USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 783 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 22 TYR OH : rot -90:sc= 0.146 USER MOD Set 1.2: A 80 HIS :FLIP no HD1:sc= 0.242 F(o=-0.56,f=0.39) USER MOD Set 2.1: A 48 THR OG1 : rot -91:sc= 0.179 USER MOD Set 2.2: A 53 ASN : amide:sc= 0.151 X(o=0.33,f=0.77) USER MOD Single : A 15 LYS NZ :NH3+ -153:sc= 1.21 (180deg=0.976) USER MOD Single : A 19 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.24) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 76:sc= 1.32 USER MOD Single : A 31 ASN :FLIP amide:sc= -1.9 F(o=-3.3!,f=-1.9) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 76:sc= 1.24 USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0254) USER MOD Single : A 51 LYS NZ :NH3+ -114:sc= 0.0241 (180deg=-0.372) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 15:sc= -3.02! USER MOD Single : A 62 THR OG1 : rot -95:sc= 0.559 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0808 USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0384 (180deg=-0.32) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -9:sc= -1.33! USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 74:sc= 1.25 USER MOD Single : A 81 MET CE :methyl 177:sc= -2.74 (180deg=-2.89!) USER MOD Single : A 84 MET CE :methyl -162:sc= -0.875 (180deg=-1.41!) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00976) USER MOD Single : A 89 LYS NZ :NH3+ -108:sc= -0.735 (180deg=-2.97!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.16) USER MOD Single : A 95 SER OG : rot -16:sc= 1.22 USER MOD Single : A 96 GLN : amide:sc= -0.0206 X(o=-0.021,f=-0.072) USER MOD Single : A 101 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.673) USER MOD Single : A 102 TYR OH : rot 24:sc= -2.98! USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 7 1.125 3.068 13.883 1.00 0.00 N ATOM 84 CA PRO A 7 2.466 2.553 13.628 1.00 0.00 C ATOM 85 C PRO A 7 2.641 2.163 12.169 1.00 0.00 C ATOM 86 O PRO A 7 2.992 1.024 11.849 1.00 0.00 O ATOM 87 CB PRO A 7 2.553 1.311 14.533 1.00 0.00 C ATOM 88 CG PRO A 7 1.192 1.141 15.143 1.00 0.00 C ATOM 89 CD PRO A 7 0.250 1.997 14.344 1.00 0.00 C ATOM 0 HA PRO A 7 3.242 3.291 13.832 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.835 0.429 13.958 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.312 1.444 15.304 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.883 0.096 15.115 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.197 1.444 16.190 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.194 1.448 13.514 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.572 2.376 14.952 1.00 0.00 H new ATOM 97 N GLY A 8 2.384 3.114 11.290 1.00 0.00 N ATOM 98 CA GLY A 8 2.382 2.828 9.878 1.00 0.00 C ATOM 99 C GLY A 8 3.728 3.025 9.223 1.00 0.00 C ATOM 100 O GLY A 8 4.088 2.281 8.316 1.00 0.00 O ATOM 0 H GLY A 8 2.176 4.083 11.532 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.059 1.798 9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.650 3.469 9.386 1.00 0.00 H new ATOM 104 N ALA A 9 4.463 4.029 9.694 1.00 0.00 N ATOM 105 CA ALA A 9 5.732 4.428 9.094 1.00 0.00 C ATOM 106 C ALA A 9 6.234 5.701 9.758 1.00 0.00 C ATOM 107 O ALA A 9 5.951 5.951 10.925 1.00 0.00 O ATOM 108 CB ALA A 9 5.581 4.655 7.592 1.00 0.00 C ATOM 0 H ALA A 9 4.195 4.589 10.503 1.00 0.00 H new ATOM 0 HA ALA A 9 6.452 3.624 9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.542 4.951 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.245 3.733 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.849 5.443 7.415 1.00 0.00 H new ATOM 114 N ASP A 10 6.947 6.516 9.002 1.00 0.00 N ATOM 115 CA ASP A 10 7.451 7.786 9.504 1.00 0.00 C ATOM 116 C ASP A 10 6.958 8.923 8.619 1.00 0.00 C ATOM 117 O ASP A 10 6.813 10.061 9.058 1.00 0.00 O ATOM 118 CB ASP A 10 8.982 7.769 9.543 1.00 0.00 C ATOM 119 CG ASP A 10 9.568 9.079 10.025 1.00 0.00 C ATOM 120 OD1 ASP A 10 9.533 9.341 11.244 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.073 9.852 9.186 1.00 0.00 O ATOM 0 H ASP A 10 7.193 6.321 8.031 1.00 0.00 H new ATOM 0 HA ASP A 10 7.080 7.940 10.517 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.316 6.964 10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.364 7.549 8.546 1.00 0.00 H new ATOM 126 N CYS A 11 6.650 8.574 7.376 1.00 0.00 N ATOM 127 CA CYS A 11 6.257 9.542 6.356 1.00 0.00 C ATOM 128 C CYS A 11 4.815 10.016 6.547 1.00 0.00 C ATOM 129 O CYS A 11 4.295 10.801 5.753 1.00 0.00 O ATOM 130 CB CYS A 11 6.437 8.901 4.988 1.00 0.00 C ATOM 131 SG CYS A 11 8.058 8.093 4.801 1.00 0.00 S ATOM 0 H CYS A 11 6.665 7.609 7.045 1.00 0.00 H new ATOM 0 HA CYS A 11 6.890 10.425 6.442 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.648 8.166 4.829 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.324 9.662 4.216 1.00 0.00 H new ATOM 136 N GLU A 12 4.178 9.500 7.595 1.00 0.00 N ATOM 137 CA GLU A 12 2.863 9.954 8.050 1.00 0.00 C ATOM 138 C GLU A 12 1.732 9.582 7.079 1.00 0.00 C ATOM 139 O GLU A 12 0.962 8.673 7.367 1.00 0.00 O ATOM 140 CB GLU A 12 2.886 11.461 8.328 1.00 0.00 C ATOM 141 CG GLU A 12 1.677 11.956 9.101 1.00 0.00 C ATOM 142 CD GLU A 12 1.463 11.183 10.388 1.00 0.00 C ATOM 143 OE1 GLU A 12 2.463 10.780 11.029 1.00 0.00 O ATOM 144 OE2 GLU A 12 0.297 10.955 10.758 1.00 0.00 O ATOM 0 H GLU A 12 4.564 8.744 8.161 1.00 0.00 H new ATOM 0 HA GLU A 12 2.647 9.428 8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.789 11.705 8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.944 11.996 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.804 13.014 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.788 11.870 8.476 1.00 0.00 H new ATOM 151 N VAL A 13 1.625 10.267 5.939 1.00 0.00 N ATOM 152 CA VAL A 13 0.587 9.935 4.954 1.00 0.00 C ATOM 153 C VAL A 13 0.733 8.473 4.522 1.00 0.00 C ATOM 154 O VAL A 13 -0.232 7.702 4.508 1.00 0.00 O ATOM 155 CB VAL A 13 0.630 10.875 3.710 1.00 0.00 C ATOM 156 CG1 VAL A 13 1.999 10.872 3.053 1.00 0.00 C ATOM 157 CG2 VAL A 13 -0.449 10.492 2.707 1.00 0.00 C ATOM 0 H VAL A 13 2.232 11.043 5.675 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.382 10.082 5.432 1.00 0.00 H new ATOM 0 HB VAL A 13 0.434 11.889 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.990 11.538 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.747 11.215 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.244 9.861 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.401 11.161 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.291 9.465 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.429 10.576 3.177 1.00 0.00 H new ATOM 167 N CYS A 14 1.966 8.099 4.220 1.00 0.00 N ATOM 168 CA CYS A 14 2.312 6.737 3.852 1.00 0.00 C ATOM 169 C CYS A 14 2.161 5.807 5.057 1.00 0.00 C ATOM 170 O CYS A 14 1.800 4.639 4.914 1.00 0.00 O ATOM 171 CB CYS A 14 3.743 6.730 3.311 1.00 0.00 C ATOM 172 SG CYS A 14 4.504 5.093 3.140 1.00 0.00 S ATOM 0 H CYS A 14 2.761 8.738 4.224 1.00 0.00 H new ATOM 0 HA CYS A 14 1.638 6.371 3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.747 7.217 2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.366 7.334 3.971 1.00 0.00 H new ATOM 177 N LYS A 15 2.406 6.353 6.245 1.00 0.00 N ATOM 178 CA LYS A 15 2.229 5.622 7.496 1.00 0.00 C ATOM 179 C LYS A 15 0.784 5.155 7.637 1.00 0.00 C ATOM 180 O LYS A 15 0.513 3.972 7.849 1.00 0.00 O ATOM 181 CB LYS A 15 2.617 6.529 8.677 1.00 0.00 C ATOM 182 CG LYS A 15 1.753 6.348 9.919 1.00 0.00 C ATOM 183 CD LYS A 15 1.972 7.459 10.931 1.00 0.00 C ATOM 184 CE LYS A 15 3.370 7.430 11.513 1.00 0.00 C ATOM 185 NZ LYS A 15 3.624 8.610 12.381 1.00 0.00 N ATOM 0 H LYS A 15 2.732 7.312 6.367 1.00 0.00 H new ATOM 0 HA LYS A 15 2.873 4.743 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.657 6.336 8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.557 7.569 8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.702 6.323 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.979 5.387 10.381 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.798 8.423 10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.243 7.365 11.735 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.506 6.516 12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.101 7.407 10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.642 8.821 12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.104 9.431 12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.303 8.405 13.349 1.00 0.00 H new ATOM 199 N GLU A 16 -0.128 6.105 7.506 1.00 0.00 N ATOM 200 CA GLU A 16 -1.550 5.849 7.627 1.00 0.00 C ATOM 201 C GLU A 16 -1.992 4.755 6.667 1.00 0.00 C ATOM 202 O GLU A 16 -2.649 3.795 7.070 1.00 0.00 O ATOM 203 CB GLU A 16 -2.319 7.140 7.353 1.00 0.00 C ATOM 204 CG GLU A 16 -2.108 8.200 8.419 1.00 0.00 C ATOM 205 CD GLU A 16 -2.801 7.855 9.717 1.00 0.00 C ATOM 206 OE1 GLU A 16 -4.023 8.089 9.812 1.00 0.00 O ATOM 207 OE2 GLU A 16 -2.139 7.358 10.648 1.00 0.00 O ATOM 0 H GLU A 16 0.101 7.080 7.312 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.762 5.506 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.012 7.540 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.383 6.913 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.040 8.321 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.480 9.158 8.055 1.00 0.00 H new ATOM 214 N PHE A 17 -1.610 4.897 5.406 1.00 0.00 N ATOM 215 CA PHE A 17 -2.002 3.939 4.382 1.00 0.00 C ATOM 216 C PHE A 17 -1.457 2.544 4.680 1.00 0.00 C ATOM 217 O PHE A 17 -2.228 1.587 4.755 1.00 0.00 O ATOM 218 CB PHE A 17 -1.524 4.403 3.008 1.00 0.00 C ATOM 219 CG PHE A 17 -1.948 3.502 1.880 1.00 0.00 C ATOM 220 CD1 PHE A 17 -3.186 3.660 1.279 1.00 0.00 C ATOM 221 CD2 PHE A 17 -1.109 2.497 1.424 1.00 0.00 C ATOM 222 CE1 PHE A 17 -3.579 2.833 0.244 1.00 0.00 C ATOM 223 CE2 PHE A 17 -1.497 1.668 0.391 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.733 1.836 -0.199 1.00 0.00 C ATOM 0 H PHE A 17 -1.030 5.665 5.068 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.091 3.883 4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.905 5.407 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.436 4.471 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.851 4.438 1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.141 2.361 1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.546 2.966 -0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.834 0.889 0.045 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.038 1.188 -1.007 1.00 0.00 H new ATOM 234 N LEU A 18 -0.137 2.432 4.863 1.00 0.00 N ATOM 235 CA LEU A 18 0.501 1.129 5.023 1.00 0.00 C ATOM 236 C LEU A 18 -0.098 0.346 6.180 1.00 0.00 C ATOM 237 O LEU A 18 -0.540 -0.779 5.991 1.00 0.00 O ATOM 238 CB LEU A 18 2.015 1.261 5.227 1.00 0.00 C ATOM 239 CG LEU A 18 2.811 1.731 4.010 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.268 1.923 4.386 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.691 0.732 2.870 1.00 0.00 C ATOM 0 H LEU A 18 0.504 3.225 4.903 1.00 0.00 H new ATOM 0 HA LEU A 18 0.317 0.582 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.193 1.958 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.406 0.293 5.542 1.00 0.00 H new ATOM 0 HG LEU A 18 2.401 2.684 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.828 2.258 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.345 2.671 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.680 0.978 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.265 1.086 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.078 -0.235 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.644 0.628 2.586 1.00 0.00 H new ATOM 253 N ASN A 19 -0.136 0.945 7.366 1.00 0.00 N ATOM 254 CA ASN A 19 -0.572 0.221 8.557 1.00 0.00 C ATOM 255 C ASN A 19 -2.051 -0.130 8.483 1.00 0.00 C ATOM 256 O ASN A 19 -2.455 -1.225 