USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 817 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 101 GLN : amide:sc= 0.671 K(o=3.9,f=-13!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ -162:sc= 3.18 (180deg=0.198!) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.439 K(o=-3.2,f=-8!) USER MOD Set 2.2: A 45 ASN : amide:sc= -2.77! C(o=-3.2!,f=-5.2!) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= -0.151 (180deg=-0.893) USER MOD Single : A 9 HIS : no HD1:sc= -0.0903 X(o=-0.09,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -112:sc= 1.13 (180deg=-0.322) USER MOD Single : A 18 CYS SG : rot 120:sc= -1.99! USER MOD Single : A 20 SER OG : rot 89:sc= 1.18 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0503 USER MOD Single : A 28 THR OG1 : rot 81:sc= -6.05! USER MOD Single : A 41 THR OG1 : rot 67:sc= 1.4 USER MOD Single : A 42 SER OG : rot -87:sc= 0.682 USER MOD Single : A 47 GLN : amide:sc= 0.0556 X(o=0.056,f=-4.7e-05) USER MOD Single : A 49 ASN : amide:sc= 0.626 K(o=0.63,f=-0.69) USER MOD Single : A 54 HIS : no HE2:sc= -0.211 K(o=-0.21,f=-2.2!) USER MOD Single : A 57 SER OG : rot -68:sc= 0.877 USER MOD Single : A 60 MET CE :methyl -120:sc= -1.47 (180deg=-3.2!) USER MOD Single : A 61 SER OG : rot 90:sc= 1.13 USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= 1.12 (180deg=0.474) USER MOD Single : A 65 LYS NZ :NH3+ -133:sc= 0.936 (180deg=-1.35) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 73 SER OG : rot 50:sc= 0.996 USER MOD Single : A 79 TYR OH : rot -60:sc= -0.0931 USER MOD Single : A 83 THR OG1 : rot 83:sc= -0.761! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 88 SER OG : rot 92:sc= 1.2 USER MOD Single : A 89 SER OG : rot 156:sc= 1.22 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 98 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.7!) USER MOD Single : A 102 LYS NZ :NH3+ -138:sc= -0.0731 (180deg=-0.697) USER MOD Single : A 103 THR OG1 : rot 155:sc= 0.739 USER MOD Single : A 112 SER OG : rot 36:sc= 0.876 USER MOD Single : A 115 TYR OH : rot -115:sc= 1.24 USER MOD Single : A 117 SER OG : rot -143:sc= 1.37 USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -8.737 -16.074 -4.519 1.00 0.00 N ATOM 92 CA LYS A 7 -7.354 -15.545 -4.414 1.00 0.00 C ATOM 93 C LYS A 7 -7.201 -14.285 -5.261 1.00 0.00 C ATOM 94 O LYS A 7 -6.827 -13.233 -4.750 1.00 0.00 O ATOM 95 CB LYS A 7 -6.269 -16.580 -4.841 1.00 0.00 C ATOM 96 CG LYS A 7 -6.667 -18.058 -4.755 1.00 0.00 C ATOM 97 CD LYS A 7 -5.551 -18.966 -5.279 1.00 0.00 C ATOM 98 CE LYS A 7 -5.149 -20.038 -4.262 1.00 0.00 C ATOM 99 NZ LYS A 7 -6.322 -20.732 -3.652 1.00 0.00 N ATOM 0 HA LYS A 7 -7.195 -15.317 -3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.976 -16.364 -5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.387 -16.427 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.893 -18.316 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.576 -18.226 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.879 -19.447 -6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.680 -18.360 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.512 -20.775 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.555 -19.578 -3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.053 -21.701 -3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.629 -20.214 -2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.102 -20.765 -4.339 1.00 0.00 H new ATOM 113 N ARG A 8 -7.520 -14.403 -6.565 1.00 0.00 N ATOM 114 CA ARG A 8 -7.437 -13.266 -7.499 1.00 0.00 C ATOM 115 C ARG A 8 -8.065 -11.994 -6.923 1.00 0.00 C ATOM 116 O ARG A 8 -7.481 -10.917 -7.026 1.00 0.00 O ATOM 117 CB ARG A 8 -8.064 -13.596 -8.860 1.00 0.00 C ATOM 118 CG ARG A 8 -9.412 -14.274 -8.791 1.00 0.00 C ATOM 119 CD ARG A 8 -10.275 -13.874 -9.970 1.00 0.00 C ATOM 120 NE ARG A 8 -11.705 -14.118 -9.712 1.00 0.00 N ATOM 121 CZ ARG A 8 -12.319 -15.324 -9.785 1.00 0.00 C ATOM 122 NH1 ARG A 8 -11.705 -16.357 -10.358 1.00 0.00 N ATOM 123 NH2 ARG A 8 -13.570 -15.455 -9.360 1.00 0.00 N ATOM 0 H ARG A 8 -7.837 -15.273 -6.993 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.374 -13.077 -7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.167 -12.673 -9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.379 -14.238 -9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.280 -15.356 -8.781 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.912 -14.006 -7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.121 -12.818 -10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.965 -14.433 -10.853 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.279 -13.314 -9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.768 -16.243 -10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.172 -17.263 -10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.066 -14.649 -8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.035 -16.361 -9.414 1.00 0.00 H new ATOM 137 N HIS A 9 -9.239 -12.133 -6.288 1.00 0.00 N ATOM 138 CA HIS A 9 -9.929 -10.992 -5.679 1.00 0.00 C ATOM 139 C HIS A 9 -9.154 -10.442 -4.504 1.00 0.00 C ATOM 140 O HIS A 9 -8.956 -9.242 -4.422 1.00 0.00 O ATOM 141 CB HIS A 9 -11.358 -11.344 -5.263 1.00 0.00 C ATOM 142 CG HIS A 9 -12.348 -11.169 -6.367 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.619 -10.687 -6.166 1.00 0.00 N ATOM 144 CD2 HIS A 9 -12.239 -11.397 -7.702 1.00 0.00 C ATOM 145 CE1 HIS A 9 -14.253 -10.623 -7.324 1.00 0.00 C ATOM 146 NE2 HIS A 9 -13.439 -11.046 -8.275 1.00 0.00 N ATOM 0 H HIS A 9 -9.727 -13.023 -6.185 1.00 0.00 H new ATOM 0 HA HIS A 9 -9.988 -10.216 -6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.386 -12.378 -4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.649 -10.719 -4.419 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.372 -11.782 -8.217 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.267 -10.282 -7.469 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.663 -11.103 -9.268 1.00 0.00 H new ATOM 155 N ASP A 10 -8.642 -11.321 -3.634 1.00 0.00 N ATOM 156 CA ASP A 10 -7.803 -10.865 -2.516 1.00 0.00 C ATOM 157 C ASP A 10 -6.565 -10.149 -3.077 1.00 0.00 C ATOM 158 O ASP A 10 -6.208 -9.063 -2.623 1.00 0.00 O ATOM 159 CB ASP A 10 -7.397 -12.032 -1.583 1.00 0.00 C ATOM 160 CG ASP A 10 -8.434 -12.324 -0.528 1.00 0.00 C ATOM 161 OD1 ASP A 10 -8.726 -11.440 0.290 1.00 0.00 O ATOM 162 OD2 ASP A 10 -8.971 -13.446 -0.508 1.00 0.00 O ATOM 0 H ASP A 10 -8.788 -12.330 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.382 -10.170 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.231 -12.928 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.450 -11.792 -1.099 1.00 0.00 H new ATOM 167 N VAL A 11 -5.973 -10.715 -4.141 1.00 0.00 N ATOM 168 CA VAL A 11 -4.855 -10.056 -4.836 1.00 0.00 C ATOM 169 C VAL A 11 -5.314 -8.677 -5.349 1.00 0.00 C ATOM 170 O VAL A 11 -4.654 -7.655 -5.097 1.00 0.00 O ATOM 171 CB VAL A 11 -4.324 -10.888 -6.044 1.00 0.00 C ATOM 172 CG1 VAL A 11 -2.988 -10.352 -6.517 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.203 -12.367 -5.703 1.00 0.00 C ATOM 0 H VAL A 11 -6.245 -11.616 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.042 -9.958 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.052 -10.789 -6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.635 -10.946 -7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.102 -9.313 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.264 -10.410 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.830 -12.911 -6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.511 -12.493 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.182 -12.757 -5.423 1.00 0.00 H new ATOM 183 N ALA A 12 -6.467 -8.659 -6.044 1.00 0.00 N ATOM 184 CA ALA A 12 -7.058 -7.411 -6.543 1.00 0.00 C ATOM 185 C ALA A 12 -7.259 -6.446 -5.388 1.00 0.00 C ATOM 186 O ALA A 12 -6.881 -5.288 -5.479 1.00 0.00 O ATOM 187 CB ALA A 12 -8.384 -7.674 -7.245 1.00 0.00 C ATOM 0 H ALA A 12 -7.004 -9.496 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.376 -6.971 -7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.799 -6.732 -7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.222 -8.344 -8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.081 -8.134 -6.545 1.00 0.00 H new ATOM 193 N GLN A 13 -7.804 -6.959 -4.276 1.00 0.00 N ATOM 194 CA GLN A 13 -7.987 -6.178 -3.054 1.00 0.00 C ATOM 195 C GLN A 13 -6.668 -5.540 -2.645 1.00 0.00 C ATOM 196 O GLN A 13 -6.614 -4.339 -2.396 1.00 0.00 O ATOM 197 CB GLN A 13 -8.502 -7.069 -1.920 1.00 0.00 C ATOM 198 CG GLN A 13 -9.904 -7.595 -2.144 1.00 0.00 C ATOM 199 CD GLN A 13 -10.909 -6.855 -1.313 1.00 0.00 C ATOM 200 OE1 GLN A 13 -11.348 -5.767 -1.692 1.00 0.00 O ATOM 201 NE2 GLN A 13 -11.270 -7.406 -0.171 1.00 0.00 N ATOM 0 H GLN A 13 -8.128 -7.923 -4.203 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.722 -5.397 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.823 -7.913 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.481 -6.504 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.164 -7.503 -3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.939 -8.656 -1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.882 -8.308 0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.937 -6.930 0.437 1.00 0.00 H new ATOM 210 N LEU A 14 -5.596 -6.348 -2.618 1.00 0.00 N ATOM 211 CA LEU A 14 -4.256 -5.844 -2.291 1.00 0.00 C ATOM 212 C LEU A 14 -3.907 -4.672 -3.214 1.00 0.00 C ATOM 213 O