.00 31.05 H new ATOM 0 HG23 VAL A 48 -2.591 8.537 -10.464 1.00 31.05 H new ATOM 764 N GLU A 49 0.100 9.918 -9.570 1.00 5.12 N ATOM 765 CA GLU A 49 0.598 10.333 -8.266 1.00 64.41 C ATOM 766 C GLU A 49 -0.368 9.856 -7.190 1.00 73.25 C ATOM 767 O GLU A 49 -1.476 10.383 -7.059 1.00 3.15 O ATOM 768 CB GLU A 49 0.738 11.859 -8.206 1.00 53.13 C ATOM 769 CG GLU A 49 1.287 12.378 -6.884 1.00 41.32 C ATOM 770 CD GLU A 49 1.306 13.891 -6.809 1.00 64.01 C ATOM 771 OE1 GLU A 49 2.240 14.513 -7.361 1.00 2.30 O ATOM 772 OE2 GLU A 49 0.389 14.471 -6.190 1.00 21.05 O ATOM 0 H GLU A 49 -0.711 10.446 -9.892 1.00 5.12 H new ATOM 0 HA GLU A 49 1.581 9.892 -8.100 1.00 64.41 H new ATOM 0 HB2 GLU A 49 1.393 12.186 -9.013 1.00 53.13 H new ATOM 0 HB3 GLU A 49 -0.238 12.311 -8.385 1.00 53.13 H new ATOM 0 HG2 GLU A 49 0.683 11.986 -6.066 1.00 41.32 H new ATOM 0 HG3 GLU A 49 2.299 11.999 -6.742 1.00 41.32 H new ATOM 779 N TRP A 50 0.036 8.853 -6.429 1.00 4.34 N ATOM 780 CA TRP A 50 -0.856 8.266 -5.443 1.00 52.35 C ATOM 781 C TRP A 50 -0.082 7.494 -4.390 1.00 10.44 C ATOM 782 O TRP A 50 1.150 7.506 -4.375 1.00 72.10 O ATOM 783 CB TRP A 50 -1.886 7.359 -6.126 1.00 53.32 C ATOM 784 CG TRP A 50 -1.362 6.054 -6.640 1.00 3.31 C ATOM 785 CD1 TRP A 50 -0.464 5.861 -7.645 1.00 44.51 C ATOM 786 CD2 TRP A 50 -1.745 4.755 -6.189 1.00 23.33 C ATOM 787 NE1 TRP A 50 -0.256 4.515 -7.837 1.00 44.15 N ATOM 788 CE2 TRP A 50 -1.035 3.817 -6.956 1.00 32.43 C ATOM 789 CE3 TRP A 50 -2.624 4.293 -5.205 1.00 41.04 C ATOM 790 CZ2 TRP A 50 -1.173 2.447 -6.767 1.00 11.53 C ATOM 791 CZ3 TRP A 50 -2.761 2.934 -5.021 1.00 60.03 C ATOM 792 CH2 TRP A 50 -2.040 2.025 -5.800 1.00 21.43 C ATOM 0 H TRP A 50 0.964 8.432 -6.473 1.00 4.34 H new ATOM 0 HA TRP A 50 -1.383 9.078 -4.941 1.00 52.35 H new ATOM 0 HB2 TRP A 50 -2.688 7.154 -5.418 1.00 53.32 H new ATOM 0 HB3 TRP A 50 -2.328 7.905 -6.959 1.00 53.32 H new ATOM 0 HD1 TRP A 50 0.014 6.649 -8.208 1.00 44.51 H new ATOM 0 HE1 TRP A 50 0.376 4.104 -8.524 1.00 44.15 H new ATOM 0 HE3 TRP A 50 -3.186 4.989 -4.600 1.00 41.04 H new ATOM 0 HZ2 TRP A 50 -0.614 1.741 -7.364 1.00 11.53 H new ATOM 0 HZ3 TRP A 50 -3.436 2.566 -4.263 1.00 60.03 H new ATOM 0 HH2 TRP A 50 -2.171 0.966 -5.634 1.00 21.43 H new ATOM 803 N PHE A 51 -0.806 6.832 -3.496 1.00 62.23 N ATOM 804 CA PHE A 51 -0.175 6.072 -2.438 1.00 65.15 C ATOM 805 C PHE A 51 -1.189 5.272 -1.637 1.00 32.10 C ATOM 806 O PHE A 51 -2.397 5.461 -1.777 1.00 40.23 O ATOM 807 CB PHE A 51 0.591 7.010 -1.509 1.00 43.33 C ATOM 808 CG PHE A 51 -0.270 7.942 -0.705 1.00 74.42 C ATOM 809 CD1 PHE A 51 -0.666 9.164 -1.222 1.00 5.51 C ATOM 810 CD2 PHE A 51 -0.663 7.599 0.576 1.00 31.11 C ATOM 811 CE1 PHE A 51 -1.442 10.024 -0.473 1.00 42.22 C ATOM 812 CE2 PHE A 51 -1.433 8.454 1.329 1.00 1.43 C ATOM 813 CZ PHE A 51 -1.826 9.669 0.805 1.00 14.35 C ATOM 0 H PHE A 51 -1.826 6.809 -3.487 1.00 62.23 H new ATOM 0 HA PHE A 51 0.515 5.368 -2.903 1.00 65.15 H new ATOM 0 HB2 PHE A 51 1.191 6.410 -0.824 1.00 43.33 H new ATOM 0 HB3 PHE A 51 1.285 7.602 -2.105 1.00 43.33 H new ATOM 0 HD1 PHE A 51 -0.365 9.446 -2.220 1.00 5.51 H new ATOM 0 HD2 PHE A 51 -0.361 6.648 0.990 1.00 31.11 H new ATOM 0 HE1 PHE A 51 -1.749 10.974 -0.886 1.00 42.22 H new ATOM 0 HE2 PHE A 51 -1.730 8.175 2.329 1.00 1.43 H new ATOM 0 HZ PHE A 51 -2.433 10.341 1.394 1.00 14.35 H new ATOM 823 N VAL A 52 -0.677 4.375 -0.801 1.00 43.33 N ATOM 824 CA VAL A 52 -1.511 3.618 0.120 1.00 4.24 C ATOM 825 C VAL A 52 -1.083 3.912 1.559 1.00 65.44 C ATOM 826 O VAL A 52 0.096 3.798 1.907 1.00 55.20 O ATOM 827 CB VAL A 52 -1.461 2.086 -0.150 1.00 10.43 C ATOM 828 CG1 VAL A 52 -1.902 1.757 -1.565 1.00 10.33 C ATOM 829 CG2 VAL A 52 -0.078 1.521 0.089 1.00 20.33 C ATOM 0 H VAL A 52 0.317 4.155 -0.744 1.00 43.33 H new ATOM 0 HA VAL A 52 -2.542 3.935 -0.036 1.00 4.24 H new ATOM 0 HB VAL A 52 -2.154 1.624 0.553 1.00 10.43 H new ATOM 0 HG11 VAL A 52 -1.855 0.679 -1.719 1.00 10.33 H new ATOM 0 HG12 VAL A 52 -2.925 2.101 -1.716 1.00 10.33 H new ATOM 0 HG13 VAL A 52 -1.243 2.255 -2.276 1.00 10.33 H new ATOM 0 HG21 VAL A 52 -0.083 0.449 -0.110 1.00 20.33 H new ATOM 0 HG22 VAL A 52 0.635 2.010 -0.575 1.00 20.33 H new ATOM 0 HG23 VAL A 52 0.213 1.696 1.125 1.00 20.33 H new ATOM 839 N LEU A 53 -2.028 4.329 2.388 1.00 53.14 N ATOM 840 CA LEU A 53 -1.729 4.637 3.780 1.00 12.22 C ATOM 841 C LEU A 53 -2.704 3.919 4.707 1.00 32.12 C ATOM 842 O LEU A 53 -3.872 3.758 4.375 1.00 65.35 O ATOM 843 CB LEU A 53 -1.703 6.169 4.030 1.00 13.23 C ATOM 844 CG LEU A 53 -3.040 6.950 4.062 1.00 50.30 C ATOM 845 CD1 LEU A 53 -3.990 6.518 2.959 1.00 31.23 C ATOM 846 CD2 LEU A 53 -3.706 6.853 5.425 1.00 34.23 C ATOM 0 H LEU A 53 -3.004 4.462 2.124 1.00 53.14 H new ATOM 0 HA LEU A 53 -0.728 4.269 4.006 1.00 12.22 H new ATOM 0 HB2 LEU A 53 -1.201 6.338 4.983 1.00 13.23 H new ATOM 0 HB3 LEU A 53 -1.079 6.617 3.257 1.00 13.23 H new ATOM 0 HG LEU A 53 -2.794 7.996 3.878 1.00 50.30 H new ATOM 0 HD11 LEU A 53 -4.912 7.096 3.026 1.00 31.23 H new ATOM 0 HD12 LEU A 53 -3.524 6.690 1.989 1.00 31.23 H new ATOM 0 HD13 LEU A 53 -4.218 5.458 3.069 1.00 31.23 H new ATOM 0 HD21 LEU A 53 -4.642 7.412 5.413 1.00 34.23 H new ATOM 0 HD22 LEU A 53 -3.911 5.808 5.656 1.00 34.23 H new ATOM 0 HD23 LEU A 53 -3.044 7.270 6.184 1.00 34.23 H new ATOM 858 N ASN A 54 -2.189 3.467 5.847 1.00 33.15 N ATOM 859 CA ASN A 54 -2.968 2.702 6.840 1.00 35.43 C ATOM 860 C ASN A 54 -4.388 3.245 7.061 1.00 32.34 C ATOM 861 O ASN A 54 -4.613 4.452 7.075 1.00 51.04 O ATOM 862 CB ASN A 54 -2.214 2.657 8.181 1.00 64.21 C ATOM 863 CG ASN A 54 -2.168 3.991 8.924 1.00 23.43 C ATOM 864 OD1 ASN A 54 -2.088 4.021 10.144 1.00 33.12 O ATOM 865 ND2 ASN A 54 -2.215 5.100 8.206 1.00 73.43 N ATOM 0 H ASN A 54 -1.217 3.617 6.117 1.00 33.15 H new ATOM 0 HA ASN A 54 -3.079 1.697 6.432 1.00 35.43 H new ATOM 0 HB2 ASN A 54 -2.685 1.913 8.824 1.00 64.21 H new ATOM 0 HB3 ASN A 54 -1.193 2.321 7.999 1.00 64.21 H new ATOM 0 HD21 ASN A 54 -2.185 6.009 8.668 1.00 73.43 H new ATOM 0 HD22 ASN A 54 -2.282 5.047 7.190 1.00 73.43 H new ATOM 872 N ALA A 55 -5.349 2.339 7.216 1.00 13.21 N ATOM 873 CA ALA A 55 -6.723 2.730 7.501 1.00 52.12 C ATOM 874 C ALA A 55 -6.890 3.058 8.981 1.00 24.31 C ATOM 875 O ALA A 55 -6.882 4.226 9.374 1.00 75.53 O ATOM 876 CB ALA A 55 -7.694 1.637 7.076 1.00 35.41 C ATOM 0 H ALA A 55 -5.201 1.332 7.149 1.00 13.21 H new ATOM 0 HA ALA A 55 -6.951 3.627 6.925 1.00 52.12 H new ATOM 0 HB1 ALA A 55 -8.714 1.950 7.298 1.00 35.41 H new ATOM 0 HB2 ALA A 55 -7.594 1.458 6.005 1.00 35.41 H new ATOM 0 HB3 ALA A 55 -7.470 0.719 7.620 1.00 35.41 H new ATOM 882 N GLU A 56 -7.028 2.026 9.806 1.00 21.13 N ATOM 883 CA GLU A 56 -7.085 2.210 11.249 1.00 51.52 C ATOM 884 C GLU A 56 -6.268 1.124 11.939 1.00 63.41 C ATOM 885 O GLU A 56 -5.375 1.419 12.731 1.00 65.05 O ATOM 886 CB GLU A 56 -8.536 2.182 11.740 1.00 54.04 C ATOM 887 CG GLU A 56 -8.845 3.200 12.836 1.00 14.14 C ATOM 888 CD GLU A 56 -8.009 3.015 14.088 1.00 71.13 C ATOM 889 OE1 GLU A 56 -8.255 2.045 14.838 1.00 24.34 O ATOM 890 OE2 GLU A 56 -7.110 3.845 14.331 1.00 4.31 O ATOM 0 H GLU A 56 -7.102 1.056 9.500 1.00 21.13 H new ATOM 0 HA GLU A 56 -6.663 3.184 11.497 1.00 51.52 H new ATOM 0 HB2 GLU A 56 -9.198 2.364 10.893 1.00 54.04 H new ATOM 0 HB3 GLU A 56 -8.763 1.183 12.113 1.00 54.04 H new ATOM 0 HG2 GLU A 56 -8.681 4.204 12.445 1.00 14.14 H new ATOM 0 HG3 GLU A 56 -9.900 3.129 13.100 1.00 14.14 H new ATOM 897 N SER A 57 -6.555 -0.129 11.611 1.00 61.22 N ATOM 898 CA SER A 57 -5.861 -1.251 12.224 1.00 64.23 C ATOM 899 C SER A 57 -4.944 -1.925 11.210 1.00 51.34 C ATOM 900 O SER A 57 -3.721 -1.860 11.340 1.00 65.35 O ATOM 901 CB SER A 57 -6.871 -2.266 12.765 1.00 51.00 C ATOM 902 OG SER A 57 -7.986 -1.612 13.351 1.00 32.44 O ATOM 0 H SER A 57 -7.262 -0.392 10.925 1.00 61.22 H new ATOM 0 HA SER A 57 -5.258 -0.875 13.050 1.00 64.23 H new ATOM 0 HB2 SER A 57 -7.209 -2.914 11.957 1.00 51.00 H new ATOM 0 HB3 SER A 57 -6.389 -2.905 13.505 1.00 51.00 H new ATOM 0 HG SER A 57 -8.618 -2.281 13.688 1.00 32.44 H new ATOM 908 N ASN A 58 -5.558 -2.536 10.185 1.00 71.30 N ATOM 909 CA ASN A 58 -4.853 -3.311 9.152 1.00 50.34 C ATOM 910 C ASN A 58 -3.772 -4.200 9.752 1.00 31.20 C ATOM 911 O ASN A 58 -2.604 -4.144 9.373 1.00 12.24 O ATOM 912 CB ASN A 58 -4.303 -2.429 8.006 1.00 10.04 C ATOM 913 CG ASN A 58 -3.549 -1.191 8.466 1.00 33.10 C ATOM 914 OD1 ASN A 58 -2.322 -1.189 8.586 1.00 45.40 O ATOM 915 ND2 ASN A 58 -4.285 -0.118 8.716 1.00 73.35 N ATOM 0 H ASN A 58 -6.568 -2.506 10.049 1.00 71.30 H new ATOM 0 HA ASN A 58 -5.599 -3.964 8.700 1.00 50.34 H new ATOM 0 HB2 ASN A 58 -3.640 -3.033 7.387 1.00 10.04 H new ATOM 0 HB3 ASN A 58 -5.134 -2.118 7.374 1.00 10.04 H new ATOM 0 HD21 ASN A 58 -3.838 0.748 9.019 1.00 73.35 H new