8.867 1.00 0.00 O ATOM 257 CB ASN A 19 -0.293 1.023 9.827 1.00 0.00 C ATOM 258 CG ASN A 19 -0.483 0.189 11.081 1.00 0.00 C ATOM 259 OD1 ASN A 19 -1.553 0.185 11.687 1.00 0.00 O ATOM 260 ND2 ASN A 19 0.558 -0.530 11.472 1.00 0.00 N ATOM 0 H ASN A 19 0.126 1.917 7.529 1.00 0.00 H new ATOM 0 HA ASN A 19 0.003 -0.704 8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.727 1.405 9.797 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.956 1.887 9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.490 -1.115 12.304 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.428 -0.498 10.941 1.00 0.00 H new ATOM 267 N ARG A 20 -2.860 0.792 7.982 1.00 0.00 N ATOM 268 CA ARG A 20 -4.286 0.538 7.845 1.00 0.00 C ATOM 269 C ARG A 20 -4.537 -0.577 6.839 1.00 0.00 C ATOM 270 O ARG A 20 -5.339 -1.471 7.092 1.00 0.00 O ATOM 271 CB ARG A 20 -5.024 1.813 7.447 1.00 0.00 C ATOM 272 CG ARG A 20 -5.300 2.733 8.627 1.00 0.00 C ATOM 273 CD ARG A 20 -5.573 4.158 8.182 1.00 0.00 C ATOM 274 NE ARG A 20 -6.580 4.236 7.127 1.00 0.00 N ATOM 275 CZ ARG A 20 -6.562 5.160 6.171 1.00 0.00 C ATOM 276 NH1 ARG A 20 -5.573 6.043 6.134 1.00 0.00 N ATOM 277 NH2 ARG A 20 -7.515 5.197 5.248 1.00 0.00 N ATOM 0 H ARG A 20 -2.557 1.714 7.667 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.673 0.214 8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.435 2.351 6.704 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.968 1.547 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.156 2.357 9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.446 2.721 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.904 4.745 9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.646 4.608 7.827 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.333 3.548 7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.833 6.010 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.552 6.755 5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.271 4.512 5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.492 5.910 4.519 1.00 0.00 H new ATOM 291 N PHE A 21 -3.824 -0.536 5.721 1.00 0.00 N ATOM 292 CA PHE A 21 -3.918 -1.576 4.701 1.00 0.00 C ATOM 293 C PHE A 21 -3.419 -2.905 5.268 1.00 0.00 C ATOM 294 O PHE A 21 -4.074 -3.939 5.144 1.00 0.00 O ATOM 295 CB PHE A 21 -3.078 -1.162 3.488 1.00 0.00 C ATOM 296 CG PHE A 21 -3.210 -2.058 2.290 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.411 -2.153 1.608 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.126 -2.793 1.838 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.529 -2.966 0.498 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.237 -3.604 0.727 1.00 0.00 C ATOM 301 CZ PHE A 21 -3.442 -3.691 0.056 1.00 0.00 C ATOM 0 H PHE A 21 -3.169 0.212 5.495 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.956 -1.701 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.359 -0.149 3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.030 -1.129 3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.265 -1.585 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.183 -2.731 2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.472 -3.034 -0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.384 -4.170 0.383 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.532 -4.326 -0.813 1.00 0.00 H new ATOM 311 N TYR A 22 -2.266 -2.829 5.918 1.00 0.00 N ATOM 312 CA TYR A 22 -1.609 -3.962 6.564 1.00 0.00 C ATOM 313 C TYR A 22 -2.563 -4.709 7.502 1.00 0.00 C ATOM 314 O TYR A 22 -2.586 -5.941 7.526 1.00 0.00 O ATOM 315 CB TYR A 22 -0.404 -3.404 7.333 1.00 0.00 C ATOM 316 CG TYR A 22 0.453 -4.401 8.079 1.00 0.00 C ATOM 317 CD1 TYR A 22 1.489 -5.070 7.441 1.00 0.00 C ATOM 318 CD2 TYR A 22 0.260 -4.633 9.433 1.00 0.00 C ATOM 319 CE1 TYR A 22 2.301 -5.949 8.130 1.00 0.00 C ATOM 320 CE2 TYR A 22 1.073 -5.501 10.132 1.00 0.00 C ATOM 321 CZ TYR A 22 2.092 -6.159 9.476 1.00 0.00 C ATOM 322 OH TYR A 22 2.916 -7.014 10.177 1.00 0.00 O ATOM 0 H TYR A 22 -1.747 -1.956 6.014 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.289 -4.688 5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.232 -2.872 6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.770 -2.668 8.049 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.663 -4.900 6.389 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.541 -4.125 9.949 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.096 -6.469 7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.912 -5.664 11.187 1.00 0.00 H new ATOM 0 HH TYR A 22 2.550 -7.922 10.143 1.00 0.00 H new ATOM 332 N LYS A 23 -3.355 -3.963 8.264 1.00 0.00 N ATOM 333 CA LYS A 23 -4.289 -4.568 9.206 1.00 0.00 C ATOM 334 C LYS A 23 -5.594 -4.962 8.524 1.00 0.00 C ATOM 335 O LYS A 23 -6.169 -6.008 8.827 1.00 0.00 O ATOM 336 CB LYS A 23 -4.571 -3.631 10.364 1.00 0.00 C ATOM 337 CG LYS A 23 -3.320 -3.138 11.074 1.00 0.00 C ATOM 338 CD LYS A 23 -2.423 -4.291 11.492 1.00 0.00 C ATOM 339 CE LYS A 23 -2.986 -5.046 12.685 1.00 0.00 C ATOM 340 NZ LYS A 23 -2.096 -6.160 13.105 1.00 0.00 N ATOM 0 H LYS A 23 -3.369 -2.943 8.248 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.820 -5.473 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.131 -2.771 9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.209 -4.142 11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.768 -2.467 10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.604 -2.560 11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.300 -4.977 10.654 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.433 -3.909 11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.124 -4.357 13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.970 -5.442 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.515 -6.650 13.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.984 -6.831 12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.165 -5.780 13.370 1.00 0.00 H new ATOM 354 N SER A 24 -6.047 -4.133 7.588 1.00 0.00 N ATOM 355 CA SER A 24 -7.304 -4.381 6.888 1.00 0.00 C ATOM 356 C SER A 24 -7.261 -5.700 6.134 1.00 0.00 C ATOM 357 O SER A 24 -8.272 -6.381 6.005 1.00 0.00 O ATOM 358 CB SER A 24 -7.620 -3.244 5.912 1.00 0.00 C ATOM 359 OG SER A 24 -7.827 -2.020 6.597 1.00 0.00 O ATOM 0 H SER A 24 -5.563 -3.284 7.297 1.00 0.00 H new ATOM 0 HA SER A 24 -8.090 -4.432 7.641 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.800 -3.132 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.509 -3.495 5.334 1.00 0.00 H new ATOM 0 HG SER A 24 -6.964 -1.658 6.888 1.00 0.00 H new ATOM 365 N LEU A 25 -6.086 -6.068 5.654 1.00 0.00 N ATOM 366 CA LEU A 25 -5.938 -7.290 4.881 1.00 0.00 C ATOM 367 C LEU A 25 -6.099 -8.512 5.769 1.00 0.00 C ATOM 368 O LEU A 25 -6.543 -9.566 5.321 1.00 0.00 O ATOM 369 CB LEU A 25 -4.591 -7.305 4.170 1.00 0.00 C ATOM 370 CG LEU A 25 -4.434 -6.215 3.113 1.00 0.00 C ATOM 371 CD1 LEU A 25 -3.207 -6.481 2.258 1.00 0.00 C ATOM 372 CD2 LEU A 25 -5.695 -6.118 2.256 1.00 0.00 C ATOM 0 H LEU A 25 -5.223 -5.541 5.785 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.724 -7.321 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.799 -7.195 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.452 -8.277 3.698 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.294 -5.257 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.108 -5.695 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.319 -6.493 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.312 -7.445 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.567 -5.336 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.871 -7.072 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.548 -5.877 2.890 1.00 0.00 H new ATOM 384 N ILE A 26 -5.771 -8.357 7.041 1.00 0.00 N ATOM 385 CA ILE A 26 -5.936 -9.436 7.997 1.00 0.00 C ATOM 386 C ILE A 26 -7.392 -9.504 8.435 1.00 0.00 C ATOM 387 O ILE A 26 -8.017 -10.567 8.422 1.00 0.00 O ATOM 388 CB ILE A 26 -5.050 -9.233 9.244 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.609 -8.897 8.845 1.00 0.00 C ATOM 390 CG2 ILE A 26 -5.084 -10.471 10.126 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.916 -9.975 8.036 1.00 0.00 C ATOM 0 H ILE A 26 -5.390 -7.496 7.434 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.636 -10.363 7.509 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.448 -8.391 9.810 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.611 -7.972 8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.029 -8.709 9.749 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.454 -10.312 11.001 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.108 -10.662 10.446 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.714 -11.328 9.564 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.902 -9.655 7.797 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.878 -10.897 8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.469 -10.149 7.113 1.00 0.00 H new ATOM 403 N ASP A 27 -7.924 -8.342 8.799 1.00 0.00 N ATOM 404 CA ASP A 27 -9.303 -8.210 9.261 1.00 0.00 C ATOM 405 C ASP A 27 -10.294 -8.655 8.192 1.00 0.00 C ATOM 406 O ASP A 27 -11.249 -9.381 8.476 1.00 0.00 O ATOM 407 CB ASP A 27 -9.574 -6.756 9.646 1.00 0.00 C ATOM 408 CG ASP A 27 -11.033 -6.484 9.956 1.00 0.00 C ATOM 409 OD1 ASP A 27 -11.430 -6.630 11.131 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.779 -6.101 9.031 1.00 0.00 O ATOM 0 H ASP A 27 -7.410 -7.461 8.782 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.435 -8.855 10.129 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.970 -6.498 10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.254 -6.105 8.832 1.00 0.00 H new ATOM 415 N ARG A 28 -10.057 -8.219 6.965 1.00 0.00 N ATOM 416 CA ARG A 28 -10.936 -8.540 5.850 1.00 0.00 C ATOM 417 C ARG A 28 -10.676 -9.948 5.318 1.00 0.00 C ATOM 418 O ARG A 28 -11.472 -10.486 4.549 1.00 0.00 O ATOM 419 CB ARG A 28 -10.780 -7.506 4.737 1.00 0.00 C ATOM 420 CG ARG A 28 -11.335 -6.134 5.091 1.00 0.00 C ATOM 421 CD ARG A 28 -10.932 -5.090 4.061 1.00 0.00 C ATOM 422 NE ARG A 28 -11.223 -5.531 2.700 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.596 -5.085 1.615 1.00 0.00 C ATOM 424 NH1 ARG A 28 -9.721 -4.091 1.711 1.00 0.00 N ATOM 425 NH2 ARG A 28 -10.865 -5.621 0.434 1.00 0.00 N ATOM 0 H ARG A 28 -9.257 -7.638 6.714 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.963 -8.512 6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.723 -7.407 4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.283 -7.871 3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.422 -6.185 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.972 -5.836 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.460 -4.158 4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.867 -4.879 4.155 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.957 -6.228 2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.528 -3.667 2.619 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.242 -3.751 0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.551 -6.373 0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.387 -5.282 -0.401 1.00 0.00 H new ATOM 439 N GLY A 29 -9.554 -10.535 5.725 1.00 0.00 N ATOM 440 CA GLY A 29 -9.224 -11.888 5.305 1.00 0.00 C ATOM 441 C GLY A 29 -8.727 -11.934 3.876 1.00 0.00 C ATOM 442 O GLY A 29 -8.876 -12.941 3.180 1.00 0.00 O ATOM 0 H GLY A 29 -8.866 -10.098 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.461 -12.297 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.105 -12.523 5.403 1.00 0.00 H new ATOM 446 N VAL A 30 -8.120 -10.842 3.452 1.00 0.00 N ATOM 447 CA VAL A 30 -7.670 -10.675 2.088 1.00 0.00 C ATOM 448 C VAL A 30 -6.176 -10.351 2.070 1.00 0.00 C ATOM 449 O VAL A 30 -5.775 -9.200 2.197 1.00 0.00 O ATOM 450 CB VAL A 30 -8.490 -9.563 1.385 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.707 -8.381 2.313 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.805 -9.099 0.122 1.00 0.00 C ATOM 0 H VAL A 30 -7.925 -10.040 4.052 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.827 -11.605 1.542 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.459 -9.988 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.285 -7.614 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.250 -8.709 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.742 -7.970 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.402 -8.319 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.819 -8.703 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.698 -9.939 -0.564 1.00 0.00 H new ATOM 462 N ASN A 31 -5.346 -11.373 1.943 1.00 0.00 N ATOM 463 CA ASN A 31 -3.911 -11.165 2.029 1.00 0.00 C ATOM 464 C ASN A 31 -3.131 -12.299 1.365 1.00 0.00 C ATOM 465 O ASN A 31 -3.722 -13.246 0.843 1.00 0.00 O ATOM 466 CB ASN A 31 -3.521 -11.045 3.502 1.00 0.00 C ATOM 467 CG ASN A 31 -2.155 -10.427 3.706 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.792 -9.473 2.856 1.00 0.00 O flip ATOM 469 ND2 ASN A 31 -1.430 -10.795 4.629 1.00 0.00 N flip ATOM 0 H ASN A 31 -5.634 -12.338 1.783 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.658 -10.249 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.267 -10.443 4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.537 -12.035 3.958 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.744 -11.531 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.515 -10.364 4.762 1.00 0.00 H new ATOM 476 N PHE A 32 -1.801 -12.159 1.381 1.00 0.00 N ATOM 477 CA PHE A 32 -0.855 -13.163 0.884 1.00 0.00 C ATOM 478 C PHE A 32 -0.789 -13.192 -0.641 1.00 0.00 C ATOM 479 O PHE A 32 0.290 -13.049 -1.215 1.00 0.00 O ATOM 480 CB PHE A 32 -1.173 -14.558 1.431 1.00 0.00 C ATOM 481 CG PHE A 32 -0.016 -15.513 1.320 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.954 -15.549 2.306 1.00 0.00 C ATOM 483 CD2 PHE A 32 0.107 -16.364 0.234 1.00 0.00 C ATOM 484 CE1 PHE A 32 2.026 -16.410 2.217 1.00 0.00 C ATOM 485 CE2 PHE A 32 1.177 -17.232 0.138 1.00 0.00 C ATOM 486 CZ PHE A 32 2.138 -17.255 1.130 1.00 0.00 C ATOM 0 H PHE A 32 -1.342 -11.325 1.748 1.00 0.00 H new ATOM 0 HA PHE A 32 0.127 -12.866 1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.467 -14.473 2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.027 -14.967 0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.870 -14.892 3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.641 -16.349 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.776 -16.424 2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.262 -17.892 -0.712 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.976 -17.933 1.056 1.00 0.00 H new ATOM 496 N SER A 33 -1.932 -13.374 -1.288 1.00 0.00 N ATOM 497 CA SER A 33 -1.989 -13.480 -2.741 1.00 0.00 C ATOM 498 C SER A 33 -1.467 -12.202 -3.403 1.00 0.00 C ATOM 499 O SER A 33 -2.027 -11.119 -3.225 1.00 0.00 O ATOM 500 CB SER A 33 -3.428 -13.752 -3.171 1.00 0.00 C ATOM 501 OG SER A 33 -3.999 -14.799 -2.400 1.00 0.00 O ATOM 0 H SER A 33 -2.838 -13.452 -0.827 1.00 0.00 H new ATOM 0 HA SER A 33 -1.352 -14.305 -3.061 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.023 -12.846 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.452 -14.019 -4.228 1.00 0.00 H new ATOM 0 HG SER A 33 -4.921 -14.955 -2.692 1.00 0.00 H new ATOM 507 N LEU A 34 -0.392 -12.356 -4.175 1.00 0.00 N ATOM 508 CA LEU A 34 0.321 -11.232 -4.788 1.00 0.00 C ATOM 509 C LEU A 34 -0.572 -10.403 -5.708 1.00 0.00 C ATOM 510 O LEU A 34 -0.506 -9.172 -5.702 1.00 0.00 O ATOM 511 CB LEU A 34 1.544 -11.734 -5.567 1.00 0.00 C ATOM 512 CG LEU A 34 2.841 -11.887 -4.759 1.00 0.00 C ATOM 513 CD1 LEU A 34 3.270 -10.551 -4.186 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.685 -12.910 -3.645 1.00 0.00 C ATOM 0 H LEU A 34 0.012 -13.267 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 34 0.644 -10.583 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.298 -12.700 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.732 -11.046 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 34 3.614 -12.246 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.191 -10.678 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.440 -9.845 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.488 -10.168 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.622 -12.993 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.892 -12.592 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.429 -13.879 -4.074 1.00 0.00 H new ATOM 526 N ASP A 35 -1.403 -11.071 -6.499 1.00 0.00 N ATOM 527 CA ASP A 35 -2.301 -10.370 -7.415 1.00 0.00 C ATOM 528 C ASP A 35 -3.437 -9.725 -6.640 1.00 0.00 C ATOM 529 O ASP A 35 -4.012 -8.722 -7.065 1.00 0.00 O ATOM 530 CB ASP A 35 -2.868 -11.319 -8.475 1.00 0.00 C ATOM 531 CG ASP A 35 -1.803 -11.870 -9.402 1.00 0.00 C ATOM 532 OD1 ASP A 35 -1.425 -11.172 -10.368 1.00 0.00 O ATOM 533 OD2 ASP A 35 -1.334 -13.004 -9.166 1.00 0.00 O ATOM 0 H ASP A 35 -1.476 -12.088 -6.527 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.724 -9.598 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.376 -12.147 -7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.618 -10.791 -9.064 1.00 0.00 H new ATOM 538 N THR A 36 -3.738 -10.304 -5.491 1.00 0.00 N ATOM 539 CA THR A 36 -4.791 -9.801 -4.629 1.00 0.00 C ATOM 540 C THR A 36 -4.355 -8.537 -3.904 1.00 0.00 C ATOM 541 O THR A 36 -5.098 -7.559 -3.866 1.00 0.00 O ATOM 542 CB THR A 36 -5.222 -10.882 -3.616 1.00 0.00 C ATOM 543 OG1 THR A 36 -5.932 -11.925 -4.296 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.081 -10.308 -2.502 1.00 0.00 C ATOM 0 H THR A 36 -3.262 -11.131 -5.131 1.00 0.00 H new ATOM 0 HA THR A 36 -5.645 -9.549 -5.257 1.00 0.00 H new ATOM 0 HB THR A 36 -4.320 -11.287 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.203 -12.611 -3.651 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.362 -11.104 -1.812 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.518 -9.544 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.980 -9.864 -2.928 1.00 0.00 H new ATOM 552 N ILE A 37 -3.147 -8.544 -3.356 1.00 0.00 N ATOM 553 CA ILE A 37 -2.618 -7.353 -2.704 1.00 0.00 C ATOM 554 C ILE A 37 -2.589 -6.212 -3.709 1.00 0.00 C ATOM 555 O ILE A 37 -2.825 -5.057 -3.371 1.00 0.00 O ATOM 556 CB ILE A 37 -1.195 -7.572 -2.147 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.112 -8.884 -1.365 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.790 -6.403 -1.260 1.00 0.00 C ATOM 559 CD1 ILE A 37 -2.147 -9.005 -0.272 1.00 0.00 C ATOM 0 H ILE A 37 -2.522 -9.350 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.269 -7.118 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.505 -7.632 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.228 -9.718 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.119 -8.972 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.215 -6.570 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.806 -5.482 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.489 -6.319 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.027 -9.960 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.018 -8.192 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.145 -8.950 -0.708 1.00 0.00 H new ATOM 571 N GLU A 38 -2.326 -6.574 -4.956 1.00 0.00 N ATOM 572 CA GLU A 38 -2.317 -5.632 -6.061 1.00 0.00 C ATOM 573 C GLU A 38 -3.710 -5.046 -6.284 1.00 0.00 C ATOM 574 O GLU A 38 -3.888 -3.829 -6.314 1.00 0.00 O ATOM 575 CB GLU A 38 -1.824 -6.347 -7.319 1.00 0.00 C ATOM 576 CG GLU A 38 -1.715 -5.467 -8.548 1.00 0.00 C ATOM 577 CD GLU A 38 -1.205 -6.243 -9.739 1.00 0.00 C ATOM 578 OE1 GLU A 38 0.028 -6.405 -9.863 1.00 0.00 O ATOM 579 OE2 GLU A 38 -2.037 -6.727 -10.535 1.00 0.00 O ATOM 0 H GLU A 38 -2.112 -7.533 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.646 -4.806 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.846 -6.782 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.500 -7.173 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.691 -5.042 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.045 -4.633 -8.341 1.00 0.00 H new ATOM 586 N LYS A 39 -4.693 -5.929 -6.412 1.00 0.00 N ATOM 587 CA LYS A 39 -6.082 -5.538 -6.612 1.00 0.00 C ATOM 588 C LYS A 39 -6.560 -4.639 -5.476 1.00 0.00 C ATOM 589 O LYS A 39 -7.304 -3.680 -5.688 1.00 0.00 O ATOM 590 CB LYS A 39 -6.957 -6.798 -6.684 1.00 0.00 C ATOM 591 CG LYS A 39 -8.453 -6.541 -6.854 1.00 0.00 C ATOM 592 CD LYS A 39 -8.823 -6.189 -8.289 1.00 0.00 C ATOM 593 CE LYS A 39 -8.468 -4.756 -8.641 1.00 0.00 C ATOM 594 NZ LYS A 39 -8.706 -4.470 -10.081 1.00 0.00 N ATOM 0 H LYS A 39 -4.549 -6.938 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.161 -4.980 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.613 -7.413 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.805 -7.379 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.008 -7.427 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.757 -5.729 -6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.309 -6.866 -8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.892 -6.342 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.060 -4.074 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.421 -4.571 -8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.453 -3.482 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.122 -5.105 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.710 -4.623 -10.304 1.00 0.00 H new ATOM 608 N GLU A 40 -6.104 -4.942 -4.276 1.00 0.00 N ATOM 609 CA GLU A 40 -6.564 -4.242 -3.094 1.00 0.00 C ATOM 610 C GLU A 40 -5.784 -2.963 -2.856 1.00 0.00 C ATOM 611 O GLU A 40 -6.319 -2.021 -2.283 1.00 0.00 O ATOM 612 CB GLU A 40 -6.501 -5.158 -1.878 1.00 0.00 C ATOM 613 CG GLU A 40 -7.387 -6.378 -2.033 1.00 0.00 C ATOM 614 CD GLU A 40 -8.793 -6.015 -2.466 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.455 -5.223 -1.760 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.237 -6.513 -3.519 1.00 0.00 O ATOM 0 H GLU A 40 -5.413 -5.670 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.602 -3.955 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.471 -5.477 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.803 -4.602 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.946 -7.054 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.428 -6.917 -1.087 1.00 0.00 H new ATOM 623 N LEU A 41 -4.532 -2.918 -3.288 1.00 0.00 N ATOM 624 CA LEU A 41 -3.787 -1.666 -3.292 1.00 0.00 C ATOM 625 C LEU A 41 -4.518 -0.658 -4.162 1.00 0.00 C ATOM 626 O LEU A 41 -4.664 0.509 -3.799 1.00 0.00 O ATOM 627 CB LEU A 41 -2.359 -1.874 -3.802 1.00 0.00 C ATOM 628 CG LEU A 41 -1.355 -2.350 -2.752 1.00 0.00 C ATOM 629 CD1 LEU A 41 -0.041 -2.732 -3.408 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.129 -1.267 -1.707 1.00 0.00 C ATOM 0 H LEU A 41 -4.014 -3.725 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.720 -1.291 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.383 -2.600 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.001 -0.935 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.764 -3.231 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.662 -3.068 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.212 -3.536 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.372 -1.867 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.412 -1.620 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.740 -0.371 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.073 -1.033 -1.215 1.00 0.00 H new ATOM 642 N ILE A 42 -4.994 -1.137 -5.302 1.00 0.00 N ATOM 643 CA ILE A 42 -5.807 -0.335 -6.203 1.00 0.00 C ATOM 644 C ILE A 42 -7.100 0.111 -5.518 1.00 0.00 C ATOM 645 