LEU A 14 -3.558 -3.578 -2.737 1.00 0.00 O ATOM 214 CB LEU A 14 -3.192 -6.963 -2.409 1.00 0.00 C ATOM 215 CG LEU A 14 -2.020 -6.950 -1.386 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.956 -5.652 -0.590 1.00 0.00 C ATOM 217 CD2 LEU A 14 -2.114 -8.137 -0.446 1.00 0.00 C ATOM 0 H LEU A 14 -5.632 -7.348 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.259 -5.499 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.702 -7.923 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.765 -6.917 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.098 -7.023 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.121 -5.695 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.816 -4.813 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.886 -5.518 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.285 -8.108 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.057 -8.096 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.068 -9.061 -1.022 1.00 0.00 H new ATOM 229 N LYS A 15 -4.081 -4.882 -4.538 1.00 0.00 N ATOM 230 CA LYS A 15 -3.868 -3.811 -5.523 1.00 0.00 C ATOM 231 C LYS A 15 -4.755 -2.620 -5.175 1.00 0.00 C ATOM 232 O LYS A 15 -4.260 -1.519 -4.951 1.00 0.00 O ATOM 233 CB LYS A 15 -4.192 -4.284 -6.959 1.00 0.00 C ATOM 234 CG LYS A 15 -3.111 -5.140 -7.608 1.00 0.00 C ATOM 235 CD LYS A 15 -2.954 -4.828 -9.103 1.00 0.00 C ATOM 236 CE LYS A 15 -2.864 -6.108 -9.947 1.00 0.00 C ATOM 237 NZ LYS A 15 -2.178 -5.897 -11.257 1.00 0.00 N ATOM 0 H LYS A 15 -4.365 -5.775 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.816 -3.526 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.122 -4.852 -6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.367 -3.408 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.161 -4.972 -7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.358 -6.194 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.800 -4.229 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.057 -4.228 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.330 -6.872 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.869 -6.489 -10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.865 -6.004 -12.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.771 -4.940 -11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.419 -6.600 -11.369 1.00 0.00 H new ATOM 251 N PHE A 16 -6.068 -2.870 -5.103 1.00 0.00 N ATOM 252 CA PHE A 16 -7.067 -1.848 -4.770 1.00 0.00 C ATOM 253 C PHE A 16 -6.674 -1.069 -3.528 1.00 0.00 C ATOM 254 O PHE A 16 -6.723 0.168 -3.532 1.00 0.00 O ATOM 255 CB PHE A 16 -8.446 -2.481 -4.565 1.00 0.00 C ATOM 256 CG PHE A 16 -9.598 -1.530 -4.746 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.704 -0.748 -5.887 1.00 0.00 C ATOM 258 CD2 PHE A 16 -10.584 -1.434 -3.786 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.769 0.107 -6.060 1.00 0.00 C ATOM 260 CE2 PHE A 16 -11.652 -0.583 -3.957 1.00 0.00 C ATOM 261 CZ PHE A 16 -11.747 0.189 -5.093 1.00 0.00 C ATOM 0 H PHE A 16 -6.469 -3.792 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.112 -1.156 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.560 -3.309 -5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.493 -2.903 -3.561 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.941 -0.811 -6.649 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.517 -2.033 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.838 0.712 -6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.418 -0.521 -3.198 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.585 0.857 -5.226 1.00 0.00 H new ATOM 271 N LEU A 17 -6.295 -1.773 -2.462 1.00 0.00 N ATOM 272 CA LEU A 17 -5.875 -1.115 -1.221 1.00 0.00 C ATOM 273 C LEU A 17 -4.731 -0.146 -1.518 1.00 0.00 C ATOM 274 O LEU A 17 -4.780 1.025 -1.117 1.00 0.00 O ATOM 275 CB LEU A 17 -5.447 -2.149 -0.159 1.00 0.00 C ATOM 276 CG LEU A 17 -6.510 -2.533 0.896 1.00 0.00 C ATOM 277 CD1 LEU A 17 -7.091 -1.298 1.579 1.00 0.00 C ATOM 278 CD2 LEU A 17 -7.620 -3.363 0.268 1.00 0.00 C ATOM 0 H LEU A 17 -6.269 -2.792 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.722 -0.560 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.133 -3.057 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.573 -1.760 0.363 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.013 -3.135 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.835 -1.605 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.293 -0.749 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.561 -0.657 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.356 -3.621 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.102 -2.788 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.198 -4.275 -0.153 1.00 0.00 H new ATOM 290 N