ATOM 0 HD22 ASN A 58 -5.298 -0.158 8.606 1.00 73.35 H new ATOM 922 N VAL A 59 -4.194 -5.035 10.692 1.00 24.33 N ATOM 923 CA VAL A 59 -3.298 -5.964 11.363 1.00 11.40 C ATOM 924 C VAL A 59 -3.714 -7.397 11.064 1.00 43.32 C ATOM 925 O VAL A 59 -2.885 -8.265 10.798 1.00 43.34 O ATOM 926 CB VAL A 59 -3.354 -5.781 12.889 1.00 11.42 C ATOM 927 CG1 VAL A 59 -2.248 -6.561 13.580 1.00 23.30 C ATOM 928 CG2 VAL A 59 -3.309 -4.311 13.284 1.00 44.31 C ATOM 0 H VAL A 59 -5.162 -5.087 11.009 1.00 24.33 H new ATOM 0 HA VAL A 59 -2.290 -5.764 10.999 1.00 11.40 H new ATOM 0 HB VAL A 59 -4.310 -6.182 13.224 1.00 11.42 H new ATOM 0 HG11 VAL A 59 -2.315 -6.411 14.657 1.00 23.30 H new ATOM 0 HG12 VAL A 59 -2.355 -7.622 13.354 1.00 23.30 H new ATOM 0 HG13 VAL A 59 -1.279 -6.211 13.225 1.00 23.30 H new ATOM 0 HG21 VAL A 59 -3.351 -4.225 14.370 1.00 44.31 H new ATOM 0 HG22 VAL A 59 -2.384 -3.865 12.920 1.00 44.31 H new ATOM 0 HG23 VAL A 59 -4.160 -3.790 12.846 1.00 44.31 H new ATOM 938 N GLU A 60 -5.020 -7.630 11.105 1.00 44.13 N ATOM 939 CA GLU A 60 -5.576 -8.962 10.977 1.00 31.54 C ATOM 940 C GLU A 60 -5.981 -9.174 9.535 1.00 40.22 C ATOM 941 O GLU A 60 -6.436 -10.243 9.136 1.00 23.11 O ATOM 942 CB GLU A 60 -6.803 -9.107 11.887 1.00 13.32 C ATOM 943 CG GLU A 60 -6.735 -8.278 13.166 1.00 3.23 C ATOM 944 CD GLU A 60 -7.306 -6.875 13.001 1.00 74.31 C ATOM 945 OE1 GLU A 60 -6.840 -6.123 12.114 1.00 2.23 O ATOM 946 OE2 GLU A 60 -8.221 -6.514 13.764 1.00 64.21 O ATOM 0 H GLU A 60 -5.720 -6.898 11.228 1.00 44.13 H new ATOM 0 HA GLU A 60 -4.835 -9.705 11.272 1.00 31.54 H new ATOM 0 HB2 GLU A 60 -7.693 -8.818 11.327 1.00 13.32 H new ATOM 0 HB3 GLU A 60 -6.921 -10.157 12.154 1.00 13.32 H new ATOM 0 HG2 GLU A 60 -7.280 -8.795 13.956 1.00 3.23 H new ATOM 0 HG3 GLU A 60 -5.697 -8.205 13.490 1.00 3.23 H new ATOM 953 N VAL A 61 -5.777 -8.125 8.767 1.00 32.24 N ATOM 954 CA VAL A 61 -6.253 -8.046 7.407 1.00 61.13 C ATOM 955 C VAL A 61 -5.326 -8.781 6.455 1.00 4.42 C ATOM 956 O VAL A 61 -5.737 -9.244 5.389 1.00 43.44 O ATOM 957 CB VAL A 61 -6.382 -6.566 6.980 1.00 42.13 C ATOM 958 CG1 VAL A 61 -7.082 -5.774 8.071 1.00 33.22 C ATOM 959 CG2 VAL A 61 -5.027 -5.949 6.656 1.00 33.51 C ATOM 0 H VAL A 61 -5.270 -7.295 9.075 1.00 32.24 H new ATOM 0 HA VAL A 61 -7.232 -8.524 7.362 1.00 61.13 H new ATOM 0 HB VAL A 61 -6.979 -6.530 6.069 1.00 42.13 H new ATOM 0 HG11 VAL A 61 -7.170 -4.732 7.764 1.00 33.22 H new ATOM 0 HG12 VAL A 61 -8.076 -6.188 8.240 1.00 33.22 H new ATOM 0 HG13 VAL A 61 -6.503 -5.833 8.992 1.00 33.22 H new ATOM 0 HG21 VAL A 61 -5.162 -4.909 6.360 1.00 33.51 H new ATOM 0 HG22 VAL A 61 -4.386 -5.996 7.536 1.00 33.51 H new ATOM 0 HG23 VAL A 61 -4.562 -6.501 5.839 1.00 33.51 H new ATOM 969 N ASP A 62 -4.089 -8.931 6.872 1.00 31.35 N ATOM 970 CA ASP A 62 -3.044 -9.360 5.976 1.00 34.13 C ATOM 971 C ASP A 62 -2.281 -10.533 6.578 1.00 34.55 C ATOM 972 O ASP A 62 -1.910 -10.494 7.751 1.00 73.44 O ATOM 973 CB ASP A 62 -2.121 -8.172 5.731 1.00 20.45 C ATOM 974 CG ASP A 62 -1.155 -8.394 4.579 1.00 22.43 C ATOM 975 OD1 ASP A 62 -0.609 -9.510 4.441 1.00 33.20 O ATOM 976 OD2 ASP A 62 -0.963 -7.454 3.780 1.00 51.34 O ATOM 0 H ASP A 62 -3.783 -8.761 7.830 1.00 31.35 H new ATOM 0 HA ASP A 62 -3.466 -9.699 5.030 1.00 34.13 H new ATOM 0 HB2 ASP A 62 -2.724 -7.287 5.526 1.00 20.45 H new ATOM 0 HB3 ASP A 62 -1.553 -7.967 6.639 1.00 20.45 H new ATOM 981 N LEU A 63 -2.074 -11.589 5.791 1.00 40.04 N ATOM 982 CA LEU A 63 -1.352 -12.761 6.281 1.00 60.41 C ATOM 983 C LEU A 63 -0.064 -12.968 5.484 1.00 3.41 C ATOM 984 O LEU A 63 1.018 -13.114 6.051 1.00 4.03 O ATOM 985 CB LEU A 63 -2.218 -14.027 6.197 1.00 4.44 C ATOM 986 CG LEU A 63 -3.643 -13.913 6.763 1.00 54.43 C ATOM 987 CD1 LEU A 63 -4.274 -15.291 6.871 1.00 5.33 C ATOM 988 CD2 LEU A 63 -3.657 -13.221 8.118 1.00 24.13 C ATOM 0 H LEU A 63 -2.392 -11.657 4.824 1.00 40.04 H new ATOM 0 HA LEU A 63 -1.105 -12.580 7.327 1.00 60.41 H new ATOM 0 HB2 LEU A 63 -2.288 -14.326 5.151 1.00 4.44 H new ATOM 0 HB3 LEU A 63 -1.703 -14.830 6.724 1.00 4.44 H new ATOM 0 HG LEU A 63 -4.226 -13.302 6.074 1.00 54.43 H new ATOM 0 HD11 LEU A 63 -5.283 -15.199 7.273 1.00 5.33 H new ATOM 0 HD12 LEU A 63 -4.317 -15.750 5.883 1.00 5.33 H new ATOM 0 HD13 LEU A 63 -3.675 -15.915 7.535 1.00 5.33 H new ATOM 0 HD21 LEU A 63 -4.682 -13.160 8.485 1.00 24.13 H new ATOM 0 HD22 LEU A 63 -3.053 -13.791 8.824 1.00 24.13 H new ATOM 0 HD23 LEU A 63 -3.247 -12.216 8.018 1.00 24.13 H new ATOM 1000 N THR A 64 -0.197 -13.011 4.165 1.00 70.21 N ATOM 1001 CA THR A 64 0.952 -13.132 3.271 1.00 5.13 C ATOM 1002 C THR A 64 0.755 -12.193 2.079 1.00 14.24 C ATOM 1003 O THR A 64 1.469 -12.237 1.057 1.00 22.14 O ATOM 1004 CB THR A 64 1.130 -14.595 2.798 1.00 14.54 C ATOM 1005 OG1 THR A 64 1.060 -15.470 3.931 1.00 24.33 O ATOM 1006 CG2 THR A 64 2.468 -14.801 2.099 1.00 42.32 C ATOM 0 H THR A 64 -1.096 -12.964 3.685 1.00 70.21 H new ATOM 0 HA THR A 64 1.859 -12.850 3.806 1.00 5.13 H new ATOM 0 HB THR A 64 0.334 -14.817 2.088 1.00 14.54 H new ATOM 0 HG1 THR A 64 0.285 -16.063 3.839 1.00 24.33 H new ATOM 0 HG21 THR A 64 2.556 -15.840 1.781 1.00 42.32 H new ATOM 0 HG22 THR A 64 2.527 -14.149 1.228 1.00 42.32 H new ATOM 0 HG23 THR A 64 3.279 -14.562 2.787 1.00 42.32 H new ATOM 1014 N ALA A 65 -0.211 -11.299 2.240 1.00 40.00 N ATOM 1015 CA ALA A 65 -0.514 -10.338 1.213 1.00 43.01 C ATOM 1016 C ALA A 65 0.655 -9.391 1.057 1.00 63.33 C ATOM 1017 O ALA A 65 0.977 -9.006 -0.057 1.00 70.41 O ATOM 1018 CB ALA A 65 -1.794 -9.580 1.519 1.00 33.45 C ATOM 0 H ALA A 65 -0.792 -11.227 3.075 1.00 40.00 H new ATOM 0 HA ALA A 65 -0.677 -10.867 0.274 1.00 43.01 H new ATOM 0 HB1 ALA A 65 -1.992 -8.863 0.722 1.00 33.45 H new ATOM 0 HB2 ALA A 65 -2.625 -10.282 1.589 1.00 33.45 H new ATOM 0 HB3 ALA A 65 -1.686 -9.050 2.465 1.00 33.45 H new ATOM 1024 N LEU A 66 1.309 -9.039 2.170 1.00 45.00 N ATOM 1025 CA LEU A 66 2.500 -8.194 2.099 1.00 74.44 C ATOM 1026 C LEU A 66 3.557 -8.814 1.206 1.00 13.24 C ATOM 1027 O LEU A 66 4.323 -8.108 0.580 1.00 72.32 O ATOM 1028 CB LEU A 66 3.107 -7.826 3.483 1.00 23.15 C ATOM 1029 CG LEU A 66 3.597 -8.942 4.449 1.00 23.32 C ATOM 1030 CD1 LEU A 66 2.461 -9.845 4.896 1.00 32.31 C ATOM 1031 CD2 LEU A 66 4.725 -9.774 3.854 1.00 43.15 C ATOM 0 H LEU A 66 1.038 -9.321 3.112 1.00 45.00 H new ATOM 0 HA LEU A 66 2.159 -7.256 1.662 1.00 74.44 H new ATOM 0 HB2 LEU A 66 3.954 -7.165 3.298 1.00 23.15 H new ATOM 0 HB3 LEU A 66 2.358 -7.242 4.018 1.00 23.15 H new ATOM 0 HG LEU A 66 3.990 -8.425 5.324 1.00 23.32 H new ATOM 0 HD11 LEU A 66 2.848 -10.610 5.569 1.00 32.31 H new ATOM 0 HD12 LEU A 66 1.708 -9.252 5.415 1.00 32.31 H new ATOM 0 HD13 LEU A 66 2.011 -10.322 4.025 1.00 32.31 H new ATOM 0 HD21 LEU A 66 5.030 -10.538 4.569 1.00 43.15 H new ATOM 0 HD22 LEU A 66 4.380 -10.252 2.937 1.00 43.15 H new ATOM 0 HD23 LEU A 66 5.574 -9.128 3.629 1.00 43.15 H new ATOM 1043 N ASP A 67 3.591 -10.133 1.134 1.00 34.22 N ATOM 1044 CA ASP A 67 4.559 -10.793 0.284 1.00 32.22 C ATOM 1045 C ASP A 67 4.231 -10.468 -1.159 1.00 11.23 C ATOM 1046 O ASP A 67 4.977 -9.753 -1.837 1.00 3.04 O ATOM 1047 CB ASP A 67 4.557 -12.306 0.517 1.00 5.02 C ATOM 1048 CG ASP A 67 5.633 -13.026 -0.274 1.00 54.20 C ATOM 1049 OD1 ASP A 67 6.764 -13.174 0.247 1.00 1.14 O ATOM 1050 OD2 ASP A 67 5.355 -13.456 -1.412 1.00 65.53 O ATOM 0 H ASP A 67 2.969 -10.758 1.646 1.00 34.22 H new ATOM 0 HA ASP A 67 5.560 -10.434 0.524 1.00 32.22 H new ATOM 0 HB2 ASP A 67 4.699 -12.505 1.579 1.00 5.02 H new ATOM 0 HB3 ASP A 67 3.582 -12.709 0.245 1.00 5.02 H new ATOM 1055 N ALA A 68 3.068 -10.934 -1.598 1.00 60.34 N ATOM 1056 CA ALA A 68 2.647 -10.741 -2.984 1.00 13.31 C ATOM 1057 C ALA A 68 2.555 -9.256 -3.351 1.00 13.13 C ATOM 1058 O ALA A 68 3.163 -8.792 -4.337 1.00 61.21 O ATOM 1059 CB ALA A 68 1.314 -11.432 -3.228 1.00 3.51 C ATOM 0 H ALA A 68 2.402 -11.446 -1.020 1.00 60.34 H new ATOM 0 HA ALA A 68 3.406 -11.189 -3.626 1.00 13.31 H new ATOM 0 HB1 ALA A 68 1.010 -11.281 -4.264 1.00 3.51 H new ATOM 0 HB2 ALA A 68 1.416 -12.499 -3.031 1.00 3.51 H new ATOM 0 HB3 ALA A 68 0.559 -11.011 -2.564 1.00 3.51 H new ATOM 1065 N LEU A 69 1.826 -8.500 -2.540 1.00 23.55 N ATOM 1066 CA LEU A 69 1.518 -7.128 -2.881 1.00 12.22 C ATOM 1067 C LEU A 69 2.738 -6.233 -2.766 1.00 11.14 C ATOM 1068 O LEU A 69 2.865 -5.321 -3.554 1.00 10.52 O ATOM 1069 CB LEU A 69 0.320 -6.573 -2.071 1.00 3.12 C ATOM 1070 CG LEU A 69 0.553 -6.208 -0.593 1.00 44.33 C ATOM 1071 CD1 LEU A 69 1.209 -4.841 -0.448 1.00 63.51 C ATOM 1072 CD2 LEU A 69 -0.766 -6.229 0.164 1.00 21.04 C ATOM 0 H LEU A 69 1.442 -8.816 -1.649 1.00 23.55 H new ATOM 0 HA LEU A 69 1.213 -7.128 -3.927 1.00 12.22 H new ATOM 0 HB2 LEU A 69 -0.044 -5.681 -2.582 1.00 3.12 H new ATOM 0 HB3 LEU A 69 -0.480 -7.312 -2.110 1.00 3.12 H new ATOM 0 HG LEU A 69 1.229 -6.952 -0.171 1.00 44.33 H new ATOM 0 HD11 LEU A 69 1.357 -4.619 0.609 1.00 63.51 H new ATOM 0 HD12 LEU A 69 2.173 -4.844 -0.957 1.00 63.51 H new ATOM 0 HD13 LEU A 69 0.567 -4.080 -0.892 1.00 63.51 H new ATOM 0 HD21 LEU A 69 -0.590 -5.970 1.208 1.00 21.04 H new ATOM 0 HD22 LEU A 69 -1.451 -5.507 -0.279 1.00 21.04 H new ATOM 0 HD23 LEU A 69 -1.203 -7.226 0.106 1.00 21.04 H new ATOM 1084 N ASP A 70 3.646 -6.482 -1.819 1.00 55.45 N ATOM 1085 CA ASP A 70 4.800 -5.589 -1.674 1.00 62.41 C ATOM 1086 C ASP A 70 5.725 -5.742 -2.855 1.00 21.45 C ATOM 1087 O ASP A 70 6.256 -4.755 -3.354 1.00 42.15 O ATOM 1088 CB ASP A 70 5.598 -5.824 -0.399 1.00 31.13 C ATOM 1089 CG ASP A 70 6.396 -4.595 -0.008 1.00 34.32 C ATOM 1090 OD1 ASP A 70 5.774 -3.609 0.440 1.00 31.10 O ATOM 1091 OD2 ASP A 70 7.642 -4.600 -0.158 1.00 64.13 O ATOM 0 H ASP A 70 3.611 -7.263 -1.164 1.00 55.45 H new ATOM 0 HA ASP A 70 4.391 -4.580 -1.622 1.00 62.41 H new ATOM 0 HB2 ASP A 70 4.920 -6.092 0.411 1.00 31.13 H new ATOM 0 HB3 ASP A 70 6.274 -6.667 -0.542 1.00 31.13 H new ATOM 1096 N GLN A 71 5.911 -6.983 -3.310 1.00 11.53 N ATOM 1097 CA GLN A 71 6.696 -7.225 -4.514 1.00 12.22 C ATOM 1098 C GLN A 71 6.202 -6.347 -5.644 1.00 45.12 C ATOM 1099 O GLN A 71 6.960 -5.560 -6.199 1.00 55.53 O ATOM 1100 CB GLN A 71 6.614 -8.679 -4.952 1.00 24.12 C ATOM 1101 CG GLN A 71 7.233 -9.649 -3.978 1.00 5.13 C ATOM 1102 CD GLN A 71 6.826 -11.062 -4.297 1.00 35.55 C ATOM 1103 OE1 GLN A 71 7.517 -11.785 -5.014 1.00 61.30 O ATOM 1104 NE2 GLN A 71 5.672 -11.439 -3.798 1.00 42.32 N ATOM 0 H GLN A 71 5.534 -7.822 -2.868 1.00 11.53 H new ATOM 0 HA GLN A 71 7.734 -6.988 -4.279 1.00 12.22 H new ATOM 0 HB2 GLN A 71 5.567 -8.945 -5.098 1.00 24.12 H new ATOM 0 HB3 GLN A 71 7.108 -8.785 -5.918 1.00 24.12 H new ATOM 0 HG2 GLN A 71 8.319 -9.562 -4.013 1.00 5.13 H new ATOM 0 HG3 GLN A 71 6.925 -9.398 -2.963 1.00 5.13 H new ATOM 0 HE21 GLN A 71 5.138 -10.800 -3.209 1.00 42.32 H new ATOM 0 HE22 GLN A 71 5.309 -12.371 -4.000 1.00 42.32 H new ATOM 1113 N LEU A 72 4.915 -6.457 -5.964 1.00 71.04 N ATOM 1114 CA LEU A 72 4.357 -5.651 -7.043 1.00 23.42 C ATOM 1115 C LEU A 72 4.276 -4.177 -6.633 1.00 52.12 C ATOM 1116 O LEU A 72 4.321 -3.287 -7.473 1.00 1.11 O ATOM 1117 CB LEU A 72 2.991 -6.195 -7.493 1.00 63.34 C ATOM 1118 CG LEU A 72 1.894 -6.261 -6.427 1.00 22.03 C ATOM 1119 CD1 LEU A 72 1.147 -4.937 -6.325 1.00 41.20 C ATOM 1120 CD2 LEU A 72 0.935 -7.398 -6.738 1.00 11.21 C ATOM 0 H LEU A 72 4.253 -7.081 -5.503 1.00 71.04 H new ATOM 0 HA LEU A 72 5.027 -5.717 -7.900 1.00 23.42 H new ATOM 0 HB2 LEU A 72 2.631 -5.575 -8.314 1.00 63.34 H new ATOM 0 HB3 LEU A 72 3.139 -7.198 -7.892 1.00 63.34 H new ATOM 0 HG LEU A 72 2.363 -6.451 -5.461 1.00 22.03 H new ATOM 0 HD11 LEU A 72 0.374 -5.013 -5.560 1.00 41.20 H new ATOM 0 HD12 LEU A 72 1.846 -4.145 -6.057 1.00 41.20 H new ATOM 0 HD13 LEU A 72 0.686 -4.704 -7.285 1.00 41.20 H new ATOM 0 HD21 LEU A 72 0.158 -7.438 -5.975 1.00 11.21 H new ATOM 0 HD22 LEU A 72 0.478 -7.232 -7.713 1.00 11.21 H new ATOM 0 HD23 LEU A 72 1.481 -8.341 -6.749 1.00 11.21 H new ATOM 1132 N ARG A 73 4.173 -3.920 -5.337 1.00 5.33 N ATOM 1133 CA ARG A 73 4.140 -2.555 -4.842 1.00 33.23 C ATOM 1134 C ARG A 73 5.462 -1.873 -5.086 1.00 61.02 C ATOM 1135 O ARG A 73 5.549 -1.050 -5.969 1.00 2.31 O ATOM 1136 CB ARG A 73 3.786 -2.480 -3.356 1.00 41.11 C ATOM 1137 CG ARG A 73 2.290 -2.472 -3.083 1.00 61.40 C ATOM 1138 CD ARG A 73 1.615 -1.284 -3.746 1.00 74.21 C ATOM 1139 NE ARG A 73 2.238 -0.023 -3.353 1.00 10.22 N ATOM 1140 CZ ARG A 73 1.668 1.172 -3.490 1.00 4.03 C ATOM 1141 NH1 ARG A 73 0.452 1.275 -4.012 1.00 75.01 N ATOM 1142 NH2 ARG A 73 2.315 2.260 -3.111 1.00 63.04 N ATOM 0 H ARG A 73 4.111 -4.636 -4.614 1.00 5.33 H new ATOM 0 HA ARG A 73 3.354 -2.039 -5.394 1.00 33.23 H new ATOM 0 HB2 ARG A 73 4.236 -3.329 -2.841 1.00 41.11 H new ATOM 0 HB3 ARG A 73 4.229 -1.579 -2.931 1.00 41.11 H new ATOM 0 HG2 ARG A 73 1.846 -3.397 -3.451 1.00 61.40 H new ATOM 0 HG3 ARG A 73 2.114 -2.439 -2.008 1.00 61.40 H new ATOM 0 HD2 ARG A 73 1.666 -1.394 -4.829 1.00 74.21 H new ATOM 0 HD3 ARG A 73 0.559 -1.268 -3.477 1.00 74.21 H new ATOM 0 HE ARG A 73 3.173 -0.061 -2.946 1.00 10.22 H new ATOM 0 HH11 ARG A 73 -0.048 0.437 -4.309 1.00 75.01 H new ATOM 0 HH12 ARG A 73 0.018 2.192 -4.116 1.00 75.01 H new ATOM 0 HH21 ARG A 73 3.251 2.184 -2.713 1.00 63.04 H new ATOM 0 HH22 ARG A 73 1.878 3.176 -3.216 1.00 63.04 H new ATOM 1156 N THR A 74 6.493 -2.246 -4.338 1.00 33.33 N ATOM 1157 CA THR A 74 7.777 -1.557 -4.417 1.00 13.14 C ATOM 1158 C THR A 74 8.337 -1.577 -5.843 1.00 14.32 C ATOM 1159 O THR A 74 8.857 -0.571 -6.325 1.00 1.43 O ATOM 1160 CB THR A 74 8.814 -2.150 -3.430 1.00 43.40 C ATOM 1161 OG1 THR A 74 10.024 -1.390 -3.484 1.00 30.41 O ATOM 1162 CG2 THR A 74 9.124 -3.609 -3.740 1.00 44.14 C ATOM 0 H THR A 74 6.467 -3.018 -3.672 1.00 33.33 H new ATOM 0 HA THR A 74 7.592 -0.522 -4.131 1.00 13.14 H new ATOM 0 HB THR A 74 8.381 -2.101 -2.431 1.00 43.40 H new ATOM 0 HG1 THR A 74 9.820 -0.469 -3.749 1.00 30.41 H new ATOM 0 HG21 THR A 74 9.855 -3.986 -3.025 1.00 44.14 H new ATOM 0 HG22 THR A 74 8.210 -4.198 -3.669 1.00 44.14 H new ATOM 0 HG23 THR A 74 9.529 -3.688 -4.749 1.00 44.14 H new ATOM 1170 N GLU A 75 8.189 -2.710 -6.527 1.00 33.21 N ATOM 1171 CA GLU A 75 8.713 -2.870 -7.879 1.00 33.44 C ATOM 1172 C GLU A 75 8.077 -1.863 -8.838 1.00 63.13 C ATOM 1173 O GLU A 75 8.760 -1.254 -9.658 1.00 21.15 O ATOM 1174 CB GLU A 75 8.465 -4.305 -8.357 1.00 53.34 C ATOM 1175 CG GLU A 75 8.889 -4.579 -9.794 1.00 40.31 C ATOM 1176 CD GLU A 75 10.381 -4.448 -10.013 1.00 70.54 C ATOM 1177 OE1 GLU A 75 11.108 -5.447 -9.820 1.00 33.32 O ATOM 1178 OE2 GLU A 75 10.838 -3.350 -10.384 1.00 61.10 O ATOM 0 H GLU A 75 7.708 -3.533 -6.164 1.00 33.21 H new ATOM 0 HA GLU A 75 9.786 -2.678 -7.865 1.00 33.44 H new ATOM 0 HB2 GLU A 75 8.998 -4.990 -7.698 1.00 53.34 H new ATOM 0 HB3 GLU A 75 7.403 -4.528 -8.257 1.00 53.34 H new ATOM 0 HG2 GLU A 75 8.575 -5.585 -10.073 1.00 40.31 H new ATOM 0 HG3 GLU A 75 8.369 -3.887 -10.457 1.00 40.31 H new ATOM 1185 N LEU A 76 6.771 -1.676 -8.718 1.00 62.24 N ATOM 1186 CA LEU A 76 6.040 -0.802 -9.626 1.00 21.02 C ATOM 1187 C LEU A 76 5.956 0.628 -9.074 1.00 35.51 C ATOM 1188 O LEU A 76 5.797 1.589 -9.824 1.00 13.04 O ATOM 1189 CB LEU A 76 4.634 -1.360 -9.861 1.00 73.14 C ATOM 1190 CG LEU A 76 4.534 -2.622 -10.753 1.00 24.35 C ATOM 1191 CD1 LEU A 76 5.319 -3.802 -10.189 1.00 23.44 C ATOM 1192 CD2 LEU A 76 3.079 -3.023 -10.930 1.00 2.21 C ATOM 0 H LEU A 76 6.195 -2.117 -8.001 1.00 62.24 H new ATOM 0 HA LEU A 76 6.578 -0.764 -10.573 1.00 21.02 H new ATOM 0 HB2 LEU A 76 4.192 -1.591 -8.892 1.00 73.14 H new ATOM 0 HB3 LEU A 76 4.026 -0.575 -10.310 1.00 73.14 H new ATOM 0 HG LEU A 76 4.973 -2.363 -11.716 1.00 24.35 H new ATOM 0 HD11 LEU A 76 5.214 -4.660 -10.854 1.00 23.44 H new ATOM 0 HD12 LEU A 76 6.372 -3.533 -10.107 1.00 23.44 H new ATOM 0 HD13 LEU A 76 4.932 -4.058 -9.203 1.00 23.44 H new ATOM 0 HD21 LEU A 76 3.020 -3.911 -11.559 1.00 2.21 H new ATOM 0 HD22 LEU A 76 2.640 -3.238 -9.956 1.00 2.21 H new ATOM 0 HD23 LEU A 76 2.532 -2.207 -11.402 1.00 2.21 H new ATOM 1204 N LEU A 77 6.078 0.745 -7.761 1.00 12.32 N ATOM 1205 CA LEU A 77 5.990 2.021 -7.053 1.00 21.32 C ATOM 1206 C LEU A 77 7.141 2.926 -7.444 1.00 35.23 C ATOM 1207 O LEU A 77 6.949 4.078 -7.832 1.00 70.33 O ATOM 1208 CB LEU A 77 6.007 1.760 -5.531 1.00 14.31 C ATOM 1209 CG LEU A 77 6.032 2.979 -4.599 1.00 11.45 C ATOM 1210 CD1 LEU A 77 5.474 2.601 -3.240 1.00 63.33 C ATOM 1211 CD2 LEU A 77 7.449 3.511 -4.423 1.00 42.21 C ATOM 0 H LEU A 77 6.243 -0.051 -7.146 1.00 12.32 H new ATOM 0 HA LEU A 77 5.060 2.519 -7.325 1.00 21.32 H new ATOM 0 HB2 LEU A 77 5.128 1.166 -5.283 1.00 14.31 H new ATOM 0 HB3 LEU A 77 6.880 1.147 -5.305 1.00 14.31 H new ATOM 0 HG LEU A 77 5.419 3.758 -5.052 1.00 11.45 H new ATOM 0 HD11 LEU A 77 5.495 3.471 -2.583 1.00 63.33 H new ATOM 0 HD12 LEU A 77 4.446 2.255 -3.352 1.00 63.33 H new ATOM 0 HD13 LEU A 77 6.079 1.805 -2.807 1.00 63.33 H new ATOM 0 HD21 LEU A 77 7.434 4.374 -3.758 1.00 42.21 H new ATOM 0 HD22 LEU A 77 8.079 2.733 -3.993 1.00 42.21 H new ATOM 0 HD23 LEU A 77 7.849 3.807 -5.393 1.00 42.21 H new ATOM 1223 N ARG A 78 8.338 2.381 -7.368 1.00 73.24 N ATOM 1224 CA ARG A 78 9.545 3.154 -7.588 1.00 32.13 C ATOM 1225 C ARG A 78 9.728 3.503 -9.067 1.00 15.00 C ATOM 1226 O ARG A 78 10.763 4.035 -9.462 1.00 40.33 O ATOM 1227 CB ARG A 78 10.741 2.373 -7.047 1.00 65.42 C ATOM 1228 CG ARG A 78 11.026 1.084 -7.795 1.00 42.33 C ATOM 1229 CD ARG A 78 11.864 0.145 -6.948 1.00 40.34 C ATOM 1230 NE ARG A 78 12.166 -1.102 -7.642 1.00 41.31 N ATOM 1231 CZ ARG A 78 12.065 -2.309 -7.088 1.00 2.44 C ATOM 