O ILE A 42 -7.423 1.300 -5.488 1.00 0.00 O ATOM 646 CB ILE A 42 -6.155 -1.131 -7.481 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.880 -1.526 -8.231 1.00 0.00 C ATOM 648 CG2 ILE A 42 -7.074 -0.322 -8.381 1.00 0.00 C ATOM 649 CD1 ILE A 42 -5.132 -2.387 -9.452 1.00 0.00 C ATOM 0 H ILE A 42 -4.828 -2.089 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.226 0.546 -6.476 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.677 -2.041 -7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.355 -0.621 -8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.220 -2.062 -7.549 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.308 -0.899 -9.276 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.996 -0.091 -7.847 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.579 0.606 -8.667 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.182 -2.626 -9.931 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.629 -3.309 -9.151 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.766 -1.846 -10.154 1.00 0.00 H new ATOM 661 N SER A 43 -7.818 -0.852 -4.955 1.00 0.00 N ATOM 662 CA SER A 43 -9.116 -0.590 -4.336 1.00 0.00 C ATOM 663 C SER A 43 -8.992 0.319 -3.106 1.00 0.00 C ATOM 664 O SER A 43 -9.760 1.274 -2.946 1.00 0.00 O ATOM 665 CB SER A 43 -9.773 -1.916 -3.951 1.00 0.00 C ATOM 666 OG SER A 43 -9.811 -2.801 -5.061 1.00 0.00 O ATOM 0 H SER A 43 -7.524 -1.828 -4.913 1.00 0.00 H new ATOM 0 HA SER A 43 -9.738 -0.066 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.221 -2.376 -3.132 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.785 -1.734 -3.590 1.00 0.00 H new ATOM 0 HG SER A 43 -8.918 -3.177 -5.210 1.00 0.00 H new ATOM 672 N PHE A 44 -8.012 0.037 -2.256 1.00 0.00 N ATOM 673 CA PHE A 44 -7.826 0.780 -1.013 1.00 0.00 C ATOM 674 C PHE A 44 -7.321 2.192 -1.310 1.00 0.00 C ATOM 675 O PHE A 44 -7.564 3.127 -0.548 1.00 0.00 O ATOM 676 CB PHE A 44 -6.840 0.036 -0.105 1.00 0.00 C ATOM 677 CG PHE A 44 -6.988 0.339 1.362 1.00 0.00 C ATOM 678 CD1 PHE A 44 -6.319 1.409 1.934 1.00 0.00 C ATOM 679 CD2 PHE A 44 -7.787 -0.459 2.171 1.00 0.00 C ATOM 680 CE1 PHE A 44 -6.445 1.683 3.282 1.00 0.00 C ATOM 681 CE2 PHE A 44 -7.913 -0.189 3.521 1.00 0.00 C ATOM 682 CZ PHE A 44 -7.243 0.883 4.077 1.00 0.00 C ATOM 0 H PHE A 44 -7.329 -0.706 -2.405 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.784 0.860 -0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.966 -1.036 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.824 0.284 -0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.691 2.036 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.314 -1.298 1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.920 2.522 3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.536 -0.817 4.141 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.343 1.096 5.131 1.00 0.00 H new ATOM 692 N CYS A 45 -6.630 2.337 -2.439 1.00 0.00 N ATOM 693 CA CYS A 45 -6.154 3.638 -2.899 1.00 0.00 C ATOM 694 C CYS A 45 -7.322 4.575 -3.191 1.00 0.00 C ATOM 695 O CYS A 45 -7.183 5.794 -3.135 1.00 0.00 O ATOM 696 CB CYS A 45 -5.296 3.474 -4.156 1.00 0.00 C ATOM 697 SG CYS A 45 -4.918 5.036 -5.014 1.00 0.00 S ATOM 0 H CYS A 45 -6.386 1.562 -3.056 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.549 4.076 -2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.360 2.988 -3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.810 2.808 -4.849 1.00 0.00 H new ATOM 702 N LEU A 46 -8.469 3.997 -3.506 1.00 0.00 N ATOM 703 CA LEU A 46 -9.656 4.780 -3.799 1.00 0.00 C ATOM 704 C LEU A 46 -10.395 5.118 -2.505 1.00 0.00 C ATOM 705 O LEU A 46 -10.910 6.226 -2.346 1.00 0.00 O ATOM 706 CB LEU A 46 -10.551 4.011 -4.788 1.00 0.00 C ATOM 707 CG LEU A 46 -11.772 4.756 -5.359 1.00 0.00 C ATOM 708 CD1 LEU A 46 -12.919 4.803 -4.358 1.00 0.00 C ATOM 709 CD2 LEU A 46 -11.388 6.162 -5.798 1.00 0.00 C ATOM 0 H LEU A 46 -8.603 2.988 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.371 5.722 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.931 3.689 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.908 3.110 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.116 4.201 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.763 5.336 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.223 3.787 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.593 5.319 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.265 6.671 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.005 6.718 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.619 6.105 -6.568 1.00 0.00 H new ATOM 721 N ASP A 47 -10.416 4.175 -1.565 1.00 0.00 N ATOM 722 CA ASP A 47 -11.136 4.366 -0.305 1.00 0.00 C ATOM 723 C ASP A 47 -10.272 5.141 0.689 1.00 0.00 C ATOM 724 O ASP A 47 -9.996 4.682 1.798 1.00 0.00 O ATOM 725 CB ASP A 47 -11.554 3.017 0.291 1.00 0.00 C ATOM 726 CG ASP A 47 -12.637 3.156 1.347 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.828 3.195 0.977 1.00 0.00 O ATOM 728 OD2 ASP A 47 -12.309 3.229 2.553 1.00 0.00 O ATOM 0 H ASP A 47 -9.945 3.274 -1.650 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.037 4.944 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.911 2.366 -0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.682 2.533 0.731 1.00 0.00 H new ATOM 733 N THR A 48 -9.841 6.315 0.266 1.00 0.00 N ATOM 734 CA THR A 48 -9.002 7.186 1.071 1.00 0.00 C ATOM 735 C THR A 48 -9.204 8.633 0.634 1.00 0.00 C ATOM 736 O THR A 48 -10.075 8.909 -0.194 1.00 0.00 O ATOM 737 CB THR A 48 -7.514 6.806 0.937 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.265 6.235 -0.352 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.090 5.827 2.022 1.00 0.00 C ATOM 0 H THR A 48 -10.065 6.695 -0.654 1.00 0.00 H new ATOM 0 HA THR A 48 -9.290 7.070 2.116 1.00 0.00 H new ATOM 0 HB THR A 48 -6.927 7.717 1.052 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.383 5.263 -0.308 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.036 5.580 1.898 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.244 6.280 3.001 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.687 4.918 1.945 1.00 0.00 H new ATOM 747 N LYS A 49 -8.416 9.555 1.172 1.00 0.00 N ATOM 748 CA LYS A 49 -8.530 10.956 0.784 1.00 0.00 C ATOM 749 C LYS A 49 -7.492 11.300 -0.270 1.00 0.00 C ATOM 750 O LYS A 49 -6.607 10.497 -0.545 1.00 0.00 O ATOM 751 CB LYS A 49 -8.353 11.877 1.993 1.00 0.00 C ATOM 752 CG LYS A 49 -9.249 11.555 3.177 1.00 0.00 C ATOM 753 CD LYS A 49 -8.866 12.397 4.384 1.00 0.00 C ATOM 754 CE LYS A 49 -9.691 12.051 5.614 1.00 0.00 C ATOM 755 NZ LYS A 49 -11.131 12.381 5.440 1.00 0.00 N ATOM 0 H LYS A 49 -7.698 9.362 1.871 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.528 11.107 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.314 11.830 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.543 12.904 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.290 11.741 2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.167 10.497 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.809 12.251 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.999 13.452 4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.588 10.988 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.298 12.591 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.640 12.191 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.229 13.386 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.532 11.797 4.679 1.00 0.00 H new ATOM 769 N GLY A 50 -7.596 12.502 -0.831 1.00 0.00 N ATOM 770 CA GLY A 50 -6.757 12.902 -1.952 1.00 0.00 C ATOM 771 C GLY A 50 -5.279 12.629 -1.746 1.00 0.00 C ATOM 772 O GLY A 50 -4.606 12.143 -2.658 1.00 0.00 O ATOM 0 H GLY A 50 -8.256 13.217 -0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.091 12.378 -2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.897 13.967 -2.135 1.00 0.00 H new ATOM 776 N LYS A 51 -4.773 12.928 -0.553 1.00 0.00 N ATOM 777 CA LYS A 51 -3.368 12.682 -0.228 1.00 0.00 C ATOM 778 C LYS A 51 -3.014 11.215 -0.426 1.00 0.00 C ATOM 779 O LYS A 51 -1.980 10.887 -1.001 1.00 0.00 O ATOM 780 CB LYS A 51 -3.062 13.075 1.221 1.00 0.00 C ATOM 781 CG LYS A 51 -2.658 14.528 1.428 1.00 0.00 C ATOM 782 CD LYS A 51 -3.746 15.508 1.022 1.00 0.00 C ATOM 783 CE LYS A 51 -3.567 15.977 -0.411 1.00 0.00 C ATOM 784 NZ LYS A 51 -2.363 16.831 -0.565 1.00 0.00 N ATOM 0 H LYS A 51 -5.314 13.341 0.207 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.768 13.294 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.942 12.869 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.261 12.436 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.408 14.684 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.756 14.735 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.722 15.035 1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.731 16.368 1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.486 15.112 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.450 16.534 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.653 17.798 -0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.832 16.847 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.759 16.446 -1.319 1.00 0.00 H new ATOM 798 N GLU A 52 -3.896 10.347 0.036 1.00 0.00 N ATOM 799 CA GLU A 52 -3.668 8.911 -0.003 1.00 0.00 C ATOM 800 C GLU A 52 -4.027 8.338 -1.371 1.00 0.00 C ATOM 801 O GLU A 52 -3.401 7.384 -1.840 1.00 0.00 O ATOM 802 CB GLU A 52 -4.490 8.247 1.090 1.00 0.00 C ATOM 803 CG GLU A 52 -4.206 8.811 2.471 1.00 0.00 C ATOM 804 CD GLU A 52 -5.381 8.657 3.409 1.00 0.00 C ATOM 805 OE1 GLU A 52 -6.443 9.259 3.142 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.251 7.955 4.427 1.00 0.00 O ATOM 0 H GLU A 52 -4.789 10.616 0.448 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.610 8.712 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.550 8.368 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.285 7.176 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.338 8.307 2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.950 9.867 2.384 1.00 0.00 H new ATOM 813 N ASN A 53 -5.031 8.931 -2.013 1.00 0.00 N ATOM 814 CA ASN A 53 -5.400 8.545 -3.371 1.00 0.00 C ATOM 815 C ASN A 53 -4.217 8.793 -4.297 1.00 0.00 C ATOM 816 O ASN A 53 -3.966 8.026 -5.223 1.00 0.00 O ATOM 817 CB ASN A 53 -6.614 9.337 -3.898 1.00 0.00 C ATOM 818 CG ASN A 53 -7.844 9.304 -3.011 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.622 10.259 -2.993 1.00 0.00 O ATOM 820 ND2 ASN A 53 -8.059 8.213 -2.303 1.00 0.00 N ATOM 0 H ASN A 53 -5.601 9.678 -1.616 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.672 7.490 -3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.316 10.376 -4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.883 8.947 -4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.891 8.141 -1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.394 7.441 -2.341 1.00 0.00 H new ATOM 827 N ARG A 54 -3.489 9.877 -4.041 1.00 0.00 N ATOM 828 CA ARG A 54 -2.294 10.191 -4.812 1.00 0.00 C ATOM 829 C ARG A 54 -1.106 9.397 -4.282 1.00 0.00 C ATOM 830 O ARG A 54 -0.218 9.018 -5.037 1.00 0.00 O ATOM 831 CB ARG A 54 -1.981 11.689 -4.755 1.00 0.00 C ATOM 832 CG ARG A 54 -0.911 12.117 -5.748 1.00 0.00 C ATOM 833 CD ARG A 54 -1.366 11.868 -7.177 1.00 0.00 C ATOM 834 NE ARG A 54 -0.297 12.076 -8.151 1.00 0.00 N ATOM 835 CZ ARG A 54 -0.505 12.188 -9.464 1.00 0.00 C ATOM 836 NH1 ARG A 54 -1.745 12.176 -9.944 1.00 0.00 N ATOM 837 NH2 ARG A 54 0.520 12.331 -10.295 1.00 0.00 N ATOM 0 H ARG A 54 -3.707 10.550 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.480 9.917 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.894 12.252 -4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.656 11.947 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.686 13.175 -5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.011 11.568 -5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.738 10.847 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.199 12.531 -7.410 1.00 0.00 H new ATOM 0 HE ARG A 54 0.662 12.139 -7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.537 12.081 -9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.904 12.262 -10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.472 12.356 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.355 12.416 -11.298 1.00 0.00 H new ATOM 851 N LEU A 55 -1.114 9.154 -2.978 1.00 0.00 N ATOM 852 CA LEU A 55 -0.062 8.398 -2.302 1.00 0.00 C ATOM 853 C LEU A 55 0.218 7.081 -3.017 1.00 0.00 C ATOM 854 O LEU A 55 1.372 6.745 -3.304 1.00 0.00 O ATOM 855 CB LEU A 55 -0.486 8.133 -0.855 1.00 0.00 C ATOM 856 CG LEU A 55 0.486 7.330 0.004 1.00 0.00 C ATOM 857 CD1 LEU A 55 1.719 8.147 0.348 1.00 0.00 C ATOM 858 CD2 LEU A 55 -0.208 6.868 1.267 1.00 0.00 C ATOM 0 H LEU A 55 -1.854 9.477 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 55 0.856 8.985 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.658 9.093 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.441 7.608 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 55 0.811 6.460 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.393 7.548 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.228 8.441 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.422 9.039 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.490 6.295 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.555 7.735 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.060 6.241 1.005 1.00 0.00 H new ATOM 870 N CYS A 56 -0.849 6.367 -3.347 1.00 0.00 N ATOM 871 CA CYS A 56 -0.736 5.038 -3.934 1.00 0.00 C ATOM 872 C CYS A 56 -0.052 5.079 -5.296 1.00 0.00 C ATOM 873 O CYS A 56 0.419 4.053 -5.783 1.00 0.00 O ATOM 874 CB CYS A 56 -2.119 4.398 -4.064 1.00 0.00 C ATOM 875 SG CYS A 56 -2.989 4.833 -5.599 1.00 0.00 S ATOM 0 H CYS A 56 -1.809 6.688 -3.217 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.119 4.435 -3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.014 3.314 -4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.730 4.700 -3.213 1.00 0.00 H new ATOM 880 N TYR A 57 0.007 6.256 -5.911 1.00 0.00 N ATOM 881 CA TYR A 57 0.708 6.403 -7.176 1.00 0.00 C ATOM 882 C TYR A 57 2.185 6.093 -6.990 1.00 0.00 C ATOM 883 O TYR A 57 2.752 5.279 -7.715 1.00 0.00 O ATOM 884 CB TYR A 57 0.542 7.816 -7.748 1.00 0.00 C ATOM 885 CG TYR A 57 -0.794 8.077 -8.406 1.00 0.00 C ATOM 886 CD1 TYR A 57 -1.944 8.239 -7.649 1.00 0.00 C ATOM 887 CD2 TYR A 57 -0.902 8.172 -9.789 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.163 8.488 -8.247 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.118 8.424 -10.394 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.246 8.580 -9.618 1.00 0.00 C ATOM 891 OH TYR A 57 -4.462 8.840 -10.214 1.00 0.00 O ATOM 0 H TYR A 57 -0.418 7.112 -5.556 1.00 0.00 H new ATOM 0 HA TYR A 57 0.273 5.698 -7.884 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.683 8.538 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.332 7.993 -8.478 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.885 8.169 -6.573 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.021 8.047 -10.400 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.049 8.610 -7.641 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.184 8.498 -11.469 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.349 8.874 -11.187 1.00 0.00 H new ATOM 901 N TYR A 58 2.809 6.722 -6.000 1.00 0.00 N ATOM 902 CA TYR A 58 4.239 6.547 -5.817 1.00 0.00 C ATOM 903 C TYR A 58 4.565 5.341 -4.947 1.00 0.00 C ATOM 904 O TYR A 58 5.697 4.863 -4.947 1.00 0.00 O ATOM 905 CB TYR A 58 4.931 7.809 -5.298 1.00 0.00 C ATOM 906 CG TYR A 58 4.122 8.592 -4.313 1.00 0.00 C ATOM 907 CD1 TYR A 58 3.117 9.422 -4.753 1.00 0.00 C ATOM 908 CD2 TYR A 58 4.364 8.504 -2.958 1.00 0.00 C ATOM 909 CE1 TYR A 58 2.357 10.151 -3.865 1.00 0.00 C ATOM 910 CE2 TYR A 58 3.617 9.225 -2.059 1.00 0.00 C ATOM 911 CZ TYR A 58 2.613 10.046 -2.516 1.00 0.00 C ATOM 912 OH TYR A 58 1.851 10.749 -1.617 1.00 0.00 O ATOM 0 H TYR A 58 2.358 7.343 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 58 4.642 6.353 -6.811 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.875 7.527 -4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.173 8.451 -6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.921 9.503 -5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.152 7.859 -2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.569 10.798 -4.223 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.817 9.148 -1.000 1.00 0.00 H new ATOM 0 HH TYR A 58 1.040 11.076 -2.060 1.00 0.00 H new ATOM 922 N LEU A 59 3.576 4.854 -4.203 1.00 0.00 N ATOM 923 CA LEU A 59 3.758 3.638 -3.416 1.00 0.00 C ATOM 924 C LEU A 59 3.666 2.405 -4.301 1.00 0.00 C ATOM 925 O LEU A 59 4.308 1.391 -4.041 1.00 0.00 O ATOM 926 CB LEU A 59 2.721 3.528 -2.295 1.00 0.00 C ATOM 927 CG LEU A 59 2.910 4.479 -1.116 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.889 4.170 -0.034 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.322 4.371 -0.560 1.00 0.00 C ATOM 0 H LEU A 59 2.651 5.277 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 59 4.750 3.695 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.733 3.701 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.730 2.506 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 59 2.759 5.501 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.030 4.852 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.884 4.292 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.020 3.143 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.436 5.057 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.503 3.351 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.040 4.628 -1.339 1.00 0.00 H new ATOM 941 N GLY A 60 2.865 2.508 -5.349 1.00 0.00 N ATOM 942 CA GLY A 60 2.675 1.391 -6.243 1.00 0.00 C ATOM 943 C GLY A 60 1.321 0.748 -6.060 1.00 0.00 C ATOM 944 O GLY A 60 1.155 -0.143 -5.231 1.00 0.00 O ATOM 0 H GLY A 60 2.342 3.349 -5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.780 1.729 -7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.455 0.650 -6.069 1.00 0.00 H new ATOM 948 N ALA A 61 0.350 1.214 -6.825 1.00 0.00 N ATOM 949 CA ALA A 61 -0.996 0.668 -6.775 1.00 0.00 C ATOM 950 C ALA A 61 -1.748 1.021 -8.045 1.00 0.00 C ATOM 951 O ALA A 61 -2.279 0.152 -8.730 1.00 0.00 O ATOM 952 CB ALA A 61 -1.742 1.189 -5.557 1.00 0.00 C ATOM 0 H ALA A 61 0.469 1.975 -7.493 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.927 -0.417 -6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.747 0.768 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.210 0.897 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.805 2.276 -5.606 1.00 0.00 H new ATOM 958 N THR A 62 -1.776 2.306 -8.362 1.00 0.00 N ATOM 959 CA THR A 62 -2.427 2.772 -9.568 1.00 0.00 C ATOM 960 C THR A 62 -1.502 2.615 -10.772 1.00 0.00 C ATOM 961 O THR A 62 -0.300 2.874 -10.689 1.00 0.00 O ATOM 962 CB THR A 62 -2.872 4.239 -9.419 1.00 0.00 C ATOM 963 OG1 THR A 62 -1.870 4.986 -8.718 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.191 4.331 -8.666 1.00 0.00 C ATOM 0 H THR A 62 -1.354 3.043 -7.797 1.00 0.00 H new ATOM 0 HA THR A 62 -3.315 2.161 -9.731 1.00 0.00 H new ATOM 0 HB THR A 62 -3.008 4.656 -10.417 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.092 5.016 -7.764 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.485 5.377 -8.573 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.960 3.785 -9.212 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.074 3.898 -7.673 1.00 0.00 H new ATOM 972 N LYS A 63 -2.072 2.188 -11.891 1.00 0.00 N ATOM 973 CA LYS A 63 -1.295 1.887 -13.088 1.00 0.00 C ATOM 974 C LYS A 63 -0.979 3.153 -13.877 1.00 0.00 C ATOM 975 O LYS A 63 -0.430 3.095 -14.978 1.00 0.00 O ATOM 976 CB LYS A 63 -2.049 0.886 -13.964 1.00 0.00 C ATOM 977 CG LYS A 63 -2.236 -0.471 -13.304 1.00 0.00 C ATOM 978 CD LYS A 63 -3.082 -1.400 -14.159 1.00 0.00 C ATOM 979 CE LYS A 63 -4.493 -0.864 -14.333 1.00 0.00 C ATOM 980 NZ LYS A 63 -5.337 -1.775 -15.148 1.00 0.00 N ATOM 0 H LYS A 63 -3.076 2.041 -11.996 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.348 1.445 -12.776 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.027 1.298 -14.215 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.508 0.755 -14.901 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.262 -0.926 -13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.709 -0.340 -12.331 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.615 -1.523 -15.136 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.121 -2.387 -13.698 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.951 -0.724 -13.354 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.453 0.116 -14.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.291 -1.372 -15.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.914 -1.889 -16.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.397 -2.703 -14.681 1.00 0.00 H new ATOM 994 N ASP A 64 -1.328 4.296 -13.306 1.00 0.00 N ATOM 995 CA ASP A 64 -0.991 5.583 -13.898 1.00 0.00 C ATOM 996 C ASP A 64 0.354 6.068 -13.388 1.00 0.00 C ATOM 997 O ASP A 64 0.773 7.186 -13.677 1.00 0.00 O ATOM 998 CB ASP A 64 -2.062 6.630 -13.586 1.00 0.00 C ATOM 999 CG ASP A 64 -3.266 6.520 -14.492 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -3.226 7.085 -15.603 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -4.260 5.872 -14.099 1.00 0.00 O ATOM 0 H ASP A 64 -1.847 4.359 -12.430 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.939 5.446 -14.978 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.381 6.520 -12.550 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.630 7.626 -13.682 1.00 0.00 H new ATOM 1006 N ALA A 65 1.025 5.225 -12.622 1.00 0.00 N ATOM 1007 CA ALA A 65 2.315 5.574 -12.059 1.00 0.00 C ATOM 1008 C ALA A 65 3.271 4.390 -12.117 1.00 0.00 C ATOM 1009 O ALA A 65 3.157 3.538 -13.000 1.00 0.00 O ATOM 1010 CB ALA A 65 2.147 6.054 -10.629 1.00 0.00 C ATOM 0 H ALA A 65 0.695 4.292 -12.376 1.00 0.00 H new ATOM 0 HA ALA A 65 2.744 6.382 -12.653 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.122 6.314 -10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.501 6.932 -10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.698 5.262 -10.030 1.00 0.00 H new ATOM 1016 N ALA A 66 4.214 4.350 -11.185 1.00 0.00 N ATOM 1017 CA ALA A 66 5.192 3.276 -11.125 1.00 0.00 C ATOM 1018 C ALA A 66 4.519 1.944 -10.811 1.00 0.00 C ATOM 1019 O ALA A 66 4.027 1.724 -9.703 1.00 0.00 O ATOM 1020 CB ALA A 66 6.258 3.594 -10.089 1.00 0.00 C ATOM 0 H ALA A 66 4.321 5.055 -10.456 1.00 0.00 H new ATOM 0 HA ALA A 66 5.668 3.190 -12.102 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.985 2.782 -10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.763 4.521 -10.359 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.792 3.707 -9.110 1.00 0.00 H new ATOM 1026 N THR A 67 4.503 1.060 -11.793 1.00 0.00 N ATOM 1027 CA THR A 67 3.865 -0.234 -11.649 1.00 0.00 C ATOM 1028 C THR A 67 4.803 -1.250 -11.005 1.00 0.00 C ATOM 1029 O THR A 67 4.364 -2.276 -10.485 1.00 0.00 O ATOM 1030 CB THR A 67 3.403 -0.759 -13.017 1.00 0.00 C ATOM 1031 OG1 THR A 67 4.372 -0.413 -14.019 1.00 0.00 O ATOM 1032 CG2 THR A 67 2.044 -0.186 -13.394 1.00 0.00 C ATOM 0 H THR A 67 4.929 1.218 -12.706 1.00 0.00 H new ATOM 0 HA THR A 67 3.000 -0.102 -10.998 1.00 0.00 H new ATOM 0 HB THR A 67 3.310 -1.843 -12.955 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.076 -0.750 -14.890 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.742 -0.575 -14.367 