CYS A 18 -3.746 -0.612 -2.298 1.00 0.00 N ATOM 291 CA CYS A 18 -2.637 0.239 -2.726 1.00 0.00 C ATOM 292 C CYS A 18 -3.150 1.366 -3.628 1.00 0.00 C ATOM 293 O CYS A 18 -2.891 2.533 -3.351 1.00 0.00 O ATOM 294 CB CYS A 18 -1.547 -0.576 -3.437 1.00 0.00 C ATOM 295 SG CYS A 18 -0.644 -1.705 -2.350 1.00 0.00 S ATOM 0 H CYS A 18 -3.698 -1.571 -2.642 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.188 0.681 -1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.005 -1.151 -4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.838 0.111 -3.900 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.796 -2.926 -2.770 1.00 0.00 H new ATOM 301 N GLU A 19 -3.922 1.014 -4.681 1.00 0.00 N ATOM 302 CA GLU A 19 -4.523 2.019 -5.586 1.00 0.00 C ATOM 303 C GLU A 19 -5.229 3.105 -4.769 1.00 0.00 C ATOM 304 O GLU A 19 -4.999 4.305 -4.986 1.00 0.00 O ATOM 305 CB GLU A 19 -5.543 1.371 -6.554 1.00 0.00 C ATOM 306 CG GLU A 19 -4.984 0.257 -7.446 1.00 0.00 C ATOM 307 CD GLU A 19 -5.979 -0.242 -8.459 1.00 0.00 C ATOM 308 OE1 GLU A 19 -7.178 -0.317 -8.146 1.00 0.00 O ATOM 309 OE2 GLU A 19 -5.573 -0.561 -9.569 1.00 0.00 O ATOM 0 H GLU A 19 -4.142 0.048 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.717 2.458 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.368 0.965 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.959 2.151 -7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.099 0.625 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.663 -0.575 -6.820 1.00 0.00 H new ATOM 316 N SER A 20 -6.069 2.667 -3.824 1.00 0.00 N ATOM 317 CA SER A 20 -6.809 3.573 -2.947 1.00 0.00 C ATOM 318 C SER A 20 -5.860 4.382 -2.070 1.00 0.00 C ATOM 319 O SER A 20 -5.894 5.605 -2.096 1.00 0.00 O ATOM 320 CB SER A 20 -7.820 2.804 -2.066 1.00 0.00 C ATOM 321 OG SER A 20 -8.540 1.814 -2.826 1.00 0.00 O ATOM 0 H SER A 20 -6.252 1.679 -3.649 1.00 0.00 H new ATOM 0 HA SER A 20 -7.365 4.260 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.293 2.320 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.525 3.507 -1.622 1.00 0.00 H new ATOM 0 HG SER A 20 -8.041 0.970 -2.820 1.00 0.00 H new ATOM 327 N LEU A 21 -4.990 3.699 -1.308 1.00 0.00 N ATOM 328 CA LEU A 21 -4.037 4.400 -0.435 1.00 0.00 C ATOM 329 C LEU A 21 -3.174 5.377 -1.222 1.00 0.00 C ATOM 330 O LEU A 21 -2.979 6.510 -0.796 1.00 0.00 O ATOM 331 CB LEU A 21 -3.167 3.437 0.367 1.00 0.00 C ATOM 332 CG LEU A 21 -2.333 4.090 1.475 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.746 3.586 2.840 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.857 3.865 1.235 1.00 0.00 C ATOM 0 H LEU A 21 -4.927 2.681 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.633 4.969 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.808 2.678 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.494 2.922 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.521 5.163 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.137 4.067 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.796 3.821 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.603 2.507 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.283 4.336 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.649 2.795 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.573 4.301 0.277 1.00 0.00 H new ATOM 346 N TYR A 22 -2.703 4.949 -2.389 1.00 0.00 N ATOM 347 CA TYR A 22 -1.933 5.815 -3.280 1.00 0.00 C ATOM 348 C TYR A 22 -2.754 7.085 -3.574 1.00 0.00 C ATOM 349 O TYR A 22 -2.244 8.211 -3.459 1.00 0.00 O ATOM 350 CB TYR A 22 -1.598 5.043 -4.587 1.00 0.00 C ATOM 351 CG TYR A 22 -0.867 5.814 -5.689 1.00 0.00 C ATOM 352 CD1 TYR A 22 -0.311 7.073 -5.479 1.00 0.00 C ATOM 353 CD2 TYR A 22 -0.745 5.258 -6.955 1.00 0.00 C ATOM 354 CE1 TYR A 22 0.333 7.744 -6.496 1.00 0.00 C ATOM 355 CE2 TYR A 22 -0.102 5.922 -7.970 1.00 0.00 C ATOM 356 CZ TYR A 22 0.433 7.160 -7.741 1.00 0.00 C ATOM 357 OH TYR A 22 1.072 7.818 -8.756 1.00 0.00 O ATOM 0 H TYR A 22 -2.841 4.002 -2.743 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.994 6.109 -2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.991 4.177 -4.321 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.531 4.663 -5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.386 7.531 -4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.165 4.282 -7.146 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.757 8.721 -6.319 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.019 5.468 -8.947 1.00 0.00 H new ATOM 0 HH TYR A 22 1.054 7.266 -9.566 1.00 0.00 H new ATOM 367 N ASP A 23 -4.055 6.891 -3.849 1.00 0.00 N ATOM 368 CA ASP A 23 -4.980 8.002 -4.089 1.00 0.00 C ATOM 369 C ASP A 23 -5.191 8.830 -2.818 1.00 0.00 C ATOM 370 O ASP A 23 -4.911 10.044 -2.812 1.00 0.00 O ATOM 371 