1232 NH1 ARG A 78 11.604 -2.446 -5.850 1.00 54.32 N ATOM 1233 NH2 ARG A 78 12.406 -3.382 -7.785 1.00 64.04 N ATOM 0 H ARG A 78 8.502 1.397 -7.154 1.00 73.24 H new ATOM 0 HA ARG A 78 9.464 4.101 -7.054 1.00 32.13 H new ATOM 0 HB2 ARG A 78 11.626 3.008 -7.089 1.00 65.42 H new ATOM 0 HB3 ARG A 78 10.565 2.140 -5.997 1.00 65.42 H new ATOM 0 HG2 ARG A 78 10.088 0.599 -8.064 1.00 42.33 H new ATOM 0 HG3 ARG A 78 11.548 1.306 -8.726 1.00 42.33 H new ATOM 0 HD2 ARG A 78 12.795 0.640 -6.673 1.00 40.34 H new ATOM 0 HD3 ARG A 78 11.334 -0.076 -6.021 1.00 40.34 H new ATOM 0 HE ARG A 78 12.474 -1.046 -8.613 1.00 41.31 H new ATOM 0 HH11 ARG A 78 11.324 -1.623 -5.316 1.00 54.32 H new ATOM 0 HH12 ARG A 78 11.530 -3.374 -5.433 1.00 54.32 H new ATOM 0 HH21 ARG A 78 12.744 -3.282 -8.742 1.00 64.04 H new ATOM 0 HH22 ARG A 78 12.330 -4.308 -7.365 1.00 64.04 H new ATOM 1247 N ARG A 79 8.704 3.224 -9.868 1.00 34.02 N ATOM 1248 CA ARG A 79 8.727 3.550 -11.288 1.00 54.32 C ATOM 1249 C ARG A 79 8.064 4.905 -11.535 1.00 63.33 C ATOM 1250 O ARG A 79 8.188 5.480 -12.616 1.00 5.11 O ATOM 1251 CB ARG A 79 8.001 2.472 -12.100 1.00 64.15 C ATOM 1252 CG ARG A 79 8.404 1.049 -11.741 1.00 53.14 C ATOM 1253 CD ARG A 79 9.891 0.813 -11.941 1.00 62.11 C ATOM 1254 NE ARG A 79 10.268 0.808 -13.351 1.00 43.15 N ATOM 1255 CZ ARG A 79 11.426 1.276 -13.809 1.00 72.40 C ATOM 1256 NH1 ARG A 79 12.298 1.836 -12.983 1.00 12.32 N ATOM 1257 NH2 ARG A 79 11.707 1.199 -15.098 1.00 20.12 N ATOM 0 H ARG A 79 7.845 2.771 -9.555 1.00 34.02 H new ATOM 0 HA ARG A 79 9.768 3.596 -11.607 1.00 54.32 H new ATOM 0 HB2 ARG A 79 6.927 2.582 -11.952 1.00 64.15 H new ATOM 0 HB3 ARG A 79 8.196 2.637 -13.160 1.00 64.15 H new ATOM 0 HG2 ARG A 79 8.141 0.849 -10.702 1.00 53.14 H new ATOM 0 HG3 ARG A 79 7.839 0.346 -12.354 1.00 53.14 H new ATOM 0 HD2 ARG A 79 10.453 1.588 -11.420 1.00 62.11 H new ATOM 0 HD3 ARG A 79 10.169 -0.139 -11.490 1.00 62.11 H new ATOM 0 HE ARG A 79 9.605 0.423 -14.024 1.00 43.15 H new ATOM 0 HH11 ARG A 79 12.083 1.910 -11.989 1.00 12.32 H new ATOM 0 HH12 ARG A 79 13.184 2.193 -13.342 1.00 12.32 H new ATOM 0 HH21 ARG A 79 11.036 0.781 -15.742 1.00 20.12 H new ATOM 0 HH22 ARG A 79 12.595 1.558 -15.449 1.00 20.12 H new ATOM 1271 N GLY A 80 7.352 5.409 -10.530 1.00 13.31 N ATOM 1272 CA GLY A 80 6.658 6.676 -10.671 1.00 60.35 C ATOM 1273 C GLY A 80 6.547 7.429 -9.362 1.00 61.04 C ATOM 1274 O GLY A 80 7.328 7.198 -8.438 1.00 2.11 O ATOM 0 H GLY A 80 7.244 4.961 -9.620 1.00 13.31 H new ATOM 0 HA2 GLY A 80 7.184 7.295 -11.398 1.00 60.35 H new ATOM 0 HA3 GLY A 80 5.659 6.496 -11.068 1.00 60.35 H new ATOM 1278 N ILE A 81 5.575 8.330 -9.280 1.00 52.31 N ATOM 1279 CA ILE A 81 5.361 9.115 -8.074 1.00 51.55 C ATOM 1280 C ILE A 81 4.235 8.501 -7.231 1.00 30.32 C ATOM 1281 O ILE A 81 3.061 8.874 -7.320 1.00 30.43 O ATOM 1282 CB ILE A 81 5.089 10.611 -8.401 1.00 43.03 C ATOM 1283 CG1 ILE A 81 4.746 11.407 -7.138 1.00 11.21 C ATOM 1284 CG2 ILE A 81 3.998 10.763 -9.449 1.00 42.40 C ATOM 1285 CD1 ILE A 81 5.887 11.492 -6.148 1.00 64.34 C ATOM 0 H ILE A 81 4.922 8.534 -10.037 1.00 52.31 H new ATOM 0 HA ILE A 81 6.277 9.088 -7.484 1.00 51.55 H new ATOM 0 HB ILE A 81 6.009 11.022 -8.816 1.00 43.03 H new ATOM 0 HG12 ILE A 81 4.448 12.416 -7.424 1.00 11.21 H new ATOM 0 HG13 ILE A 81 3.886 10.947 -6.651 1.00 11.21 H new ATOM 0 HG21 ILE A 81 3.834 11.821 -9.653 1.00 42.40 H new ATOM 0 HG22 ILE A 81 4.302 10.259 -10.367 1.00 42.40 H new ATOM 0 HG23 ILE A 81 3.074 10.317 -9.080 1.00 42.40 H new ATOM 0 HD11 ILE A 81 5.572 12.070 -5.279 1.00 64.34 H new ATOM 0 HD12 ILE A 81 6.171 10.488 -5.833 1.00 64.34 H new ATOM 0 HD13 ILE A 81 6.741 11.980 -6.618 1.00 64.34 H new ATOM 1297 N VAL A 82 4.612 7.515 -6.446 1.00 32.11 N ATOM 1298 CA VAL A 82 3.685 6.802 -5.591 1.00 62.12 C ATOM 1299 C VAL A 82 4.439 6.273 -4.382 1.00 74.13 C ATOM 1300 O VAL A 82 5.610 5.940 -4.491 1.00 42.35 O ATOM 1301 CB VAL A 82 2.986 5.645 -6.365 1.00 33.30 C ATOM 1302 CG1 VAL A 82 3.993 4.823 -7.145 1.00 23.14 C ATOM 1303 CG2 VAL A 82 2.196 4.742 -5.431 1.00 11.24 C ATOM 0 H VAL A 82 5.574 7.183 -6.382 1.00 32.11 H new ATOM 0 HA VAL A 82 2.902 7.484 -5.259 1.00 62.12 H new ATOM 0 HB VAL A 82 2.290 6.107 -7.065 1.00 33.30 H new ATOM 0 HG11 VAL A 82 3.477 4.023 -7.675 1.00 23.14 H new ATOM 0 HG12 VAL A 82 4.506 5.462 -7.863 1.00 23.14 H new ATOM 0 HG13 VAL A 82 4.721 4.392 -6.458 1.00 23.14 H new ATOM 0 HG21 VAL A 82 1.723 3.947 -6.007 1.00 11.24 H new ATOM 0 HG22 VAL A 82 2.868 4.304 -4.693 1.00 11.24 H new ATOM 0 HG23 VAL A 82 1.430 5.326 -4.922 1.00 11.24 H new ATOM 1313 N PHE A 83 3.792 6.249 -3.225 1.00 24.04 N ATOM 1314 CA PHE A 83 4.439 5.759 -2.009 1.00 35.11 C ATOM 1315 C PHE A 83 3.490 4.875 -1.204 1.00 30.32 C ATOM 1316 O PHE A 83 2.368 4.593 -1.637 1.00 1.20 O ATOM 1317 CB PHE A 83 4.931 6.925 -1.143 1.00 31.24 C ATOM 1318 CG PHE A 83 5.991 7.767 -1.792 1.00 34.14 C ATOM 1319 CD1 PHE A 83 7.310 7.348 -1.815 1.00 35.22 C ATOM 1320 CD2 PHE A 83 5.666 8.983 -2.370 1.00 51.01 C ATOM 1321 CE1 PHE A 83 8.285 8.127 -2.402 1.00 61.42 C ATOM 1322 CE2 PHE A 83 6.637 9.765 -2.959 1.00 2.05 C ATOM 1323 CZ PHE A 83 7.948 9.338 -2.975 1.00 53.21 C ATOM 0 H PHE A 83 2.828 6.559 -3.100 1.00 24.04 H new ATOM 0 HA PHE A 83 5.299 5.161 -2.310 1.00 35.11 H new ATOM 0 HB2 PHE A 83 4.082 7.560 -0.891 1.00 31.24 H new ATOM 0 HB3 PHE A 83 5.321 6.528 -0.206 1.00 31.24 H new ATOM 0 HD1 PHE A 83 7.578 6.402 -1.369 1.00 35.22 H new ATOM 0 HD2 PHE A 83 4.641 9.322 -2.359 1.00 51.01 H new ATOM 0 HE1 PHE A 83 9.311 7.791 -2.414 1.00 61.42 H new ATOM 0 HE2 PHE A 83 6.371 10.711 -3.407 1.00 2.05 H new ATOM 0 HZ PHE A 83 8.710 9.949 -3.435 1.00 53.21 H new ATOM 1333 N ALA A 84 3.947 4.422 -0.041 1.00 11.23 N ATOM 1334 CA ALA A 84 3.123 3.610 0.843 1.00 65.23 C ATOM 1335 C ALA A 84 3.567 3.765 2.292 1.00 64.43 C ATOM 1336 O ALA A 84 4.717 4.113 2.558 1.00 14.00 O ATOM 1337 CB ALA A 84 3.175 2.151 0.424 1.00 61.24 C ATOM 0 H ALA A 84 4.887 4.605 0.311 1.00 11.23 H new ATOM 0 HA ALA A 84 2.093 3.958 0.764 1.00 65.23 H new ATOM 0 HB1 ALA A 84 2.554 1.557 1.095 1.00 61.24 H new ATOM 0 HB2 ALA A 84 2.804 2.052 -0.596 1.00 61.24 H new ATOM 0 HB3 ALA A 84 4.204 1.795 0.472 1.00 61.24 H new ATOM 1343 N MET A 85 2.651 3.519 3.223 1.00 34.10 N ATOM 1344 CA MET A 85 2.961 3.635 4.644 1.00 34.54 C ATOM 1345 C MET A 85 1.923 2.934 5.518 1.00 62.12 C ATOM 1346 O MET A 85 0.733 2.892 5.188 1.00 21.13 O ATOM 1347 CB MET A 85 3.056 5.103 5.051 1.00 41.41 C ATOM 1348 CG MET A 85 1.872 5.936 4.592 1.00 1.03 C ATOM 1349 SD MET A 85 1.247 7.020 5.882 1.00 64.12 S ATOM 1350 CE MET A 85 0.601 5.793 7.016 1.00 63.42 C ATOM 0 H MET A 85 1.691 3.239 3.021 1.00 34.10 H new ATOM 0 HA MET A 85 3.922 3.145 4.800 1.00 34.54 H new ATOM 0 HB2 MET A 85 3.136 5.167 6.136 1.00 41.41 H new ATOM 0 HB3 MET A 85 3.971 5.528 4.638 1.00 41.41 H new ATOM 0 HG2 MET A 85 2.166 6.535 3.730 1.00 1.03 H new ATOM 0 HG3 MET A 85 1.073 5.273 4.261 1.00 1.03 H new ATOM 0 HE1 MET A 85 0.061 6.291 7.822 1.00 63.42 H new ATOM 0 HE2 MET A 85 -0.077 5.126 6.483 1.00 63.42 H new ATOM 0 HE3 MET A 85 1.425 5.215 7.434 1.00 63.42 H new ATOM 1360 N ALA A 86 2.385 2.409 6.646 1.00 63.42 N ATOM 1361 CA ALA A 86 1.517 1.728 7.595 1.00 72.34 C ATOM 1362 C ALA A 86 1.768 2.231 9.019 1.00 5.50 C ATOM 1363 O ALA A 86 2.383 3.283 9.217 1.00 1.24 O ATOM 1364 CB ALA A 86 1.731 0.224 7.519 1.00 3.23 C ATOM 0 H ALA A 86 3.365 2.443 6.926 1.00 63.42 H new ATOM 0 HA ALA A 86 0.482 1.949 7.333 1.00 72.34 H new ATOM 0 HB1 ALA A 86 1.076 -0.273 8.234 1.00 3.23 H new ATOM 0 HB2 ALA A 86 1.502 -0.126 6.512 1.00 3.23 H new ATOM 0 HB3 ALA A 86 2.769 -0.008 7.756 1.00 3.23 H new ATOM 1370 N ARG A 87 1.282 1.481 10.004 1.00 72.32 N ATOM 1371 CA ARG A 87 1.440 1.859 11.410 1.00 72.33 C ATOM 1372 C ARG A 87 1.762 0.645 12.280 1.00 11.34 C ATOM 1373 O ARG A 87 2.524 0.743 13.244 1.00 24.51 O ATOM 1374 CB ARG A 87 0.162 2.520 11.936 1.00 33.35 C ATOM 1375 CG ARG A 87 -1.057 1.606 11.903 1.00 44.22 C ATOM 1376 CD ARG A 87 -2.268 2.256 12.545 1.00 12.21 C ATOM 1377 NE ARG A 87 -2.066 2.511 13.971 1.00 64.11 N ATOM 1378 CZ ARG A 87 -2.854 3.302 14.696 1.00 30.23 C ATOM 1379 NH1 ARG A 87 -3.897 3.899 14.128 1.00 71.14 N ATOM 1380 NH2 ARG A 87 -2.614 3.476 15.990 1.00 60.43 N ATOM 0 H ARG A 87 0.775 0.608 9.857 1.00 72.32 H new ATOM 0 HA ARG A 87 2.270 2.564 11.464 1.00 72.33 H new ATOM 0 HB2 ARG A 87 0.330 2.851 12.961 1.00 33.35 H new ATOM 0 HB3 ARG A 87 -0.046 3.411 11.344 1.00 33.35 H new ATOM 0 HG2 ARG A 87 -1.289 1.347 10.870 1.00 44.22 H new ATOM 0 HG3 ARG A 87 -0.827 0.675 12.421 1.00 44.22 H new ATOM 0 HD2 ARG A 87 -2.486 3.195 12.037 1.00 12.21 H new ATOM 0 HD3 ARG A 87 -3.137 1.612 12.412 1.00 12.21 H new ATOM 0 HE ARG A 