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.307 -0.473 -12.644 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.108 0.901 -13.442 1.00 0.00 H new ATOM 1040 N LYS A 68 6.096 -0.960 -11.041 1.00 0.00 N ATOM 1041 CA LYS A 68 7.098 -1.873 -10.508 1.00 0.00 C ATOM 1042 C LYS A 68 7.060 -1.906 -8.984 1.00 0.00 C ATOM 1043 O LYS A 68 7.039 -2.978 -8.379 1.00 0.00 O ATOM 1044 CB LYS A 68 8.492 -1.465 -10.985 1.00 0.00 C ATOM 1045 CG LYS A 68 9.588 -2.407 -10.521 1.00 0.00 C ATOM 1046 CD LYS A 68 10.946 -2.002 -11.068 1.00 0.00 C ATOM 1047 CE LYS A 68 11.009 -2.143 -12.582 1.00 0.00 C ATOM 1048 NZ LYS A 68 10.736 -3.536 -13.020 1.00 0.00 N ATOM 0 H LYS A 68 6.476 -0.099 -11.434 1.00 0.00 H new ATOM 0 HA LYS A 68 6.870 -2.873 -10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.497 -1.422 -12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.711 -0.460 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.623 -2.416 -9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.355 -3.422 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.157 -0.969 -10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.720 -2.619 -10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.284 -1.470 -13.040 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.994 -1.838 -12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.063 -3.662 -13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.240 -4.200 -12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.714 -3.722 -12.970 1.00 0.00 H new ATOM 1062 N ILE A 69 7.023 -0.728 -8.374 1.00 0.00 N ATOM 1063 CA ILE A 69 7.057 -0.612 -6.919 1.00 0.00 C ATOM 1064 C ILE A 69 5.793 -1.211 -6.287 1.00 0.00 C ATOM 1065 O ILE A 69 5.768 -1.526 -5.100 1.00 0.00 O ATOM 1066 CB ILE A 69 7.240 0.863 -6.486 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.404 0.970 -4.967 1.00 0.00 C ATOM 1068 CG2 ILE A 69 6.075 1.716 -6.967 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.657 2.379 -4.479 1.00 0.00 C ATOM 0 H ILE A 69 6.969 0.164 -8.865 1.00 0.00 H new ATOM 0 HA ILE A 69 7.915 -1.181 -6.560 1.00 0.00 H new ATOM 0 HB ILE A 69 8.151 1.241 -6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.505 0.584 -4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.231 0.333 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.225 2.748 -6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.018 1.674 -8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.146 1.337 -6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.762 2.375 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.572 2.762 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.819 3.017 -4.760 1.00 0.00 H new ATOM 1081 N LEU A 70 4.763 -1.398 -7.109 1.00 0.00 N ATOM 1082 CA LEU A 70 3.534 -2.061 -6.683 1.00 0.00 C ATOM 1083 C LEU A 70 3.869 -3.428 -6.083 1.00 0.00 C ATOM 1084 O LEU A 70 3.400 -3.785 -5.002 1.00 0.00 O ATOM 1085 CB LEU A 70 2.603 -2.217 -7.897 1.00 0.00 C ATOM 1086 CG LEU A 70 1.101 -2.315 -7.602 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.307 -2.289 -8.899 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.776 -3.572 -6.816 1.00 0.00 C ATOM 0 H LEU A 70 4.757 -1.096 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 70 3.031 -1.464 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.765 -1.369 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.902 -3.112 -8.443 1.00 0.00 H new ATOM 0 HG LEU A 70 0.821 -1.454 -6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.758 -2.359 -8.675 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.506 -1.357 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.603 -3.132 -9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.296 -3.613 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.075 -4.448 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.316 -3.559 -5.869 1.00 0.00 H new ATOM 1100 N SER A 71 4.723 -4.168 -6.782 1.00 0.00 N ATOM 1101 CA SER A 71 5.125 -5.497 -6.349 1.00 0.00 C ATOM 1102 C SER A 71 5.969 -5.421 -5.078 1.00 0.00 C ATOM 1103 O SER A 71 6.019 -6.364 -4.288 1.00 0.00 O ATOM 1104 CB SER A 71 5.914 -6.177 -7.464 1.00 0.00 C ATOM 1105 OG SER A 71 5.249 -6.037 -8.707 1.00 0.00 O ATOM 0 H SER A 71 5.152 -3.865 -7.657 1.00 0.00 H new ATOM 0 HA SER A 71 4.231 -6.080 -6.128 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.911 -5.741 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.043 -7.234 -7.232 1.00 0.00 H new ATOM 0 HG SER A 71 5.772 -6.478 -9.409 1.00 0.00 H new ATOM 1111 N GLU A 72 6.617 -4.283 -4.877 1.00 0.00 N ATOM 1112 CA GLU A 72 7.467 -4.088 -3.714 1.00 0.00 C ATOM 1113 C GLU A 72 6.628 -3.905 -2.457 1.00 0.00 C ATOM 1114 O GLU A 72 7.138 -4.020 -1.347 1.00 0.00 O ATOM 1115 CB GLU A 72 8.397 -2.892 -3.920 1.00 0.00 C ATOM 1116 CG GLU A 72 9.397 -3.102 -5.043 1.00 0.00 C ATOM 1117 CD GLU A 72 10.193 -4.378 -4.861 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.124 -4.390 -4.031 1.00 0.00 O ATOM 1119 OE2 GLU A 72 9.883 -5.385 -5.536 1.00 0.00 O ATOM 0 H GLU A 72 6.570 -3.481 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 72 8.080 -4.980 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.799 -2.007 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.936 -2.695 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.870 -3.136 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.078 -2.252 -5.086 1.00 0.00 H new ATOM 1126 N VAL A 73 5.353 -3.578 -2.639 1.00 0.00 N ATOM 1127 CA VAL A 73 4.405 -3.543 -1.534 1.00 0.00 C ATOM 1128 C VAL A 73 3.756 -4.917 -1.328 1.00 0.00 C ATOM 1129 O VAL A 73 3.695 -5.433 -0.209 1.00 0.00 O ATOM 1130 CB VAL A 73 3.307 -2.481 -1.759 1.00 0.00 C ATOM 1131 CG1 VAL A 73 2.384 -2.395 -0.554 1.00 0.00 C ATOM 1132 CG2 VAL A 73 3.928 -1.125 -2.052 1.00 0.00 C ATOM 0 H VAL A 73 4.953 -3.333 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 73 4.966 -3.273 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 73 2.714 -2.783 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.618 -1.640 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.909 -3.362 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.962 -2.121 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.139 -0.389 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.548 -0.819 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.543 -1.193 -2.949 1.00 0.00 H new ATOM 1142 N THR A 74 3.294 -5.514 -2.424 1.00 0.00 N ATOM 1143 CA THR A 74 2.553 -6.775 -2.376 1.00 0.00 C ATOM 1144 C THR A 74 3.363 -7.905 -1.736 1.00 0.00 C ATOM 1145 O THR A 74 2.811 -8.707 -0.982 1.00 0.00 O ATOM 1146 CB THR A 74 2.107 -7.204 -3.790 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.241 -7.296 -4.658 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.112 -6.214 -4.370 1.00 0.00 C ATOM 0 H THR A 74 3.421 -5.142 -3.365 1.00 0.00 H new ATOM 0 HA THR A 74 1.677 -6.594 -1.753 1.00 0.00 H new ATOM 0 HB THR A 74 1.627 -8.179 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.028 -6.925 -4.208 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.814 -6.539 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.233 -6.162 -3.727 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.574 -5.229 -4.433 1.00 0.00 H new ATOM 1156 N ARG A 75 4.662 -7.974 -2.031 1.00 0.00 N ATOM 1157 CA ARG A 75 5.507 -9.025 -1.462 1.00 0.00 C ATOM 1158 C ARG A 75 5.557 -8.950 0.071 1.00 0.00 C ATOM 1159 O ARG A 75 5.270 -9.940 0.736 1.00 0.00 O ATOM 1160 CB ARG A 75 6.927 -9.002 -2.042 1.00 0.00 C ATOM 1161 CG ARG A 75 7.160 -10.051 -3.117 1.00 0.00 C ATOM 1162 CD ARG A 75 6.730 -9.569 -4.490 1.00 0.00 C ATOM 1163 NE ARG A 75 7.662 -8.586 -5.035 1.00 0.00 N ATOM 1164 CZ ARG A 75 8.096 -8.594 -6.293 1.00 0.00 C ATOM 1165 NH1 ARG A 75 7.691 -9.539 -7.133 1.00 0.00 N ATOM 1166 NH2 ARG A 75 8.936 -7.656 -6.718 1.00 0.00 N ATOM 0 H ARG A 75 5.146 -7.325 -2.651 1.00 0.00 H new ATOM 0 HA ARG A 75 5.046 -9.972 -1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.124 -8.015 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.643 -9.155 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.217 -10.316 -3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.610 -10.957 -2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.660 -10.419 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.734 -9.130 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 75 8.000 -7.850 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.045 -10.262 -6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.025 -9.542 -8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.251 -6.926 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.266 -7.666 -7.683 1.00 0.00 H new ATOM 1180 N PRO A 76 5.941 -7.803 0.671 1.00 0.00 N ATOM 1181 CA PRO A 76 5.940 -7.672 2.130 1.00 0.00 C ATOM 1182 C PRO A 76 4.557 -7.850 2.735 1.00 0.00 C ATOM 1183 O PRO A 76 4.404 -8.525 3.753 1.00 0.00 O ATOM 1184 CB PRO A 76 6.456 -6.255 2.390 1.00 0.00 C ATOM 1185 CG PRO A 76 6.369 -5.548 1.086 1.00 0.00 C ATOM 1186 CD PRO A 76 6.469 -6.599 0.018 1.00 0.00 C ATOM 0 HA PRO A 76 6.555 -8.445 2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.855 -5.753 3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.482 -6.274 2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.430 -5.001 1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.172 -4.818 0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.886 -6.332 -0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.498 -6.740 -0.311 1.00 0.00 H new ATOM 1194 N MET A 77 3.552 -7.265 2.094 1.00 0.00 N ATOM 1195 CA MET A 77 2.180 -7.369 2.575 1.00 0.00 C ATOM 1196 C MET A 77 1.700 -8.812 2.522 1.00 0.00 C ATOM 1197 O MET A 77 0.759 -9.178 3.213 1.00 0.00 O ATOM 1198 CB MET A 77 1.241 -6.480 1.758 1.00 0.00 C ATOM 1199 CG MET A 77 1.475 -4.993 1.961 1.00 0.00 C ATOM 1200 SD MET A 77 1.169 -4.463 3.656 1.00 0.00 S ATOM 1201 CE MET A 77 1.607 -2.730 3.550 1.00 0.00 C ATOM 0 H MET A 77 3.661 -6.715 1.242 1.00 0.00 H new ATOM 0 HA MET A 77 2.166 -7.028 3.610 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.360 -6.716 0.701 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.210 -6.716 2.023 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.503 -4.751 1.689 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.827 -4.433 1.287 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.470 -2.260 4.524 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.649 -2.636 3.245 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.968 -2.237 2.817 1.00 0.00 H new ATOM 1211 N SER A 78 2.358 -9.625 1.704 1.00 0.00 N ATOM 1212 CA SER A 78 2.028 -11.037 1.587 1.00 0.00 C ATOM 1213 C SER A 78 2.198 -11.740 2.935 1.00 0.00 C ATOM 1214 O SER A 78 1.526 -12.732 3.217 1.00 0.00 O ATOM 1215 CB SER A 78 2.917 -11.693 0.522 1.00 0.00 C ATOM 1216 OG SER A 78 2.580 -13.054 0.314 1.00 0.00 O ATOM 0 H SER A 78 3.130 -9.325 1.108 1.00 0.00 H new ATOM 0 HA SER A 78 0.986 -11.132 1.283 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.820 -11.148 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.961 -11.620 0.826 1.00 0.00 H new ATOM 0 HG SER A 78 1.739 -13.110 -0.187 1.00 0.00 H new ATOM 1222 N VAL A 79 3.081 -11.213 3.775 1.00 0.00 N ATOM 1223 CA VAL A 79 3.288 -11.777 5.094 1.00 0.00 C ATOM 1224 C VAL A 79 3.162 -10.694 6.184 1.00 0.00 C ATOM 1225 O VAL A 79 2.072 -10.489 6.711 1.00 0.00 O ATOM 1226 CB VAL A 79 4.627 -12.564 5.175 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.820 -11.725 4.728 1.00 0.00 C ATOM 1228 CG2 VAL A 79 4.843 -13.133 6.569 1.00 0.00 C ATOM 0 H VAL A 79 3.660 -10.400 3.564 1.00 0.00 H new ATOM 0 HA VAL A 79 2.498 -12.504 5.281 1.00 0.00 H new ATOM 0 HB VAL A 79 4.550 -13.397 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.731 -12.319 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.676 -11.410 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.906 -10.846 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.786 -13.678 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.872 -12.319 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.025 -13.810 6.816 1.00 0.00 H new ATOM 1238 N HIS A 80 4.250 -9.995 6.503 1.00 0.00 N ATOM 1239 CA HIS A 80 4.224 -8.904 7.483 1.00 0.00 C ATOM 1240 C HIS A 80 5.300 -7.879 7.131 1.00 0.00 C ATOM 1241 O HIS A 80 5.007 -6.841 6.540 1.00 0.00 O ATOM 1242 CB HIS A 80 4.449 -9.426 8.912 1.00 0.00 C ATOM 1243 CG HIS A 80 3.328 -10.266 9.450 1.00 0.00 C ATOM 1244 ND1 HIS A 80 2.030 -9.964 9.701 1.00 0.00 N flip ATOM 1245 CD2 HIS A 80 3.484 -11.587 9.803 1.00 0.00 C flip ATOM 1246 CE1 HIS A 80 1.437 -11.098 10.197 1.00 0.00 C flip ATOM 1247 NE2 HIS A 80 2.336 -12.060 10.248 1.00 0.00 N flip ATOM 0 H HIS A 80 5.169 -10.165 6.095 1.00 0.00 H new ATOM 0 HA HIS A 80 3.240 -8.437 7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.367 -10.013 8.931 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.600 -8.575 9.577 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.403 -12.149 9.727 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.403 -11.187 10.496 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.172 -13.011 10.577 1.00 0.00 H new ATOM 1256 N MET A 81 6.541 -8.188 7.505 1.00 0.00 N ATOM 1257 CA MET A 81 7.717 -7.449 7.041 1.00 0.00 C ATOM 1258 C MET A 81 7.831 -6.006 7.585 1.00 0.00 C ATOM 1259 O MET A 81 6.904 -5.461 8.189 1.00 0.00 O ATOM 1260 CB MET A 81 7.751 -7.458 5.504 1.00 0.00 C ATOM 1261 CG MET A 81 8.380 -8.720 4.929 1.00 0.00 C ATOM 1262 SD MET A 81 8.805 -8.567 3.182 1.00 0.00 S ATOM 1263 CE MET A 81 9.927 -7.171 3.222 1.00 0.00 C ATOM 0 H MET A 81 6.761 -8.957 8.138 1.00 0.00 H new ATOM 0 HA MET A 81 8.585 -7.968 7.447 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.734 -7.360 5.123 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.308 -6.589 5.154 1.00 0.00 H new ATOM 0 HG2 MET A 81 9.279 -8.961 5.496 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.690 -9.554 5.057 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.317 -6.989 2.221 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.395 -6.286 3.571 1.00 0.00 H new ATOM 0 HE3 MET A 81 10.753 -7.388 3.899 1.00 0.00 H new ATOM 1273 N PRO A 82 9.041 -5.418 7.378 1.00 0.00 N ATOM 1274 CA PRO A 82 9.450 -4.035 7.739 1.00 0.00 C ATOM 1275 C PRO A 82 8.452 -2.881 7.523 1.00 0.00 C ATOM 1276 O PRO A 82 8.807 -1.765 7.831 1.00 0.00 O ATOM 1277 CB PRO A 82 10.663 -3.809 6.850 1.00 0.00 C ATOM 1278 CG PRO A 82 11.324 -5.130 6.811 1.00 0.00 C ATOM 1279 CD PRO A 82 10.214 -6.142 6.814 1.00 0.00 C ATOM 0 HA PRO A 82 9.590 -3.998 8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.372 -3.478 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.322 -3.044 7.260 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.943 -5.231 5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.979 -5.265 7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.008 -6.506 5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.472 -7.010 7.420 1.00 0.00 H new ATOM 1287 N ALA A 83 7.243 -3.136 6.999 1.00 0.00 N ATOM 1288 CA ALA A 83 6.401 -2.129 6.294 1.00 0.00 C ATOM 1289 C ALA A 83 6.484 -0.687 6.830 1.00 0.00 C ATOM 1290 O ALA A 83 6.629 0.241 6.026 1.00 0.00 O ATOM 1291 CB ALA A 83 4.950 -2.588 6.308 1.00 0.00 C ATOM 0 H ALA A 83 6.808 -4.057 7.048 1.00 0.00 H new ATOM 0 HA ALA A 83 6.808 -2.079 5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.331 -1.853 5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.868 -3.550 5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.610 -2.690 7.339 1.00 0.00 H new ATOM 1297 N MET A 84 6.412 -0.483 8.143 1.00 0.00 N ATOM 1298 CA MET A 84 6.610 0.862 8.721 1.00 0.00 C ATOM 1299 C MET A 84 7.920 1.455 8.205 1.00 0.00 C ATOM 1300 O MET A 84 7.970 2.546 7.636 1.00 0.00 O ATOM 1301 CB MET A 84 6.690 0.781 10.246 1.00 0.00 C ATOM 1302 CG MET A 84 5.733 -0.217 10.863 1.00 0.00 C ATOM 1303 SD MET A 84 6.560 -1.303 12.042 1.00 0.00 S ATOM 1304 CE MET A 84 7.828 -2.021 10.992 1.00 0.00 C ATOM 0 H MET A 84 6.221 -1.215 8.827 1.00 0.00 H new ATOM 0 HA MET A 84 5.766 1.488 8.429 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.708 0.517 10.532 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.488 1.768 10.663 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.926 0.317 11.365 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.277 -0.817 10.076 1.00 0.00 H new ATOM 0 HE1 MET A 84 8.215 -2.928 11.457 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.400 -2.265 10.020 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.640 -1.306 10.861 1.00 0.00 H new ATOM 1314 N LYS A 85 8.962 0.677 8.396 1.00 0.00 N ATOM 1315 CA LYS A 85 10.311 1.002 7.980 1.00 0.00 C ATOM 1316 C LYS A 85 10.483 0.809 6.465 1.00 0.00 C ATOM 1317 O LYS A 85 11.412 1.344 5.864 1.00 0.00 O ATOM 1318 CB LYS A 85 11.259 0.110 8.792 1.00 0.00 C ATOM 1319 CG LYS A 85 12.613 -0.163 8.172 1.00 0.00 C ATOM 1320 CD LYS A 85 13.401 -1.124 9.046 1.00 0.00 C ATOM 1321 CE LYS A 85 14.556 -1.754 8.294 1.00 0.00 C ATOM 1322 NZ LYS A 85 15.554 -0.742 7.852 1.00 0.00 N ATOM 0 H LYS A 85 8.893 -0.229 8.860 1.00 0.00 H new ATOM 0 HA LYS A 85 10.538 2.051 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.415 0.573 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.764 -0.845 8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.487 -0.585 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.164 0.770 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.782 -0.592 9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.738 -1.907 9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.045 -2.490 8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.173 -2.289 7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.359 -1.222 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.112 -0.094 7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.889 -0.202 8.675 1.00 0.00 H new ATOM 1336 N ILE A 86 9.574 0.058 5.842 1.00 0.00 N ATOM 1337 CA ILE A 86 9.595 -0.107 4.388 1.00 0.00 C ATOM 1338 C ILE A 86 9.429 1.236 3.705 1.00 0.00 C ATOM 1339 O ILE A 86 10.106 1.527 2.720 1.00 0.00 O ATOM 1340 CB ILE A 86 8.503 -1.079 3.874 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.889 -2.520 4.195 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.270 -0.910 2.375 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.929 -3.547 3.644 1.00 0.00 C ATOM 0 H ILE A 86 8.821 -0.441 6.316 1.00 0.00 H new ATOM 0 HA ILE A 86 10.564 -0.541 4.141 1.00 0.00 H new ATOM 0 HB ILE A 86 7.570 -0.840 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.884 -2.717 3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.950 -2.637 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.498 -1.606 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.949 0.111 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.196 -1.114 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.271 -4.546 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.936 -3.378 4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.886 -3.459 2.558 1.00 0.00 H new ATOM 1355 N CYS A 87 8.549 2.062 4.246 1.00 0.00 N ATOM 1356 CA CYS A 87 8.312 3.379 3.678 1.00 0.00 C ATOM 1357 C CYS A 87 9.543 4.265 3.839 1.00 0.00 C ATOM 1358 O CYS A 87 9.717 5.248 3.123 1.00 0.00 O ATOM 1359 CB CYS A 87 7.087 4.025 4.322 1.00 0.00 C ATOM 1360 SG CYS A 87 6.471 5.490 3.439 1.00 0.00 S ATOM 0 H CYS A 87 7.990 1.846 5.072 1.00 0.00 H new ATOM 0 HA CYS A 87 8.117 3.265 2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.288 3.286 4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.334 4.308 5.345 1.00 0.00 H new ATOM 1365 N GLU A 88 10.402 3.892 4.769 1.00 0.00 N ATOM 1366 CA GLU A 88 11.675 4.560 4.947 1.00 0.00 C ATOM 1367 C GLU A 88 12.662 4.081 3.891 1.00 0.00 C ATOM 1368 O GLU A 88 13.431 4.859 3.333 1.00 0.00 O ATOM 1369 CB GLU A 88 12.221 4.248 6.326 1.00 0.00 C ATOM 1370 CG GLU A 88 11.346 4.739 7.463 1.00 0.00 C ATOM 1371 CD GLU A 88 11.994 4.522 8.812 1.00 0.00 C ATOM 1372 OE1 GLU A 88 12.826 5.362 9.215 1.00 0.00 O ATOM 1373 OE2 GLU A 88 11.694 3.501 9.464 1.00 0.00 O ATOM 0 H GLU A 88 10.238 3.122 5.418 1.00 0.00 H new ATOM 0 HA GLU A 88 11.533 5.636 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.348 3.170 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.210 4.695 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.138 5.800 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.388 4.220 7.433 1.00 0.00 H new ATOM 1380 N LYS A 89 12.623 2.784 3.620 1.00 0.00 N ATOM 1381 CA LYS A 89 13.480 2.179 2.611 1.00 0.00 C ATOM 1382 C LYS A 89 13.079 2.664 1.224 1.00 0.00 C ATOM 1383 O LYS A 89 13.913 2.791 0.325 1.00 0.00 O ATOM 1384 CB LYS A 89 13.388 0.654 2.684 1.00 0.00 C ATOM 1385 CG LYS A 89 13.673 0.101 4.070 1.00 0.00 C ATOM 1386 CD LYS A 89 13.671 -1.422 4.111 1.00 0.00 C ATOM 1387 CE LYS A 89 12.293 -2.023 3.857 1.00 0.00 C ATOM 1388 NZ LYS A 89 11.972 -2.118 2.405 1.00 0.00 N ATOM 0 H LYS A 89 12.001 2.126 4.090 1.00 0.00 H new ATOM 0 HA LYS A 89 14.511 2.476 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.391 0.342 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.093 0.220 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.642 0.468 4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.926 0.479 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.370 -1.801 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.032 -1.754 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.246 -3.017 4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.537 -1.415 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.251 -1.409 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.832 -1.943 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.608 -3.069 2.191 1.00 0.00 H new ATOM 1402 N LEU A 90 11.793 2.952 1.070 1.00 0.00 N ATOM 1403 CA LEU A 90 11.253 3.454 -0.186 1.00 0.00 C ATOM 1404 C LEU A 90 11.778 4.839 -0.504 1.00 0.00 C ATOM 1405 O LEU A 90 11.719 5.285 -1.649 1.00 0.00 O ATOM 1406 CB LEU A 90 9.727 3.480 -0.138 1.00 0.00 C ATOM 1407 CG LEU A 90 9.069 2.131 -0.392 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.554 2.262 -0.407 1.00 0.00 C ATOM 1409 CD2 LEU A 90 9.581 1.569 -1.703 1.00 0.00 C ATOM 0 H LEU A 90 11.098 2.845 1.809 1.00 0.00 H new ATOM 0 HA LEU A 90 11.579 2.777 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.412 3.846 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.364 4.193 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 90 9.327 1.445 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.106 1.285 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.212 2.643 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.256 2.952 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.114 0.602 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.335 2.255 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.662 1.445 -1.648 1.00 0.00 H new ATOM 1421 N LYS A 91 12.317 5.504 0.503 1.00 0.00 N ATOM 1422 CA LYS A 91 12.811 6.854 0.337 1.00 0.00 C ATOM 1423 C LYS A 91 14.052 6.885 -0.546 1.00 0.00 C ATOM 1424 O LYS A 91 14.474 7.954 -0.992 1.00 0.00 O ATOM 1425 CB LYS A 91 13.122 7.483 1.692 1.00 0.00 C ATOM 1426 CG LYS A 91 11.905 7.665 2.580 1.00 0.00 C ATOM 1427 CD LYS A 91 12.314 7.955 4.015 1.00 0.00 C ATOM 1428 CE LYS A 91 13.191 9.190 4.106 1.00 0.00 C ATOM 1429 NZ LYS A 91 13.864 9.290 5.425 1.00 0.00 N ATOM 0 H LYS A 91 12.422 5.127 1.445 1.00 0.00 H new ATOM 0 HA LYS A 91 12.028 7.433 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.849 6.860 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.591 8.454 