CB ASP A 23 -6.331 7.485 -4.621 1.00 0.00 C ATOM 372 CG ASP A 23 -7.357 8.567 -4.745 1.00 0.00 C ATOM 373 OD1 ASP A 23 -7.138 9.503 -5.511 1.00 0.00 O ATOM 374 OD2 ASP A 23 -8.379 8.476 -4.083 1.00 0.00 O ATOM 0 H ASP A 23 -4.487 5.969 -3.910 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.533 8.647 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.179 7.021 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.706 6.709 -3.954 1.00 0.00 H new ATOM 379 N GLU A 24 -5.658 8.176 -1.741 1.00 0.00 N ATOM 380 CA GLU A 24 -5.885 8.857 -0.452 1.00 0.00 C ATOM 381 C GLU A 24 -4.634 9.603 -0.016 1.00 0.00 C ATOM 382 O GLU A 24 -4.713 10.750 0.412 1.00 0.00 O ATOM 383 CB GLU A 24 -6.310 7.879 0.668 1.00 0.00 C ATOM 384 CG GLU A 24 -7.453 6.933 0.314 1.00 0.00 C ATOM 385 CD GLU A 24 -8.806 7.577 0.427 1.00 0.00 C ATOM 386 OE1 GLU A 24 -9.213 7.937 1.536 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.479 7.711 -0.591 1.00 0.00 O ATOM 0 H GLU A 24 -5.885 7.182 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.703 9.560 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.443 7.283 0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.600 8.460 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.314 6.569 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.415 6.064 0.971 1.00 0.00 H new ATOM 394 N GLY A 25 -3.476 8.950 -0.120 1.00 0.00 N ATOM 395 CA GLY A 25 -2.228 9.576 0.265 1.00 0.00 C ATOM 396 C GLY A 25 -2.024 10.886 -0.446 1.00 0.00 C ATOM 397 O GLY A 25 -1.928 11.935 0.202 1.00 0.00 O ATOM 0 H GLY A 25 -3.385 7.995 -0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.220 9.741 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.399 8.906 0.039 1.00 0.00 H new ATOM 401 N ILE A 26 -2.052 10.855 -1.785 1.00 0.00 N ATOM 402 CA ILE A 26 -1.939 12.082 -2.578 1.00 0.00 C ATOM 403 C ILE A 26 -3.060 13.068 -2.197 1.00 0.00 C ATOM 404 O ILE A 26 -2.803 14.265 -1.999 1.00 0.00 O ATOM 405 CB ILE A 26 -1.967 11.794 -4.119 1.00 0.00 C ATOM 406 CG1 ILE A 26 -0.870 10.786 -4.510 1.00 0.00 C ATOM 407 CG2 ILE A 26 -1.800 13.081 -4.922 1.00 0.00 C ATOM 408 CD1 ILE A 26 0.536 11.364 -4.499 1.00 0.00 C ATOM 0 H ILE A 26 -2.151 10.002 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.972 12.530 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.940 11.362 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.909 9.939 -3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.085 10.400 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.823 12.851 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.611 13.768 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.846 13.545 -4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.249 10.591 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.595 12.192 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.774 11.724 -3.498 1.00 0.00 H new ATOM 420 N ALA A 27 -4.292 12.554 -2.036 1.00 0.00 N ATOM 421 CA ALA A 27 -5.437 13.387 -1.621 1.00 0.00 C ATOM 422 C ALA A 27 -5.170 14.059 -0.275 1.00 0.00 C ATOM 423 O ALA A 27 -5.560 15.204 -0.064 1.00 0.00 O ATOM 424 CB ALA A 27 -6.719 12.565 -1.547 1.00 0.00 C ATOM 0 H ALA A 27 -4.521 11.571 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.565 14.161 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.545 13.206 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.936 12.140 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.594 11.760 -0.822 1.00 0.00 H new ATOM 430 N THR A 28 -4.532 13.341 0.628 1.00 0.00 N ATOM 431 CA THR A 28 -4.221 13.860 1.950 1.00 0.00 C ATOM 432 C THR A 28 -3.032 14.819 1.890 1.00 0.00 C ATOM 433 O THR A 28 -3.087 15.920 2.462 1.00 0.00 O ATOM 434 CB THR A 28 -3.931 12.719 2.933 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.854 11.652 2.782 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.944 13.154 4.387 1.00 0.00 C ATOM 0 H THR A 28 -4.215 12.385 0.469 1.00 0.00 H new ATOM 0 HA THR A 28 -5.093 14.408 2.306 1.00 0.00 H new ATOM 0 HB THR A 28 -2.923 12.388 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.588 11.094 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.731 12.296 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.185 13.920 4.544 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.925 13.558 4.637 1.00 0.00 H new ATOM 444 N LEU A 29 -1.956 14.413 1.186 1.00 0.00 N ATOM 445 CA LEU A 29 -0.752 15.242 1.080 1.00 0.00 C ATOM 446 C LEU A 29 -1.052 16.557 0.336 1.00 0.00 C ATOM 447 O LEU A 29 -0.389 17.565 0.576 1.00 0.00 O ATOM 448 CB LEU A 29 0.366 14.476 0.354 1.00 0.00 C ATOM 449 CG LEU A 29 0.781 13.124 0.971 1.00 0.00 C ATOM 450 CD1 LEU A 29 1.257 12.156 -0.101 1.00 0.00 C ATOM 451 CD2 LEU A 29 1.854 13.314 2.031 1.00 0.00 C