87 -1.279 2.058 14.435 1.00 64.11 H new ATOM 0 HH11 ARG A 87 -4.093 3.751 13.138 1.00 71.14 H new ATOM 0 HH12 ARG A 87 -4.502 4.505 14.682 1.00 71.14 H new ATOM 0 HH21 ARG A 87 -1.825 3.003 16.430 1.00 60.43 H new ATOM 0 HH22 ARG A 87 -3.219 4.082 16.544 1.00 60.43 H new ATOM 1394 N VAL A 88 1.176 -0.493 11.926 1.00 61.11 N ATOM 1395 CA VAL A 88 1.220 -1.682 12.762 1.00 65.41 C ATOM 1396 C VAL A 88 2.626 -2.277 12.844 1.00 13.12 C ATOM 1397 O VAL A 88 3.387 -2.253 11.876 1.00 45.14 O ATOM 1398 CB VAL A 88 0.218 -2.743 12.249 1.00 23.21 C ATOM 1399 CG1 VAL A 88 0.515 -3.119 10.805 1.00 13.32 C ATOM 1400 CG2 VAL A 88 0.219 -3.977 13.139 1.00 41.12 C ATOM 0 H VAL A 88 0.660 -0.615 11.055 1.00 61.11 H new ATOM 0 HA VAL A 88 0.935 -1.378 13.769 1.00 65.41 H new ATOM 0 HB VAL A 88 -0.779 -2.303 12.287 1.00 23.21 H new ATOM 0 HG11 VAL A 88 -0.204 -3.866 10.468 1.00 13.32 H new ATOM 0 HG12 VAL A 88 0.439 -2.233 10.175 1.00 13.32 H new ATOM 0 HG13 VAL A 88 1.523 -3.528 10.735 1.00 13.32 H new ATOM 0 HG21 VAL A 88 -0.495 -4.705 12.753 1.00 41.12 H new ATOM 0 HG22 VAL A 88 1.216 -4.417 13.149 1.00 41.12 H new ATOM 0 HG23 VAL A 88 -0.063 -3.694 14.153 1.00 41.12 H new ATOM 1410 N LYS A 89 2.954 -2.818 14.015 1.00 54.30 N ATOM 1411 CA LYS A 89 4.257 -3.432 14.260 1.00 2.43 C ATOM 1412 C LYS A 89 4.410 -4.770 13.535 1.00 33.13 C ATOM 1413 O LYS A 89 5.434 -5.441 13.664 1.00 44.52 O ATOM 1414 CB LYS A 89 4.496 -3.594 15.769 1.00 14.14 C ATOM 1415 CG LYS A 89 3.329 -4.213 16.537 1.00 62.45 C ATOM 1416 CD LYS A 89 3.299 -5.732 16.437 1.00 62.34 C ATOM 1417 CE LYS A 89 2.069 -6.309 17.124 1.00 34.02 C ATOM 1418 NZ LYS A 89 2.067 -7.798 17.115 1.00 23.32 N ATOM 0 H LYS A 89 2.326 -2.843 14.819 1.00 54.30 H new ATOM 0 HA LYS A 89 5.016 -2.764 13.854 1.00 2.43 H new ATOM 0 HB2 LYS A 89 5.381 -4.213 15.919 1.00 14.14 H new ATOM 0 HB3 LYS A 89 4.716 -2.615 16.196 1.00 14.14 H new ATOM 0 HG2 LYS A 89 3.395 -3.923 17.586 1.00 62.45 H new ATOM 0 HG3 LYS A 89 2.392 -3.809 16.153 1.00 62.45 H new ATOM 0 HD2 LYS A 89 3.305 -6.029 15.388 1.00 62.34 H new ATOM 0 HD3 LYS A 89 4.199 -6.146 16.891 1.00 62.34 H new ATOM 0 HE2 LYS A 89 2.030 -5.953 18.154 1.00 34.02 H new ATOM 0 HE3 LYS A 89 1.171 -5.943 16.626 1.00 34.02 H new ATOM 0 HZ1 LYS A 89 1.212 -8.147 17.593 1.00 23.32 H new ATOM 0 HZ2 LYS A 89 2.078 -8.139 16.133 1.00 23.32 H new ATOM 0 HZ3 LYS A 89 2.910 -8.149 17.613 1.00 23.32 H new ATOM 1432 N GLN A 90 3.394 -5.157 12.774 1.00 44.30 N ATOM 1433 CA GLN A 90 3.483 -6.341 11.930 1.00 70.30 C ATOM 1434 C GLN A 90 4.025 -5.981 10.553 1.00 51.13 C ATOM 1435 O GLN A 90 5.116 -6.414 10.178 1.00 3.30 O ATOM 1436 CB GLN A 90 2.116 -7.011 11.760 1.00 63.21 C ATOM 1437 CG GLN A 90 1.719 -7.931 12.904 1.00 32.21 C ATOM 1438 CD GLN A 90 0.506 -8.790 12.577 1.00 41.12 C ATOM 1439 OE1 GLN A 90 -0.289 -9.116 13.459 1.00 55.12 O ATOM 1440 NE2 GLN A 90 0.374 -9.197 11.321 1.00 61.31 N ATOM 0 H GLN A 90 2.500 -4.669 12.724 1.00 44.30 H new ATOM 0 HA GLN A 90 4.162 -7.036 12.425 1.00 70.30 H new ATOM 0 HB2 GLN A 90 1.357 -6.237 11.653 1.00 63.21 H new ATOM 0 HB3 GLN A 90 2.119 -7.585 10.833 1.00 63.21 H new ATOM 0 HG2 GLN A 90 2.560 -8.578 13.152 1.00 32.21 H new ATOM 0 HG3 GLN A 90 1.506 -7.331 13.789 1.00 32.21 H new ATOM 0 HE21 GLN A 90 1.052 -8.907 10.617 1.00 61.31 H new ATOM 0 HE22 GLN A 90 -0.406 -9.800 11.060 1.00 61.31 H new ATOM 1449 N ASP A 91 3.257 -5.157 9.837 1.00 13.01 N ATOM 1450 CA ASP A 91 3.502 -4.836 8.427 1.00 2.45 C ATOM 1451 C ASP A 91 4.978 -4.632 8.114 1.00 33.20 C ATOM 1452 O ASP A 91 5.555 -5.386 7.336 1.00 12.24 O ATOM 1453 CB ASP A 91 2.727 -3.574 8.038 1.00 65.11 C ATOM 1454 CG ASP A 91 2.888 -3.206 6.571 1.00 45.23 C ATOM 1455 OD1 ASP A 91 3.889 -2.545 6.228 1.00 11.21 O ATOM 1456 OD2 ASP A 91 1.998 -3.561 5.766 1.00 40.54 O ATOM 0 H ASP A 91 2.438 -4.688 10.223 1.00 13.01 H new ATOM 0 HA ASP A 91 3.159 -5.692 7.846 1.00 2.45 H new ATOM 0 HB2 ASP A 91 1.669 -3.722 8.256 1.00 65.11 H new ATOM 0 HB3 ASP A 91 3.066 -2.742 8.655 1.00 65.11 H new ATOM 1461 N LEU A 92 5.590 -3.646 8.758 1.00 1.44 N ATOM 1462 CA LEU A 92 6.940 -3.220 8.402 1.00 51.24 C ATOM 1463 C LEU A 92 7.952 -4.368 8.422 1.00 44.20 C ATOM 1464 O LEU A 92 8.828 -4.427 7.566 1.00 15.34 O ATOM 1465 CB LEU A 92 7.413 -2.026 9.275 1.00 13.23 C ATOM 1466 CG LEU A 92 7.693 -2.255 10.783 1.00 2.14 C ATOM 1467 CD1 LEU A 92 6.575 -3.015 11.479 1.00 45.41 C ATOM 1468 CD2 LEU A 92 9.036 -2.936 11.010 1.00 14.44 C ATOM 0 H LEU A 92 5.174 -3.125 9.530 1.00 1.44 H new ATOM 0 HA LEU A 92 6.888 -2.876 7.369 1.00 51.24 H new ATOM 0 HB2 LEU A 92 8.326 -1.634 8.828 1.00 13.23 H new ATOM 0 HB3 LEU A 92 6.659 -1.243 9.197 1.00 13.23 H new ATOM 0 HG LEU A 92 7.735 -1.264 11.236 1.00 2.14 H new ATOM 0 HD11 LEU A 92 6.825 -3.146 12.532 1.00 45.41 H new ATOM 0 HD12 LEU A 92 5.645 -2.453 11.394 1.00 45.41 H new ATOM 0 HD13 LEU A 92 6.452 -3.992 11.011 1.00 45.41 H new ATOM 0 HD21 LEU A 92 9.195 -3.079 12.079 1.00 14.44 H new ATOM 0 HD22 LEU A 92 9.042 -3.904 10.510 1.00 14.44 H new ATOM 0 HD23 LEU A 92 9.833 -2.313 10.604 1.00 14.44 H new ATOM 1480 N ARG A 93 7.826 -5.306 9.354 1.00 52.13 N ATOM 1481 CA ARG A 93 8.837 -6.348 9.482 1.00 24.31 C ATOM 1482 C ARG A 93 8.571 -7.510 8.538 1.00 64.04 C ATOM 1483 O ARG A 93 9.498 -8.029 7.920 1.00 13.30 O ATOM 1484 CB ARG A 93 8.991 -6.829 10.931 1.00 62.22 C ATOM 1485 CG ARG A 93 7.691 -6.939 11.709 1.00 20.01 C ATOM 1486 CD ARG A 93 7.935 -7.411 13.135 1.00 63.31 C ATOM 1487 NE ARG A 93 9.108 -6.770 13.733 1.00 32.54 N ATOM 1488 CZ ARG A 93 9.066 -5.679 14.501 1.00 75.35 C ATOM 1489 NH1 ARG A 93 7.910 -5.090 14.776 1.00 60.34 N ATOM 1490 NH2 ARG A 93 10.194 -5.177 14.987 1.00 51.30 N ATOM 0 H ARG A 93 7.053 -5.367 10.017 1.00 52.13 H new ATOM 0 HA ARG A 93 9.787 -5.900 9.191 1.00 24.31 H new ATOM 0 HB2 ARG A 93 9.478 -7.804 10.925 1.00 62.22 H new ATOM 0 HB3 ARG A 93 9.656 -6.144 11.457 1.00 62.22 H new ATOM 0 HG2 ARG A 93 7.192 -5.970 11.725 1.00 20.01 H new ATOM 0 HG3 ARG A 93 7.021 -7.634 11.204 1.00 20.01 H new ATOM 0 HD2 ARG A 93 7.056 -7.197 13.743 1.00 63.31 H new ATOM 0 HD3 ARG A 93 8.071 -8.492 13.140 1.00 63.31 H new ATOM 0 HE ARG A 93 10.021 -7.186 13.550 1.00 32.54 H new ATOM 0 HH11 ARG A 93 7.042 -5.470 14.400 1.00 60.34 H new ATOM 0 HH12 ARG A 93 7.889 -4.257 15.364 1.00 60.34 H new ATOM 0 HH21 ARG A 93 11.085 -5.624 14.773 1.00 51.30 H new ATOM 0 HH22 ARG A 93 10.170 -4.344 15.575 1.00 51.30 H new ATOM 1504 N GLU A 94 7.313 -7.902 8.393 1.00 51.21 N ATOM 1505 CA GLU A 94 6.982 -9.011 7.506 1.00 3.44 C ATOM 1506 C GLU A 94 7.017 -8.571 6.043 1.00 42.22 C ATOM 1507 O GLU A 94 7.520 -9.295 5.181 1.00 15.52 O ATOM 1508 CB GLU A 94 5.633 -9.632 7.885 1.00 50.52 C ATOM 1509 CG GLU A 94 4.501 -8.633 8.060 1.00 22.04 C ATOM 1510 CD GLU A 94 3.336 -9.234 8.816 1.00 25.54 C ATOM 1511 OE1 GLU A 94 3.355 -9.199 10.064 1.00 53.04 O ATOM 1512 OE2 GLU A 94 2.412 -9.762 8.175 1.00 74.12 O ATOM 0 H GLU A 94 6.516 -7.478 8.868 1.00 51.21 H new ATOM 0 HA GLU A 94 7.740 -9.785 7.628 1.00 3.44 H new ATOM 0 HB2 GLU A 94 5.350 -10.350 7.115 1.00 50.52 H new ATOM 0 HB3 GLU A 94 5.753 -10.190 8.813 1.00 50.52 H new ATOM 0 HG2 GLU A 94 4.868 -7.757 8.594 1.00 22.04 H new ATOM 0 HG3 GLU A 94 4.163 -8.291 7.082 1.00 22.04 H new ATOM 1519 N SER A 95 6.517 -7.371 5.768 1.00 12.11 N ATOM 1520 CA SER A 95 6.609 -6.800 4.428 1.00 62.24 C ATOM 1521 C SER A 95 8.071 -6.700 4.015 1.00 74.12 C ATOM 1522 O SER A 95 8.451 -7.091 2.912 1.00 55.04 O ATOM 1523 CB SER A 95 5.945 -5.420 4.390 1.00 63.43 C ATOM 1524 OG SER A 95 6.217 -4.752 3.177 1.00 40.21 O ATOM 0 H SER A 95 6.046 -6.777 6.451 1.00 12.11 H new ATOM 0 HA SER A 95 6.086 -7.449 3.726 1.00 62.24 H new ATOM 0 HB2 SER A 95 4.868 -5.529 4.513 1.00 63.43 H new ATOM 0 HB3 SER A 95 6.302 -4.819 5.226 1.00 63.43 H new ATOM 0 HG SER A 95 5.779 -3.875 3.181 1.00 40.21 H new ATOM 1530 N LEU A 96 8.895 -6.208 4.931 1.00 33.13 N ATOM 1531 CA LEU A 96 10.322 -6.103 4.690 1.00 64.45 C ATOM 1532 C LEU A 96 10.968 -7.478 4.523 1.00 41.14 C ATOM 1533 O LEU A 96 11.971 -7.604 3.835 1.00 63.23 O ATOM 1534 CB LEU A 96 10.984 -5.341 5.828 1.00 31.35 C ATOM 1535 CG LEU A 96 11.470 -3.927 5.481 1.00 55.31 C ATOM 1536 CD1 LEU A 96 12.433 -3.967 4.305 1.00 54.53 C ATOM 1537 CD2 LEU A 96 10.297 -3.000 5.175 1.00 23.01 C ATOM 0 H LEU A 96 8.596 -5.876 5.848 1.00 33.13 H new ATOM 0 HA LEU A 96 10.467 -5.557 3.758 1.00 64.45 H new ATOM 0 HB2 LEU A 96 10.277 -5.271 6.655 1.00 31.35 H new ATOM 0 HB3 LEU A 96 11.835 -5.922 6.184 1.00 31.35 H new ATOM 0 HG LEU A 96 11.995 -3.532 6.350 1.00 55.31 H new ATOM 0 HD11 LEU A 96 12.767 -2.956 4.074 1.00 54.53 H new ATOM 0 HD12 LEU A 96 13.294 -4.584 4.561 1.00 54.53 H new ATOM 0 HD13 LEU A 96 