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.293 8.483 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.290 6.766 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.423 8.095 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.849 7.097 4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.941 9.162 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.584 10.080 3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.454 10.146 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.148 9.342 6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.462 8.453 5.574 1.00 0.00 H new ATOM 1443 N LYS A 92 14.654 5.717 -0.774 1.00 0.00 N ATOM 1444 CA LYS A 92 15.783 5.623 -1.691 1.00 0.00 C ATOM 1445 C LYS A 92 15.334 6.028 -3.090 1.00 0.00 C ATOM 1446 O LYS A 92 16.047 6.728 -3.812 1.00 0.00 O ATOM 1447 CB LYS A 92 16.361 4.204 -1.719 1.00 0.00 C ATOM 1448 CG LYS A 92 16.784 3.678 -0.356 1.00 0.00 C ATOM 1449 CD LYS A 92 17.617 2.407 -0.475 1.00 0.00 C ATOM 1450 CE LYS A 92 16.907 1.322 -1.275 1.00 0.00 C ATOM 1451 NZ LYS A 92 15.687 0.812 -0.591 1.00 0.00 N ATOM 0 H LYS A 92 14.381 4.835 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 92 16.566 6.297 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.617 3.529 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.223 4.187 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.359 4.442 0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.899 3.478 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.569 2.642 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.844 2.030 0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.632 1.718 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.595 0.494 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.205 0.126 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.957 0.348 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.046 1.605 -0.388 1.00 0.00 H new ATOM 1465 N LEU A 93 14.126 5.610 -3.447 1.00 0.00 N ATOM 1466 CA LEU A 93 13.541 5.944 -4.737 1.00 0.00 C ATOM 1467 C LEU A 93 12.738 7.231 -4.615 1.00 0.00 C ATOM 1468 O LEU A 93 11.507 7.209 -4.652 1.00 0.00 O ATOM 1469 CB LEU A 93 12.643 4.810 -5.248 1.00 0.00 C ATOM 1470 CG LEU A 93 13.355 3.492 -5.575 1.00 0.00 C ATOM 1471 CD1 LEU A 93 13.663 2.701 -4.312 1.00 0.00 C ATOM 1472 CD2 LEU A 93 12.517 2.664 -6.534 1.00 0.00 C ATOM 0 H LEU A 93 13.529 5.034 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 93 14.348 6.084 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.878 4.611 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.128 5.155 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 93 14.304 3.731 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.168 1.772 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.309 3.291 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.734 2.472 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.035 1.731 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.552 2.443 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.362 3.223 -7.457 1.00 0.00 H new ATOM 1484 N ASP A 94 13.460 8.342 -4.469 1.00 0.00 N ATOM 1485 CA ASP A 94 12.869 9.664 -4.240 1.00 0.00 C ATOM 1486 C ASP A 94 12.299 9.771 -2.831 1.00 0.00 C ATOM 1487 O ASP A 94 11.234 9.237 -2.523 1.00 0.00 O ATOM 1488 CB ASP A 94 11.793 10.013 -5.277 1.00 0.00 C ATOM 1489 CG ASP A 94 12.375 10.329 -6.638 1.00 0.00 C ATOM 1490 OD1 ASP A 94 13.062 11.364 -6.768 1.00 0.00 O ATOM 1491 OD2 ASP A 94 12.146 9.555 -7.590 1.00 0.00 O ATOM 0 H ASP A 94 14.479 8.352 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 94 13.675 10.389 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.098 9.178 -5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.218 10.869 -4.924 1.00 0.00 H new ATOM 1496 N SER A 95 13.013 10.493 -1.985 1.00 0.00 N ATOM 1497 CA SER A 95 12.620 10.681 -0.597 1.00 0.00 C ATOM 1498 C SER A 95 11.388 11.576 -0.493 1.00 0.00 C ATOM 1499 O SER A 95 10.761 11.660 0.563 1.00 0.00 O ATOM 1500 CB SER A 95 13.787 11.274 0.185 1.00 0.00 C ATOM 1501 OG SER A 95 14.950 10.480 0.012 1.00 0.00 O ATOM 0 H SER A 95 13.881 10.965 -2.239 1.00 0.00 H new ATOM 0 HA SER A 95 12.359 9.713 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.980 12.292 -0.153 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.532 11.332 1.243 1.00 0.00 H new ATOM 0 HG SER A 95 14.697 9.603 -0.345 1.00 0.00 H new ATOM 1507 N GLN A 96 11.060 12.245 -1.600 1.00 0.00 N ATOM 1508 CA GLN A 96 9.864 13.085 -1.701 1.00 0.00 C ATOM 1509 C GLN A 96 8.623 12.330 -1.217 1.00 0.00 C ATOM 1510 O GLN A 96 7.723 12.916 -0.619 1.00 0.00 O ATOM 1511 CB GLN A 96 9.661 13.511 -3.158 1.00 0.00 C ATOM 1512 CG GLN A 96 8.619 14.600 -3.341 1.00 0.00 C ATOM 1513 CD GLN A 96 9.105 15.945 -2.846 1.00 0.00 C ATOM 1514 OE1 GLN A 96 8.925 16.297 -1.679 1.00 0.00 O ATOM 1515 NE2 GLN A 96 9.722 16.708 -3.733 1.00 0.00 N ATOM 0 H GLN A 96 11.617 12.220 -2.454 1.00 0.00 H new ATOM 0 HA GLN A 96 10.005 13.963 -1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.612 13.860 -3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.368 12.640 -3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.357 14.676 -4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.710 14.325 -2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.850 16.377 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.070 17.627 -3.461 1.00 0.00 H new ATOM 1524 N ILE A 97 8.607 11.021 -1.472 1.00 0.00 N ATOM 1525 CA ILE A 97 7.513 10.137 -1.058 1.00 0.00 C ATOM 1526 C ILE A 97 7.216 10.273 0.437 1.00 0.00 C ATOM 1527 O ILE A 97 6.073 10.138 0.878 1.00 0.00 O ATOM 1528 CB ILE A 97 7.870 8.661 -1.375 1.00 0.00 C ATOM 1529 CG1 ILE A 97 7.986 8.455 -2.889 1.00 0.00 C ATOM 1530 CG2 ILE A 97 6.849 7.699 -0.777 1.00 0.00 C ATOM 1531 CD1 ILE A 97 8.384 7.048 -3.285 1.00 0.00 C ATOM 0 H ILE A 97 9.354 10.541 -1.973 1.00 0.00 H new ATOM 0 HA ILE A 97 6.624 10.432 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 97 8.835 8.443 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.030 8.697 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.720 9.156 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.130 6.674 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.823 7.823 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.863 7.912 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.446 6.979 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.355 6.809 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.638 6.342 -2.919 1.00 0.00 H new ATOM 1543 N CYS A 98 8.247 10.574 1.207 1.00 0.00 N ATOM 1544 CA CYS A 98 8.134 10.587 2.653 1.00 0.00 C ATOM 1545 C CYS A 98 7.640 11.935 3.166 1.00 0.00 C ATOM 1546 O CYS A 98 7.135 12.035 4.286 1.00 0.00 O ATOM 1547 CB CYS A 98 9.487 10.259 3.280 1.00 0.00 C ATOM 1548 SG CYS A 98 9.376 9.624 4.982 1.00 0.00 S ATOM 0 H CYS A 98 9.173 10.813 0.853 1.00 0.00 H new ATOM 0 HA CYS A 98 7.402 9.832 2.939 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.995 9.521 2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 98 10.105 11.157 3.277 1.00 0.00 H new ATOM 1553 N GLU A 99 7.754 12.965 2.344 1.00 0.00 N ATOM 1554 CA GLU A 99 7.484 14.319 2.798 1.00 0.00 C ATOM 1555 C GLU A 99 6.216 14.878 2.155 1.00 0.00 C ATOM 1556 O GLU A 99 6.219 15.956 1.561 1.00 0.00 O ATOM 1557 CB GLU A 99 8.693 15.213 2.503 1.00 0.00 C ATOM 1558 CG GLU A 99 8.600 16.610 3.098 1.00 0.00 C ATOM 1559 CD GLU A 99 8.502 16.606 4.610 1.00 0.00 C ATOM 1560 OE1 GLU A 99 9.557 16.616 5.278 1.00 0.00 O ATOM 1561 OE2 GLU A 99 7.369 16.609 5.142 1.00 0.00 O ATOM 0 H GLU A 99 8.030 12.891 1.365 1.00 0.00 H new ATOM 0 HA GLU A 99 7.316 14.298 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.591 14.727 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.812 15.298 1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.476 17.185 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.728 17.117 2.685 1.00 0.00 H new ATOM 1568 N LEU A 100 5.132 14.131 2.259 1.00 0.00 N ATOM 1569 CA LEU A 100 3.829 14.656 1.889 1.00 0.00 C ATOM 1570 C LEU A 100 3.044 15.014 3.136 1.00 0.00 C ATOM 1571 O LEU A 100 2.464 16.098 3.225 1.00 0.00 O ATOM 1572 CB LEU A 100 3.036 13.671 1.028 1.00 0.00 C ATOM 1573 CG LEU A 100 3.311 13.770 -0.474 1.00 0.00 C ATOM 1574 CD1 LEU A 100 4.341 12.737 -0.906 1.00 0.00 C ATOM 1575 CD2 LEU A 100 2.023 13.620 -1.269 1.00 0.00 C ATOM 0 H LEU A 100 5.126 13.167 2.593 1.00 0.00 H new ATOM 0 HA LEU A 100 3.991 15.552 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.261 12.657 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.972 13.834 1.200 1.00 0.00 H new ATOM 0 HG LEU A 100 3.721 14.759 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.520 12.827 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.273 12.906 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.969 11.737 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.242 13.694 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.576 12.649 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.327 14.410 -0.986 1.00 0.00 H new ATOM 1587 N LYS A 101 3.080 14.100 4.112 1.00 0.00 N ATOM 1588 CA LYS A 101 2.357 14.248 5.375 1.00 0.00 C ATOM 1589 C LYS A 101 0.852 14.257 5.124 1.00 0.00 C ATOM 1590 O LYS A 101 0.182 13.254 5.333 1.00 0.00 O ATOM 1591 CB LYS A 101 2.813 15.513 6.116 1.00 0.00 C ATOM 1592 CG LYS A 101 4.314 15.537 6.379 1.00 0.00 C ATOM 1593 CD LYS A 101 4.738 14.402 7.299 1.00 0.00 C ATOM 1594 CE LYS A 101 6.250 14.223 7.320 1.00 0.00 C ATOM 1595 NZ LYS A 101 6.966 15.492 7.608 1.00 0.00 N ATOM 0 H LYS A 101 3.615 13.234 4.045 1.00 0.00 H new ATOM 0 HA LYS A 101 2.585 13.395 6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.538 16.390 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.282 15.584 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.851 15.460 5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.591 16.492 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.382 14.602 8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.267 13.475 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.515 13.481 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.580 13.833 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.889 15.280 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.110 16.018 6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.401 16.068 8.265 1.00 0.00 H new ATOM 1609 N TYR A 102 0.357 15.396 4.660 1.00 0.00 N ATOM 1610 CA TYR A 102 -1.007 15.565 4.169 1.00 0.00 C ATOM 1611 C TYR A 102 -1.047 16.865 3.383 1.00 0.00 C ATOM 1612 O TYR A 102 -0.660 16.909 2.217 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.044 15.600 5.301 1.00 0.00 C ATOM 1614 CG TYR A 102 -2.464 14.239 5.804 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -2.856 13.242 4.920 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.463 13.950 7.161 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.236 11.996 5.375 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.845 12.707 7.622 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.228 11.736 6.726 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.613 10.500 7.184 1.00 0.00 O ATOM 0 H TYR A 102 0.908 16.253 4.613 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.268 14.710 3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.635 16.172 6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.928 16.133 4.951 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.864 13.445 3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.159 14.709 7.867 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.538 11.230 4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.843 12.497 8.681 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.491 9.836 6.474 1.00 0.00 H new