ATOM 0 H LEU A 29 -1.902 13.524 0.689 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.421 15.483 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.048 14.300 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.247 15.117 0.310 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.100 12.696 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.543 11.212 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.453 11.981 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.117 12.581 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.128 12.345 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.732 13.776 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.472 13.957 2.824 1.00 0.00 H new ATOM 576 N ASN A 38 1.194 18.809 6.742 1.00 0.00 N ATOM 577 CA ASN A 38 -0.039 18.096 6.439 1.00 0.00 C ATOM 578 C ASN A 38 -0.994 18.173 7.607 1.00 0.00 C ATOM 579 O ASN A 38 -0.566 18.349 8.752 1.00 0.00 O ATOM 580 CB ASN A 38 0.226 16.631 6.080 1.00 0.00 C ATOM 581 CG ASN A 38 -0.858 16.047 5.200 1.00 0.00 C ATOM 582 OD1 ASN A 38 -1.368 14.970 5.474 1.00 0.00 O ATOM 583 ND2 ASN A 38 -1.213 16.746 4.129 1.00 0.00 N ATOM 0 HA ASN A 38 -0.489 18.579 5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.186 16.553 5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.303 16.044 6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.934 16.388 3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.765 17.641 3.933 1.00 0.00 H new ATOM 590 N ASP A 39 -2.282 18.022 7.319 1.00 0.00 N ATOM 591 CA ASP A 39 -3.318 18.056 8.347 1.00 0.00 C ATOM 592 C ASP A 39 -3.459 16.681 8.998 1.00 0.00 C ATOM 593 O ASP A 39 -4.018 15.764 8.379 1.00 0.00 O ATOM 594 CB ASP A 39 -4.668 18.476 7.727 1.00 0.00 C ATOM 595 CG ASP A 39 -5.655 18.991 8.731 1.00 0.00 C ATOM 596 OD1 ASP A 39 -5.823 18.379 9.795 1.00 0.00 O ATOM 597 OD2 ASP A 39 -6.273 20.016 8.460 1.00 0.00 O ATOM 0 H ASP A 39 -2.636 17.874 6.374 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.031 18.783 9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.490 19.246 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.102 17.621 7.209 1.00 0.00 H new ATOM 602 N PRO A 40 -2.965 16.496 10.250 1.00 0.00 N ATOM 603 CA PRO A 40 -3.069 15.204 10.963 1.00 0.00 C ATOM 604 C PRO A 40 -4.523 14.855 11.309 1.00 0.00 C ATOM 605 O PRO A 40 -4.899 13.681 11.341 1.00 0.00 O ATOM 606 CB PRO A 40 -2.257 15.431 12.257 1.00 0.00 C ATOM 607 CG PRO A 40 -1.474 16.688 12.022 1.00 0.00 C ATOM 608 CD PRO A 40 -2.301 17.516 11.083 1.00 0.00 C ATOM 0 HA PRO A 40 -2.702 14.376 10.356 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.915 15.534 13.120 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.596 14.588 12.458 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.296 17.218 12.958 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.498 16.466 11.591 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.022 18.135 11.617 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.685 18.188 10.486 1.00 0.00 H new ATOM 616 N THR A 41 -5.314 15.883 11.585 1.00 0.00 N ATOM 617 CA THR A 41 -6.718 15.735 11.957 1.00 0.00 C ATOM 618 C THR A 41 -7.603 15.394 10.760 1.00 0.00 C ATOM 619 O THR A 41 -8.663 14.776 10.925 1.00 0.00 O ATOM 620 CB THR A 41 -7.218 17.014 12.636 1.00 0.00 C ATOM 621 OG1 THR A 41 -6.382 18.147 12.320 1.00 0.00 O ATOM 622 CG2 THR A 41 -7.247 16.889 14.121 1.00 0.00 C ATOM 0 H THR A 41 -4.998 16.852 11.557 1.00 0.00 H new ATOM 0 HA THR A 41 -6.783 14.900 12.654 1.00 0.00 H new ATOM 0 HB THR A 41 -8.228 17.166 12.255 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.469 18.362 11.368 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.608 17.820 14.558 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.912 16.073 14.405 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.242 16.682 14.488 1.00 0.00 H new ATOM 630 N SER A 42 -7.220 15.881 9.584 1.00 0.00 N ATOM 631 CA SER A 42 -7.982 15.691 8.368 1.00 0.00 C ATOM 632 C SER A 42 -8.457 14.238 8.224 1.00 0.00 C ATOM 633 O SER A 42 -7.681 13.297 8.471 1.00 0.00 O ATOM 634 CB SER A 42 -7.142 16.123 7.163 1.00 0.00 C ATOM 635 OG SER A 42 -6.045 15.234 6.918 1.00 0.00 O ATOM 0 H SER A 42 -6.365 16.422 9.454 1.00 0.00 H new ATOM 0 HA SER A 42 -8.876 16.313 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.776 16.166 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.760 17.130 7.331 1.00 0.00 H new ATOM 0 HG SER A 42 -5.272 15.514 7.451 1.00 0.00 H new ATOM 641 N ALA A 43 -9.739 14.055 7.854 1.00 0.00 N ATOM 642 CA ALA A 43 -10.318 12.707 7.706 1.00 0.00 C ATOM 643 C ALA A 43 -9.389 11.793 6.948 1.00 0.00 C ATOM 644 O ALA A 43 -9.117 10.692 7.391 1.00 0.00 O ATOM 645 CB ALA A 43 -11.684 12.734 7.021 