11.929 -4.390 3.436 1.00 54.53 H new ATOM 0 HD21 LEU A 96 10.673 -2.006 4.933 1.00 23.01 H new ATOM 0 HD22 LEU A 96 9.735 -3.392 4.327 1.00 23.01 H new ATOM 0 HD23 LEU A 96 9.645 -2.939 6.046 1.00 23.01 H new ATOM 1549 N ARG A 97 10.394 -8.503 5.151 1.00 62.42 N ATOM 1550 CA ARG A 97 10.886 -9.871 4.980 1.00 55.31 C ATOM 1551 C ARG A 97 10.760 -10.308 3.528 1.00 31.53 C ATOM 1552 O ARG A 97 11.634 -10.992 2.995 1.00 23.11 O ATOM 1553 CB ARG A 97 10.126 -10.850 5.875 1.00 30.32 C ATOM 1554 CG ARG A 97 10.603 -10.866 7.317 1.00 73.44 C ATOM 1555 CD ARG A 97 12.033 -11.371 7.418 1.00 60.24 C ATOM 1556 NE ARG A 97 12.486 -11.458 8.802 1.00 20.11 N ATOM 1557 CZ ARG A 97 13.168 -12.485 9.300 1.00 70.04 C ATOM 1558 NH1 ARG A 97 13.470 -13.525 8.528 1.00 34.03 N ATOM 1559 NH2 ARG A 97 13.540 -12.474 10.574 1.00 72.10 N ATOM 0 H ARG A 97 9.594 -8.415 5.778 1.00 62.42 H new ATOM 0 HA ARG A 97 11.937 -9.879 5.269 1.00 55.31 H new ATOM 0 HB2 ARG A 97 9.066 -10.596 5.856 1.00 30.32 H new ATOM 0 HB3 ARG A 97 10.220 -11.854 5.461 1.00 30.32 H new ATOM 0 HG2 ARG A 97 10.539 -9.861 7.735 1.00 73.44 H new ATOM 0 HG3 ARG A 97 9.947 -11.501 7.913 1.00 73.44 H new ATOM 0 HD2 ARG A 97 12.104 -12.353 6.951 1.00 60.24 H new ATOM 0 HD3 ARG A 97 12.693 -10.705 6.862 1.00 60.24 H new ATOM 0 HE ARG A 97 12.266 -10.682 9.427 1.00 20.11 H new ATOM 0 HH11 ARG A 97 13.178 -13.536 7.551 1.00 34.03 H new ATOM 0 HH12 ARG A 97 13.993 -14.311 8.913 1.00 34.03 H new ATOM 0 HH21 ARG A 97 13.303 -11.679 11.168 1.00 72.10 H new ATOM 0 HH22 ARG A 97 14.063 -13.260 10.959 1.00 72.10 H new ATOM 1573 N ALA A 98 9.663 -9.912 2.897 1.00 14.10 N ATOM 1574 CA ALA A 98 9.425 -10.239 1.496 1.00 64.55 C ATOM 1575 C ALA A 98 10.295 -9.389 0.572 1.00 61.44 C ATOM 1576 O ALA A 98 10.631 -9.806 -0.538 1.00 74.32 O ATOM 1577 CB ALA A 98 7.954 -10.050 1.158 1.00 2.13 C ATOM 0 H ALA A 98 8.922 -9.363 3.333 1.00 14.10 H new ATOM 0 HA ALA A 98 9.695 -11.284 1.342 1.00 64.55 H new ATOM 0 HB1 ALA A 98 7.787 -10.297 0.110 1.00 2.13 H new ATOM 0 HB2 ALA A 98 7.349 -10.705 1.786 1.00 2.13 H new ATOM 0 HB3 ALA A 98 7.670 -9.013 1.336 1.00 2.13 H new ATOM 1583 N ALA A 99 10.670 -8.203 1.036 1.00 15.22 N ATOM 1584 CA ALA A 99 11.414 -7.269 0.204 1.00 22.22 C ATOM 1585 C ALA A 99 12.912 -7.278 0.516 1.00 54.02 C ATOM 1586 O ALA A 99 13.707 -7.819 -0.252 1.00 73.12 O ATOM 1587 CB ALA A 99 10.852 -5.863 0.355 1.00 60.10 C ATOM 0 H ALA A 99 10.472 -7.868 1.979 1.00 15.22 H new ATOM 0 HA ALA A 99 11.298 -7.595 -0.829 1.00 22.22 H new ATOM 0 HB1 ALA A 99 11.418 -5.175 -0.273 1.00 60.10 H new ATOM 0 HB2 ALA A 99 9.806 -5.855 0.050 1.00 60.10 H new ATOM 0 HB3 ALA A 99 10.929 -5.550 1.396 1.00 60.10 H new ATOM 1593 N SER A 100 13.286 -6.674 1.650 1.00 24.44 N ATOM 1594 CA SER A 100 14.693 -6.486 2.018 1.00 44.50 C ATOM 1595 C SER A 100 15.436 -5.715 0.931 1.00 42.33 C ATOM 1596 O SER A 100 16.618 -5.945 0.680 1.00 4.23 O ATOM 1597 CB SER A 100 15.371 -7.835 2.270 1.00 3.32 C ATOM 1598 OG SER A 100 14.787 -8.501 3.377 1.00 53.03 O ATOM 0 H SER A 100 12.626 -6.304 2.334 1.00 24.44 H new ATOM 0 HA SER A 100 14.727 -5.904 2.939 1.00 44.50 H new ATOM 0 HB2 SER A 100 15.287 -8.459 1.380 1.00 3.32 H new ATOM 0 HB3 SER A 100 16.435 -7.682 2.453 1.00 3.32 H new ATOM 0 HG SER A 100 13.863 -8.196 3.492 1.00 53.03 H new ATOM 1604 N LEU A 101 14.742 -4.770 0.311 1.00 41.45 N ATOM 1605 CA LEU A 101 15.285 -4.058 -0.833 1.00 35.31 C ATOM 1606 C LEU A 101 15.389 -2.560 -0.552 1.00 12.04 C ATOM 1607 O LEU A 101 15.549 -1.758 -1.474 1.00 14.51 O ATOM 1608 CB LEU A 101 14.387 -4.304 -2.048 1.00 61.04 C ATOM 1609 CG LEU A 101 15.098 -4.296 -3.398 1.00 24.44 C ATOM 1610 CD1 LEU A 101 16.106 -5.431 -3.465 1.00 54.13 C ATOM 1611 CD2 LEU A 101 14.091 -4.410 -4.530 1.00 72.55 C ATOM 0 H LEU A 101 13.802 -4.480 0.583 1.00 41.45 H new ATOM 0 HA LEU A 101 16.290 -4.429 -1.033 1.00 35.31 H new ATOM 0 HB2 LEU A 101 13.891 -5.266 -1.923 1.00 61.04 H new ATOM 0 HB3 LEU A 101 13.607 -3.543 -2.062 1.00 61.04 H new ATOM 0 HG LEU A 101 15.630 -3.351 -3.507 1.00 24.44 H new ATOM 0 HD11 LEU A 101 16.607 -5.416 -4.433 1.00 54.13 H new ATOM 0 HD12 LEU A 101 16.844 -5.310 -2.672 1.00 54.13 H new ATOM 0 HD13 LEU A 101 15.591 -6.383 -3.338 1.00 54.13 H new ATOM 0 HD21 LEU A 101 14.615 -4.403 -5.486 1.00 72.55 H new ATOM 0 HD22 LEU A 101 13.534 -5.341 -4.429 1.00 72.55 H new ATOM 0 HD23 LEU A 101 13.400 -3.568 -4.489 1.00 72.55 H new ATOM 1623 N LEU A 102 15.336 -2.192 0.728 1.00 64.52 N ATOM 1624 CA LEU A 102 15.314 -0.782 1.132 1.00 32.43 C ATOM 1625 C LEU A 102 16.538 -0.020 0.642 1.00 31.51 C ATOM 1626 O LEU A 102 16.470 1.182 0.410 1.00 15.32 O ATOM 1627 CB LEU A 102 15.209 -0.651 2.651 1.00 54.15 C ATOM 1628 CG LEU A 102 13.806 -0.840 3.224 1.00 20.25 C ATOM 1629 CD1 LEU A 102 13.825 -0.660 4.731 1.00 22.52 C ATOM 1630 CD2 LEU A 102 12.830 0.136 2.579 1.00 25.23 C ATOM 0 H LEU A 102 15.307 -2.851 1.506 1.00 64.52 H new ATOM 0 HA LEU A 102 14.433 -0.341 0.666 1.00 32.43 H new ATOM 0 HB2 LEU A 102 15.873 -1.383 3.110 1.00 54.15 H new ATOM 0 HB3 LEU A 102 15.573 0.335 2.941 1.00 54.15 H new ATOM 0 HG LEU A 102 13.472 -1.853 3.001 1.00 20.25 H new ATOM 0 HD11 LEU A 102 12.819 -0.797 5.127 1.00 22.52 H new ATOM 0 HD12 LEU A 102 14.494 -1.396 5.177 1.00 22.52 H new ATOM 0 HD13 LEU A 102 14.176 0.343 4.973 1.00 22.52 H new ATOM 0 HD21 LEU A 102 11.835 -0.013 2.999 1.00 25.23 H new ATOM 0 HD22 LEU A 102 13.156 1.158 2.772 1.00 25.23 H new ATOM 0 HD23 LEU A 102 12.799 -0.038 1.503 1.00 25.23 H new ATOM 1642 N ASP A 103 17.645 -0.725 0.475 1.00 23.30 N ATOM 1643 CA ASP A 103 18.899 -0.099 0.064 1.00 63.35 C ATOM 1644 C ASP A 103 18.764 0.629 -1.272 1.00 2.04 C ATOM 1645 O ASP A 103 19.352 1.689 -1.466 1.00 30.11 O ATOM 1646 CB ASP A 103 20.013 -1.140 -0.035 1.00 53.52 C ATOM 1647 CG ASP A 103 21.368 -0.503 -0.257 1.00 44.00 C ATOM 1648 OD1 ASP A 103 21.956 0.003 0.724 1.00 42.25 O ATOM 1649 OD2 ASP A 103 21.853 -0.504 -1.405 1.00 12.04 O ATOM 0 H ASP A 103 17.705 -1.733 0.617 1.00 23.30 H new ATOM 0 HA ASP A 103 19.152 0.636 0.828 1.00 63.35 H new ATOM 0 HB2 ASP A 103 20.037 -1.733 0.879 1.00 53.52 H new ATOM 0 HB3 ASP A 103 19.796 -1.826 -0.854 1.00 53.52 H new ATOM 1654 N LYS A 104 17.978 0.077 -2.190 1.00 45.12 N ATOM 1655 CA LYS A 104 17.884 0.650 -3.529 1.00 64.40 C ATOM 1656 C LYS A 104 16.519 1.277 -3.799 1.00 71.10 C ATOM 1657 O LYS A 104 16.366 2.037 -4.755 1.00 64.33 O ATOM 1658 CB LYS A 104 18.207 -0.408 -4.584 1.00 53.13 C ATOM 1659 CG LYS A 104 17.276 -1.606 -4.569 1.00 65.40 C ATOM 1660 CD LYS A 104 17.951 -2.818 -5.183 1.00 25.12 C ATOM 1661 CE LYS A 104 19.126 -3.270 -4.329 1.00 32.12 C ATOM 1662 NZ LYS A 104 19.890 -4.380 -4.956 1.00 41.13 N ATOM 0 H LYS A 104 17.405 -0.753 -2.037 1.00 45.12 H new ATOM 0 HA LYS A 104 18.620 1.452 -3.589 1.00 64.40 H new ATOM 0 HB2 LYS A 104 18.169 0.055 -5.570 1.00 53.13 H new ATOM 0 HB3 LYS A 104 19.229 -0.755 -4.434 1.00 53.13 H new ATOM 0 HG2 LYS A 104 16.979 -1.829 -3.544 1.00 65.40 H new ATOM 0 HG3 LYS A 104 16.366 -1.372 -5.121 1.00 65.40 H new ATOM 0 HD2 LYS A 104 17.231 -3.631 -5.280 1.00 25.12 H new ATOM 0 HD3 LYS A 104 18.297 -2.577 -6.188 1.00 25.12 H new ATOM 0 HE2 LYS A 104 19.793 -2.425 -4.158 1.00 32.12 H new ATOM 0 HE3 LYS A 104 18.760 -3.590 -3.353 1.00 32.12 H new ATOM 0 HZ1 LYS A 104 20.679 -4.652 -4.336 1.00 41.13 H new ATOM 0 HZ2 LYS A 104 19.263 -5.198 -5.096 1.00 41.13 H new ATOM 0 HZ3 LYS A 104 20.263 -4.069 -5.875 1.00 41.13 H new ATOM 1676 N ILE A 105 15.528 0.959 -2.975 1.00 23.34 N ATOM 1677 CA ILE A 105 14.224 1.604 -3.103 1.00 42.11 C ATOM 1678 C ILE A 105 14.201 2.881 -2.277 1.00 4.41 C ATOM 1679 O ILE A 105 13.489 3.827 -2.600 1.00 31.02 O ATOM 1680 CB ILE A 105 13.057 0.675 -2.689 1.00 62.41 C ATOM 1681 CG1 ILE A 105 13.183 0.249 -1.229 1.00 11.24 C ATOM 1682 CG2 ILE A 105 13.034 -0.546 -3.596 1.00 43.05 C ATOM 1683 CD1 ILE A 105 12.076 -0.680 -0.765 1.00 51.31 C ATOM 0 H ILE A 105 15.597 0.272 -2.224 1.00 23.34 H new ATOM 0 HA ILE A 105 14.079 1.841 -4.157 1.00 42.11 H new ATOM 0 HB ILE A 105 12.121 1.224 -2.795 1.00 62.41 H new ATOM 0 HG12 ILE A 105 14.144 -0.246 -1.086 1.00 11.24 H new ATOM 0 HG13 ILE A 105 13.186 1.139 -0.599 1.00 11.24 H new ATOM 0 HG21 ILE A 105 12.212 -1.200 -3.305 1.00 43.05 H new ATOM 0 HG22 ILE A 105 12.896 -0.229 -4.630 1.00 43.05 H new ATOM 0 HG23 ILE A 105 13.977 -1.085 -3.504 1.00 43.05 H new ATOM 0 HD11 ILE A 105 12.233 -0.939 0.282 1.00 51.31 H new ATOM 0 HD12 ILE A 105 11.113 -0.182 -0.875 1.00 51.31 H new ATOM 0 HD13 ILE A 105 12.086 -1.587 -1.369 1.00 51.31 H new ATOM 1695 N GLY A 106 15.031 2.900 -1.232 1.00 30.22 N ATOM 1696 CA GLY A 106 15.136 4.063 -0.365 1.00 24.04 C ATOM 1697 C GLY A 106 13.803 4.492 0.216 1.00 