1.00 0.00 C ATOM 0 H ALA A 43 -10.388 14.816 7.654 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.455 12.320 8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.068 11.718 6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.375 13.335 7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.584 13.169 6.027 1.00 0.00 H new ATOM 651 N VAL A 44 -8.889 12.280 5.816 1.00 0.00 N ATOM 652 CA VAL A 44 -7.994 11.558 4.976 1.00 0.00 C ATOM 653 C VAL A 44 -6.856 10.946 5.786 1.00 0.00 C ATOM 654 O VAL A 44 -6.654 9.725 5.764 1.00 0.00 O ATOM 655 CB VAL A 44 -7.402 12.424 3.847 1.00 0.00 C ATOM 656 CG1 VAL A 44 -7.892 11.993 2.476 1.00 0.00 C ATOM 657 CG2 VAL A 44 -7.604 13.899 4.046 1.00 0.00 C ATOM 0 H VAL A 44 -9.112 13.212 5.466 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.588 10.768 4.516 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.327 12.250 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.448 12.632 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.603 10.958 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.978 12.079 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.161 14.443 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.671 14.117 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.127 14.209 4.976 1.00 0.00 H new ATOM 667 N ASN A 45 -6.149 11.802 6.548 1.00 0.00 N ATOM 668 CA ASN A 45 -5.052 11.352 7.409 1.00 0.00 C ATOM 669 C ASN A 45 -5.505 10.179 8.273 1.00 0.00 C ATOM 670 O ASN A 45 -4.842 9.121 8.321 1.00 0.00 O ATOM 671 CB ASN A 45 -4.530 12.494 8.297 1.00 0.00 C ATOM 672 CG ASN A 45 -3.039 12.383 8.559 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.553 11.342 8.996 1.00 0.00 O ATOM 674 ND2 ASN A 45 -2.299 13.446 8.291 1.00 0.00 N ATOM 0 H ASN A 45 -6.322 12.807 6.581 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.235 11.027 6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.743 13.450 7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.065 12.487 9.247 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.291 13.418 8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.736 14.294 7.929 1.00 0.00 H new ATOM 681 N LEU A 46 -6.684 10.338 8.889 1.00 0.00 N ATOM 682 CA LEU A 46 -7.292 9.273 9.690 1.00 0.00 C ATOM 683 C LEU A 46 -7.542 8.040 8.817 1.00 0.00 C ATOM 684 O LEU A 46 -7.042 6.951 9.116 1.00 0.00 O ATOM 685 CB LEU A 46 -8.612 9.739 10.347 1.00 0.00 C ATOM 686 CG LEU A 46 -8.633 11.171 10.929 1.00 0.00 C ATOM 687 CD1 LEU A 46 -10.013 11.523 11.454 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.586 11.337 12.029 1.00 0.00 C ATOM 0 H LEU A 46 -7.234 11.196 8.846 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.597 9.015 10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.407 9.662 9.605 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.857 9.043 11.149 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.386 11.858 10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.001 12.535 11.858 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.737 11.465 10.641 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.293 10.822 12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.625 12.354 12.418 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.790 10.632 12.835 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.594 11.143 11.620 1.00 0.00 H new ATOM 700 N GLN A 47 -8.244 8.233 7.695 1.00 0.00 N ATOM 701 CA GLN A 47 -8.511 7.173 6.742 1.00 0.00 C ATOM 702 C GLN A 47 -7.258 6.382 6.424 1.00 0.00 C ATOM 703 O GLN A 47 -7.274 5.158 6.450 1.00 0.00 O ATOM 704 CB GLN A 47 -9.057 7.780 5.480 1.00 0.00 C ATOM 705 CG GLN A 47 -10.161 8.786 5.754 1.00 0.00 C ATOM 706 CD GLN A 47 -11.340 8.499 4.982 1.00 0.00 C ATOM 707 OE1 GLN A 47 -12.443 8.358 5.512 1.00 0.00 O ATOM 708 NE2 GLN A 47 -11.160 8.423 3.735 1.00 0.00 N ATOM 0 H GLN A 47 -8.640 9.135 7.430 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.236 6.487 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.249 8.270 4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.441 6.989 4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.409 8.776 6.815 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.807 9.790 5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.225 8.548 3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.949 8.237 3.116 1.00 0.00 H new ATOM 717 N LEU A 48 -6.173 7.090 6.112 1.00 0.00 N ATOM 718 CA LEU A 48 -4.897 6.441 5.752 1.00 0.00 C ATOM 719 C LEU A 48 -4.349 5.587 6.874 1.00 0.00 C ATOM 720 O LEU A 48 -3.922 4.467 6.625 1.00 0.00 O ATOM 721 CB LEU A 48 -3.843 7.448 5.348 1.00 0.00 C ATOM 722 CG LEU A 48 -4.275 8.481 4.324 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.723 9.831 4.688 