34.20 C ATOM 1698 O GLY A 106 13.285 3.867 1.145 1.00 34.01 O ATOM 0 H GLY A 106 15.637 2.122 -0.970 1.00 30.22 H new ATOM 0 HA2 GLY A 106 15.826 3.841 0.449 1.00 24.04 H new ATOM 0 HA3 GLY A 106 15.564 4.892 -0.929 1.00 24.04 H new ATOM 1702 N GLU A 107 13.254 5.564 -0.333 1.00 70.13 N ATOM 1703 CA GLU A 107 11.965 6.075 0.094 1.00 24.32 C ATOM 1704 C GLU A 107 10.858 5.406 -0.714 1.00 74.14 C ATOM 1705 O GLU A 107 10.525 5.843 -1.816 1.00 72.34 O ATOM 1706 CB GLU A 107 11.927 7.597 -0.073 1.00 73.24 C ATOM 1707 CG GLU A 107 12.966 8.316 0.774 1.00 32.24 C ATOM 1708 CD GLU A 107 13.490 9.579 0.119 1.00 31.44 C ATOM 1709 OE1 GLU A 107 12.905 10.659 0.333 1.00 13.33 O ATOM 1710 OE2 GLU A 107 14.510 9.495 -0.606 1.00 65.34 O ATOM 0 H GLU A 107 13.688 6.101 -1.084 1.00 70.13 H new ATOM 0 HA GLU A 107 11.809 5.846 1.148 1.00 24.32 H new ATOM 0 HB2 GLU A 107 12.087 7.846 -1.122 1.00 73.24 H new ATOM 0 HB3 GLU A 107 10.935 7.961 0.193 1.00 73.24 H new ATOM 0 HG2 GLU A 107 12.528 8.568 1.740 1.00 32.24 H new ATOM 0 HG3 GLU A 107 13.799 7.641 0.968 1.00 32.24 H new ATOM 1717 N ASP A 108 10.323 4.320 -0.170 1.00 4.03 N ATOM 1718 CA ASP A 108 9.311 3.532 -0.860 1.00 54.21 C ATOM 1719 C ASP A 108 8.078 3.356 0.024 1.00 71.13 C ATOM 1720 O ASP A 108 7.073 4.057 -0.138 1.00 53.52 O ATOM 1721 CB ASP A 108 9.890 2.162 -1.241 1.00 71.31 C ATOM 1722 CG ASP A 108 8.956 1.323 -2.092 1.00 4.33 C ATOM 1723 OD1 ASP A 108 7.921 0.861 -1.571 1.00 40.45 O ATOM 1724 OD2 ASP A 108 9.272 1.100 -3.280 1.00 21.53 O ATOM 0 H ASP A 108 10.575 3.964 0.752 1.00 4.03 H new ATOM 0 HA ASP A 108 9.013 4.058 -1.767 1.00 54.21 H new ATOM 0 HB2 ASP A 108 10.825 2.310 -1.781 1.00 71.31 H new ATOM 0 HB3 ASP A 108 10.130 1.613 -0.331 1.00 71.31 H new ATOM 1729 N HIS A 109 8.162 2.435 0.978 1.00 22.32 N ATOM 1730 CA HIS A 109 7.052 2.186 1.885 1.00 63.33 C ATOM 1731 C HIS A 109 7.526 2.168 3.338 1.00 34.32 C ATOM 1732 O HIS A 109 8.396 1.381 3.714 1.00 22.22 O ATOM 1733 CB HIS A 109 6.301 0.895 1.503 1.00 52.41 C ATOM 1734 CG HIS A 109 7.077 -0.393 1.586 1.00 54.35 C ATOM 1735 ND1 HIS A 109 7.163 -1.145 2.734 1.00 44.41 N ATOM 1736 CD2 HIS A 109 7.735 -1.097 0.635 1.00 52.12 C ATOM 1737 CE1 HIS A 109 7.834 -2.253 2.482 1.00 62.15 C ATOM 1738 NE2 HIS A 109 8.193 -2.260 1.210 1.00 32.12 N ATOM 0 H HIS A 109 8.983 1.852 1.141 1.00 22.32 H new ATOM 0 HA HIS A 109 6.342 3.008 1.789 1.00 63.33 H new ATOM 0 HB2 HIS A 109 5.427 0.807 2.148 1.00 52.41 H new ATOM 0 HB3 HIS A 109 5.934 1.005 0.483 1.00 52.41 H new ATOM 0 HD2 HIS A 109 7.876 -0.798 -0.393 1.00 52.12 H new ATOM 0 HE1 HIS A 109 8.054 -3.029 3.200 1.00 62.15 H new ATOM 0 HE2 HIS A 109 8.717 -2.997 0.738 1.00 32.12 H new ATOM 1747 N ILE A 110 6.954 3.060 4.143 1.00 64.41 N ATOM 1748 CA ILE A 110 7.397 3.270 5.520 1.00 65.53 C ATOM 1749 C ILE A 110 6.197 3.443 6.469 1.00 12.41 C ATOM 1750 O ILE A 110 5.205 2.723 6.349 1.00 14.55 O ATOM 1751 CB ILE A 110 8.364 4.489 5.648 1.00 5.31 C ATOM 1752 CG1 ILE A 110 7.716 5.799 5.162 1.00 53.30 C ATOM 1753 CG2 ILE A 110 9.667 4.228 4.900 1.00 3.53 C ATOM 1754 CD1 ILE A 110 7.565 5.927 3.657 1.00 13.13 C ATOM 0 H ILE A 110 6.175 3.655 3.862 1.00 64.41 H new ATOM 0 HA ILE A 110 7.949 2.376 5.811 1.00 65.53 H new ATOM 0 HB ILE A 110 8.586 4.610 6.708 1.00 5.31 H new ATOM 0 HG12 ILE A 110 6.730 5.889 5.619 1.00 53.30 H new ATOM 0 HG13 ILE A 110 8.313 6.636 5.524 1.00 53.30 H new ATOM 0 HG21 ILE A 110 10.325 5.091 5.003 1.00 3.53 H new ATOM 0 HG22 ILE A 110 10.156 3.347 5.317 1.00 3.53 H new ATOM 0 HG23 ILE A 110 9.453 4.059 3.845 1.00 3.53 H new ATOM 0 HD11 ILE A 110 7.099 6.883 3.418 1.00 13.13 H new ATOM 0 HD12 ILE A 110 8.547 5.874 3.187 1.00 13.13 H new ATOM 0 HD13 ILE A 110 6.940 5.116 3.284 1.00 13.13 H new ATOM 1766 N PHE A 111 6.284 4.389 7.406 1.00 71.31 N ATOM 1767 CA PHE A 111 5.247 4.569 8.423 1.00 4.14 C ATOM 1768 C PHE A 111 4.420 5.835 8.208 1.00 24.02 C ATOM 1769 O PHE A 111 4.641 6.588 7.260 1.00 0.33 O ATOM 1770 CB PHE A 111 5.866 4.617 9.818 1.00 63.45 C ATOM 1771 CG PHE A 111 6.249 3.277 10.357 1.00 12.12 C ATOM 1772 CD1 PHE A 111 5.282 2.428 10.861 1.00 73.24 C ATOM 1773 CD2 PHE A 111 7.570 2.870 10.368 1.00 51.42 C ATOM 1774 CE1 PHE A 111 5.623 1.194 11.371 1.00 65.01 C ATOM 1775 CE2 PHE A 111 7.920 1.636 10.875 1.00 0.35 C ATOM 1776 CZ PHE A 111 6.946 0.797 11.378 1.00 64.05 C ATOM 0 H PHE A 111 7.063 5.043 7.481 1.00 71.31 H new ATOM 0 HA PHE A 111 4.581 3.711 8.332 1.00 4.14 H new ATOM 0 HB2 PHE A 111 6.751 5.253 9.790 1.00 63.45 H new ATOM 0 HB3 PHE A 111 5.159 5.085 10.503 1.00 63.45 H new ATOM 0 HD1 PHE A 111 4.247 2.735 10.855 1.00 73.24 H new ATOM 0 HD2 PHE A 111 8.335 3.524 9.976 1.00 51.42 H new ATOM 0 HE1 PHE A 111 4.859 0.540 11.764 1.00 65.01 H new ATOM 0 HE2 PHE A 111 8.955 1.327 10.878 1.00 0.35 H new ATOM 0 HZ PHE A 111 7.218 -0.169 11.777 1.00 64.05 H new ATOM 1786 N MET A 112 3.452 6.021 9.108 1.00 33.43 N ATOM 1787 CA MET A 112 2.575 7.199 9.148 1.00 61.52 C ATOM 1788 C MET A 112 3.352 8.510 8.968 1.00 22.04 C ATOM 1789 O MET A 112 4.124 8.903 9.845 1.00 3.21 O ATOM 1790 CB MET A 112 1.836 7.213 10.495 1.00 34.32 C ATOM 1791 CG MET A 112 0.761 8.286 10.647 1.00 34.30 C ATOM 1792 SD MET A 112 -0.782 7.880 9.796 1.00 64.41 S ATOM 1793 CE MET A 112 -0.600 8.820 8.285 1.00 3.11 C ATOM 0 H MET A 112 3.250 5.345 9.845 1.00 33.43 H new ATOM 0 HA MET A 112 1.871 7.129 8.319 1.00 61.52 H new ATOM 0 HB2 MET A 112 1.374 6.237 10.646 1.00 34.32 H new ATOM 0 HB3 MET A 112 2.570 7.344 11.290 1.00 34.32 H new ATOM 0 HG2 MET A 112 0.555 8.436 11.707 1.00 34.30 H new ATOM 0 HG3 MET A 112 1.143 9.231 10.260 1.00 34.30 H new ATOM 0 HE1 MET A 112 -1.096 8.295 7.468 1.00 3.11 H new ATOM 0 HE2 MET A 112 -1.052 9.804 8.412 1.00 3.11 H new ATOM 0 HE3 MET A 112 0.459 8.935 8.053 1.00 3.11 H new ATOM 1803 N THR A 113 3.135 9.167 7.822 1.00 41.00 N ATOM 1804 CA THR A 113 3.764 10.461 7.519 1.00 21.33 C ATOM 1805 C THR A 113 3.419 10.932 6.096 1.00 0.34 C ATOM 1806 O THR A 113 3.383 12.132 5.819 1.00 45.53 O ATOM 1807 CB THR A 113 5.308 10.409 7.677 1.00 61.03 C ATOM 1808 OG1 THR A 113 5.866 11.721 7.509 1.00 42.21 O ATOM 1809 CG2 THR A 113 5.944 9.458 6.668 1.00 50.32 C ATOM 0 H THR A 113 2.523 8.821 7.083 1.00 41.00 H new ATOM 0 HA THR A 113 3.363 11.172 8.242 1.00 21.33 H new ATOM 0 HB THR A 113 5.523 10.040 8.680 1.00 61.03 H new ATOM 0 HG1 THR A 113 6.840 11.678 7.612 1.00 42.21 H new ATOM 0 HG21 THR A 113 7.025 9.448 6.809 1.00 50.32 H new ATOM 0 HG22 THR A 113 5.549 8.453 6.816 1.00 50.32 H new ATOM 0 HG23 THR A 113 5.713 9.793 5.657 1.00 50.32 H new ATOM 1817 N LEU A 114 3.124 9.976 5.214 1.00 31.44 N ATOM 1818 CA LEU A 114 2.911 10.238 3.785 1.00 40.40 C ATOM 1819 C LEU A 114 1.955 11.417 3.496 1.00 73.12 C ATOM 1820 O LEU A 114 2.284 12.263 2.666 1.00 60.11 O ATOM 1821 CB LEU A 114 2.396 8.966 3.107 1.00 43.31 C ATOM 1822 CG LEU A 114 2.925 8.705 1.693 1.00 30.45 C ATOM 1823 CD1 LEU A 114 2.626 7.275 1.289 1.00 41.44 C ATOM 1824 CD2 LEU A 114 2.308 9.668 0.690 1.00 32.55 C ATOM 0 H LEU A 114 3.025 8.993 5.469 1.00 31.44 H new ATOM 0 HA LEU A 114 3.877 10.532 3.376 1.00 40.40 H new ATOM 0 HB2 LEU A 114 2.653 8.113 3.734 1.00 43.31 H new ATOM 0 HB3 LEU A 114 1.308 9.014 3.065 1.00 43.31 H new ATOM 0 HG LEU A 114 4.003 8.864 1.696 1.00 30.45 H new ATOM 0 HD11 LEU A 114 3.004 7.095 0.283 1.00 41.44 H new ATOM 0 HD12 LEU A 114 3.110 6.591 1.987 1.00 41.44 H new ATOM 0 HD13 LEU A 114 1.549 7.110 1.307 1.00 41.44 H new ATOM 0 HD21 LEU A 114 2.702 9.459 -0.305 1.00 32.55 H new ATOM 0 HD22 LEU A 114 1.225 9.544 0.685 1.00 32.55 H new ATOM 0 HD23 LEU A 114 2.554 10.692 0.970 1.00 32.55 H new ATOM 1836 N PRO A 115 0.762 11.496 4.144 1.00 15.34 N ATOM 1837 CA PRO A 115 -0.213 12.580 3.898 1.00 20.44 C ATOM 1838 C PRO A 115 0.400 13.983 3.920 1.00 14.40 C ATOM 1839 O PRO A 115 0.005 14.851 3.142 1.00 23.13 O ATOM 1840 CB PRO A 115 -1.242 12.439 5.036 1.00 42.13 C ATOM 1841 CG PRO A 115 -0.678 11.422 5.971 1.00 54.33 C ATOM 1842 CD PRO A 115 0.241 10.545 5.132 1.00 72.23 C ATOM 0 HA PRO A 115 -0.639 12.481 2.899 1.00 20.44 H new ATOM 0 HB2 PRO A 115 -1.398 13.392 5.542 1.00 42.13 H new ATOM 0 HB3 PRO A 115 -2.210 12.121 4.650 1.00 42.13 H new ATOM 0 HG2 PRO A 115 -0.128 11.900 6.782 1.00 54.33 H new ATOM 0 HG3 PRO A 115 -1.471 10.831 6.429 1.00 54.33 H new ATOM 0 HD2 PRO A 115 1.038 10.102 5.730 1.00 72.23 H new ATOM 0 HD3 PRO A 115 -0.299 9.724 4.661 1.00 72.23 H new ATOM 1850 N THR A 116 1.360 14.207 4.809 1.00 34.25 N ATOM 1851 CA THR A 116 2.016 15.503 4.891 1.00 63.15 C ATOM 1852 C THR A 116 3.334 15.479 4.115 1.00 31.50 C ATOM 1853 O THR A 116 3.844 16.522 3.702 1.00 22.22 O ATOM 1854 CB THR A 116 2.252 15.928 6.365 1.00 44.40 C ATOM 1855 OG1 THR A 116 2.729 17.277 6.424 1.00 54.34 O ATOM 1856 CG2 THR A 116 3.249 15.012 7.061 1.00 3.43 C ATOM 0 H THR A 116 1.698 13.514 5.477 1.00 34.25 H new ATOM 0 HA THR A 116 1.357 16.244 4.439 1.00 63.15 H new ATOM 0 HB THR A 116 1.295 15.852 6.882 1.00 44.40 H new ATOM 0 HG1 THR A 116 2.872 17.533 7.359 1.00 54.34 H new ATOM 0 HG21 THR A 116 3.388 15.341 8.091 1.00 3.43 H new ATOM 0 HG22 THR A 116 2.870 13.990 7.055 1.00 3.43 H new ATOM 0 HG23 THR A 116 4.204 15.048 6.536 1.00 3.43 H new ATOM 1864 N ALA A 117 3.858 14.279 3.886 1.00 34.13 N ATOM 1865 CA ALA A 117 5.091 14.107 3.136 1.00 72.45 C ATOM 1866 C ALA A 117 4.916 14.575 1.695 1.00 55.32 C ATOM 1867 O ALA A 117 5.725 15.350 1.191 1.00 13.32 O ATOM 1868 CB ALA A 117 5.543 12.656 3.177 1.00 71.14 C ATOM 0 H ALA A 117 3.442 13.407 4.213 1.00 34.13 H new ATOM 0 HA ALA A 117 5.863 14.720 3.602 1.00 72.45 H new ATOM 0 HB1 ALA A 117 6.468 12.547 2.610 1.00 71.14 H new ATOM 0 HB2 ALA A 117 5.714 12.357 4.211 1.00 71.14 H new ATOM 0 HB3 ALA A 117 4.772 12.022 2.739 1.00 71.14 H new ATOM 1874 N VAL A 118 3.850 14.117 1.039 1.00 71.14 N ATOM 1875 CA VAL A 118 3.568 14.534 -0.335 1.00 40.43 C ATOM 1876 C VAL A 118 3.383 16.041 -0.416 1.00 15.14 C ATOM 1877 O VAL A 118 3.846 16.680 -1.358 1.00 64.10 O ATOM 1878 CB VAL A 118 2.329 13.830 -0.937 1.00 70.20 C ATOM 1879 CG1 VAL A 118 2.660 12.394 -1.305 1.00 35.30 C ATOM 1880 CG2 VAL A 118 1.143 13.878 0.019 1.00 34.50 C ATOM 0 H VAL A 118 3.173 13.463 1.432 1.00 71.14 H new ATOM 0 HA VAL A 118 4.435 14.236 -0.925 1.00 40.43 H new ATOM 0 HB VAL A 118 2.047 14.367 -1.843 1.00 70.20 H new ATOM 0 HG11 VAL A 118 1.777 11.914 -1.727 1.00 35.30 H new ATOM 0 HG12 VAL A 118 3.465 12.383 -2.040 1.00 35.30 H new ATOM 0 HG13 VAL A 118 2.976 11.853 -0.413 1.00 35.30 H new ATOM 0 HG21 VAL A 118 0.289 13.375 -0.435 1.00 34.50 H new ATOM 0 HG22 VAL A 118 1.406 13.377 0.951 1.00 34.50 H new ATOM 0 HG23 VAL A 118 0.884 14.916 0.226 1.00 34.50 H new ATOM 1890 N GLN A 119 2.725 16.603 0.591 1.00 11.15 N ATOM 1891 CA GLN A 119 2.537 18.039 0.673 1.00 11.00 C ATOM 1892 C GLN A 119 3.891 18.741 0.656 1.00 61.24 C ATOM 1893 O GLN A 119 4.149 19.592 -0.193 1.00 13.53 O ATOM 1894 CB GLN A 119 1.775 18.395 1.953 1.00 73.12 C ATOM 1895 CG GLN A 119 1.571 19.889 2.151 1.00 73.31 C ATOM 1896 CD GLN A 119 0.890 20.231 3.467 1.00 60.02 C ATOM 1897 OE1 GLN A 119 0.163 21.219 3.561 1.00 73.13 O ATOM 1898 NE2 GLN A 119 1.127 19.430 4.497 1.00 51.10 N ATOM 0 H GLN A 119 2.313 16.080 1.363 1.00 11.15 H new ATOM 0 HA GLN A 119 1.955 18.372 -0.187 1.00 11.00 H new ATOM 0 HB2 GLN A 119 0.802 17.904 1.934 1.00 73.12 H new ATOM 0 HB3 GLN A 119 2.317 17.995 2.810 1.00 73.12 H new ATOM 0 HG2 GLN A 119 2.538 20.390 2.109 1.00 73.31 H new ATOM 0 HG3 GLN A 119 0.973 20.280 1.328 1.00 73.31 H new ATOM 0 HE21 GLN A 119 1.735 18.619 4.383 1.00 51.10 H new ATOM 0 HE22 GLN A 119 0.701 19.625 5.403 1.00 51.10 H new ATOM 1907 N ALA A 120 4.758 18.336 1.577 1.00 43.31 N ATOM 1908 CA ALA A 120 6.063 18.958 1.736 1.00 64.30 C ATOM 1909 C ALA A 120 6.953 18.740 0.515 1.00 15.44 C ATOM 1910 O ALA A 120 7.499 19.691 -0.031 1.00 32.31 O ATOM 1911 CB ALA A 120 6.744 18.431 2.991 1.00 35.44 C ATOM 0 H ALA A 120 4.576 17.573 2.229 1.00 43.31 H new ATOM 0 HA ALA A 120 5.907 20.032 1.835 1.00 64.30 H new ATOM 0 HB1 ALA A 120 7.720 18.903 3.101 1.00 35.44 H new ATOM 0 HB2 ALA A 120 6.130 18.661 3.862 1.00 35.44 H new ATOM 0 HB3 ALA A 120 6.870 17.351 2.910 1.00 35.44 H new ATOM 1917 N PHE A 121 7.069 17.493 0.075 1.00 12.43 N ATOM 1918 CA PHE A 121 8.009 17.144 -0.987 1.00 60.53 C ATOM 1919 C PHE A 121 7.648 17.778 -2.327 1.00 40.13 C ATOM 1920 O PHE A 121 8.532 18.144 -3.096 1.00 32.34 O ATOM 1921 CB PHE A 121 8.112 15.624 -1.155 1.00 0.51 C ATOM 1922 CG PHE A 121 8.830 14.931 -0.030 1.00 13.25 C ATOM 1923 CD1 PHE A 121 10.038 15.416 0.443 1.00 41.25 C ATOM 1924 CD2 PHE A 121 8.305 13.783 0.542 1.00 74.25 C ATOM 1925 CE1 PHE A 121 10.707 14.772 1.466 1.00 12.51 C ATOM 1926 CE2 PHE A 121 8.968 13.135 1.567 1.00 52.13 C ATOM 1927 CZ PHE A 121 10.170 13.631 2.029 1.00 52.24 C ATOM 0 H PHE A 121 6.527 16.708 0.435 1.00 12.43 H new ATOM 0 HA PHE A 121 8.974 17.544 -0.677 1.00 60.53 H new ATOM 0 HB2 PHE A 121 7.108 15.210 -1.241 1.00 0.51 H new ATOM 0 HB3 PHE A 121 8.628 15.406 -2.090 1.00 0.51 H new ATOM 0 HD1 PHE A 121 10.462 16.308 0.007 1.00 41.25 H new ATOM 0 HD2 PHE A 121 7.366 13.390 0.182 1.00 74.25 H new ATOM 0 HE1 PHE A 121 11.649 15.160 1.825 1.00 12.51 H new ATOM 0 HE2 PHE A 121 8.546 12.243 2.005 1.00 52.13 H new ATOM 0 HZ PHE A 121 10.690 13.127 2.830 1.00 52.24 H new ATOM 1937 N ARG A 122 6.361 17.920 -2.610 1.00 12.13 N ATOM 1938 CA ARG A 122 5.937 18.377 -3.932 1.00 54.10 C ATOM 1939 C ARG A 122 6.000 19.900 -4.073 1.00 54.10 C ATOM 1940 O ARG A 122 6.061 20.410 -5.190 1.00 45.32 O ATOM 1941 CB ARG A 122 4.534 17.861 -4.265 1.00 22.21 C ATOM 1942 CG ARG A 122 4.460 16.343 -4.345 1.00 40.24 C ATOM 1943 CD ARG A 122 5.384 15.787 -5.419 1.00 3.53 C ATOM 1944 NE ARG A 122 4.678 15.504 -6.667 1.00 11.30 N ATOM 1945 CZ ARG A 122 5.213 15.621 -7.881 1.00 64.24 C ATOM 1946 NH1 ARG A 122 6.448 16.090 -8.039 1.00 2.42 N ATOM 1947 NH2 ARG A 122 4.498 15.265 -8.937 1.00 63.34 N ATOM 0 H ARG A 122 5.601 17.730 -1.957 1.00 12.13 H new ATOM 0 HA ARG A 122 6.643 17.960 -4.650 1.00 54.10 H new ATOM 0 HB2 ARG A 122 3.834 18.214 -3.507 1.00 22.21 H new ATOM 0 HB3 ARG A 122 4.214 18.285 -5.217 1.00 22.21 H new ATOM 0 HG2 ARG A 122 4.727 15.915 -3.379 1.00 40.24 H new ATOM 0 HG3 ARG A 122 3.434 16.040 -4.556 1.00 40.24 H new ATOM 0 HD2 ARG A 122 6.185 16.501 -5.611 1.00 3.53 H new ATOM 0 HD3 ARG A 122 5.853 14.873 -5.054 1.00 3.53 H new ATOM 0 HE ARG A 122 3.708 15.195 -6.604 1.00 11.30 H new ATOM 0 HH11 ARG A 122 6.997 16.365 -7.225 1.00 2.42 H new ATOM 0 HH12 ARG A 122 6.846 16.174 -8.974 1.00 2.42 H new ATOM 0 HH21 ARG A 122 3.551 14.907 -8.814 1.00 63.34 H new ATOM 0 HH22 ARG A 122 4.894 15.349 -9.873 1.00 63.34 H new ATOM 1961 N ARG A 123 5.997 20.628 -2.960 1.00 21.32 N ATOM 1962 CA ARG A 123 6.104 22.085 -3.032 1.00 10.01 C ATOM 1963 C ARG A 123 7.413 22.564 -2.401 1.00 65.13 C ATOM 1964 O ARG A 123 7.713 23.760 -2.396 1.00 20.31 O ATOM 1965 CB ARG A 123 4.867 22.761 -2.402 1.00 33.33 C ATOM 1966 CG ARG A 123 5.051 23.357 -1.006 1.00 25.03 C ATOM 1967 CD ARG A 123 5.306 22.301 0.053 1.00 25.24 C ATOM 1968 NE ARG A 123 4.837 22.724 1.373 1.00 1.31 N ATOM 1969 CZ ARG A 123 5.532 22.574 2.497 1.00 72.23 C ATOM 1970 NH1 ARG A 123 6.780 22.127 2.463 1.00 25.31 N ATOM 1971 NH2 ARG A 123 4.982 22.907 3.655 1.00 1.43 N ATOM 0 H ARG A 123 5.924 20.246 -2.017 1.00 21.32 H new ATOM 0 HA ARG A 123 6.127 22.381 -4.081 1.00 10.01 H new ATOM 0 HB2 ARG A 123 4.535 23.555 -3.071 1.00 33.33 H new ATOM 0 HB3 ARG A 123 4.063 22.026 -2.356 1.00 33.33 H new ATOM 0 HG2 ARG A 123 5.885 24.058 -1.022 1.00 25.03 H new ATOM 0 HG3 ARG A 123 4.161 23.926 -0.738 1.00 25.03 H new ATOM 0 HD2 ARG A 123 4.805 21.375 -0.230 1.00 25.24 H new ATOM 0 HD3 ARG A 123 6.373 22.085 0.100 1.00 25.24 H new ATOM 0 HE ARG A 123 3.918 23.162 1.435 1.00 1.31 H new ATOM 0 HH11 ARG A 123 7.215 21.895 1.570 1.00 25.31 H new ATOM 0 HH12 ARG A 123 7.305 22.015 3.330 1.00 25.31 H new ATOM 0 HH21 ARG A 123 4.031 23.276 3.681 1.00 1.43 H new ATOM 0 HH22 ARG A 123 5.509 22.795 4.521 1.00 1.43 H new ATOM 1985 N ARG A 124 8.188 21.604 -1.900 1.00 12.34 N ATOM 1986 CA ARG A 124 9.498 21.858 -1.297 1.00 72.23 C ATOM 1987 C ARG A 124 9.400 22.877 -0.163 1.00 21.25 C ATOM 1988 O ARG A 124 9.720 24.064 -0.386 1.00 62.30 O ATOM 1989 CB ARG A 124 10.507 22.321 -2.353 1.00 63.44 C ATOM 1990 CG ARG A 124 10.689 21.340 -3.503 1.00 32.41 C ATOM 1991 CD ARG A 124 11.092 19.955 -3.014 1.00 43.45 C ATOM 1992 NE ARG A 124 12.365 19.963 -2.293 1.00 15.01 N ATOM 1993 CZ ARG A 124 12.877 18.894 -1.680 1.00 3.25 C ATOM 1994 NH1 ARG A 124 12.227 17.735 -1.713 1.00 70.23 N ATOM 1995 NH2 ARG A 124 14.038 18.988 -1.039 1.00 34.43 N ATOM 0 H ARG A 124 7.923 20.619 -1.900 1.00 12.34 H new ATOM 0 HA ARG A 124 9.853 20.918 -0.873 1.00 72.23 H new ATOM 0 HB2 ARG A 124 10.183 23.281 -2.755 1.00 63.44 H new ATOM 0 HB3 ARG A 124 11.471 22.486 -1.873 1.00 63.44 H new ATOM 0 HG2 ARG A 124 9.760 21.268 -4.069 1.00 32.41 H new ATOM 0 HG3 ARG A 124 11.450 21.719 -4.186 1.00 32.41 H new ATOM 0 HD2 ARG A 124 10.312 19.562 -2.362 1.00 43.45 H new ATOM 0 HD3 ARG A 124 11.165 19.280 -3.866 1.00 43.45 H new ATOM 0 HE ARG A 124 12.891 20.836 -2.257 1.00 15.01 H new ATOM 0 HH11 ARG A 124 11.337 17.663 -2.207 1.00 70.23 H new ATOM 0 HH12 ARG A 124 12.618 16.918 -1.245 1.00 70.23 H new ATOM 0 HH21 ARG A 124 14.537 19.877 -1.016 1.00 34.43 H new ATOM 0 HH22 ARG A 124 14.429 18.171 -0.570 1.00 34.43 H new