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.852 8.075 2.926 1.00 0.00 C ATOM 0 H LEU A 48 -6.144 8.110 6.099 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.128 5.800 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.505 7.970 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.984 6.907 4.951 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.363 8.540 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.039 10.565 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.095 10.124 5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.634 9.785 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.175 8.834 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.767 7.979 2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.310 7.119 2.671 1.00 0.00 H new ATOM 736 N ASN A 49 -4.358 6.101 8.117 1.00 0.00 N ATOM 737 CA ASN A 49 -3.858 5.297 9.246 1.00 0.00 C ATOM 738 C ASN A 49 -4.679 4.015 9.356 1.00 0.00 C ATOM 739 O ASN A 49 -4.118 2.923 9.501 1.00 0.00 O ATOM 740 CB ASN A 49 -3.832 6.092 10.575 1.00 0.00 C ATOM 741 CG ASN A 49 -4.909 5.682 11.555 1.00 0.00 C ATOM 742 OD1 ASN A 49 -4.663 4.898 12.474 1.00 0.00 O ATOM 743 ND2 ASN A 49 -6.098 6.177 11.354 1.00 0.00 N ATOM 0 H ASN A 49 -4.692 7.033 8.360 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.819 5.033 9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.857 5.962 11.046 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.940 7.154 10.354 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.869 5.918 11.970 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.257 6.823 10.581 1.00 0.00 H new ATOM 750 N ASP A 50 -6.007 4.149 9.152 1.00 0.00 N ATOM 751 CA ASP A 50 -6.898 2.994 9.091 1.00 0.00 C ATOM 752 C ASP A 50 -6.471 2.120 7.934 1.00 0.00 C ATOM 753 O ASP A 50 -6.127 0.974 8.130 1.00 0.00 O ATOM 754 CB ASP A 50 -8.348 3.435 8.888 1.00 0.00 C ATOM 755 CG ASP A 50 -9.282 2.283 8.741 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.474 1.549 9.707 1.00 0.00 O ATOM 757 OD2 ASP A 50 -9.840 2.117 7.660 1.00 0.00 O ATOM 0 H ASP A 50 -6.475 5.047 9.028 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.837 2.444 10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.660 4.045 9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.411 4.065 8.001 1.00 0.00 H new ATOM 762 N LEU A 51 -6.438 2.719 6.730 1.00 0.00 N ATOM 763 CA LEU A 51 -5.975 2.073 5.504 1.00 0.00 C ATOM 764 C LEU A 51 -4.735 1.249 5.780 1.00 0.00 C ATOM 765 O LEU A 51 -4.738 0.052 5.600 1.00 0.00 O ATOM 766 CB LEU A 51 -5.630 3.142 4.462 1.00 0.00 C ATOM 767 CG LEU A 51 -6.741 3.520 3.510 1.00 0.00 C ATOM 768 CD1 LEU A 51 -6.962 5.019 3.453 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.438 3.007 2.158 1.00 0.00 C ATOM 0 H LEU A 51 -6.739 3.683 6.587 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.768 1.424 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.306 4.041 4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.780 2.790 3.877 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.660 3.068 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.770 5.241 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.227 5.386 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.048 5.509 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.242 3.282 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.501 3.438 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.347 1.921 2.193 1.00 0.00 H new ATOM 781 N ILE A 52 -3.690 1.919 6.235 1.00 0.00 N ATOM 782 CA ILE A 52 -2.413 1.280 6.574 1.00 0.00 C ATOM 783 C ILE A 52 -2.647 -0.009 7.386 1.00 0.00 C ATOM 784 O ILE A 52 -2.179 -1.086 6.999 1.00 0.00 O ATOM 785 CB ILE A 52 -1.482 2.268 7.359 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.089 3.451 6.470 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.222 1.584 7.898 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.528 4.614 7.239 1.00 0.00 C ATOM 0 H ILE A 52 -3.696 2.928 6.383 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.913 1.012 5.643 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.053 2.625 8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.352 3.118 5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.964 3.783 5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.387 2.313 8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.507 0.780 8.577 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.351 1.171 7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.271 5.417 6.548 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.272 4.972 7.951 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.366 4.298 7.777 1.00 0.00 H new ATOM 800 N GLU A 53 -3.414 0.097 8.466 1.00 0.00 N ATOM 801 CA GLU A 53 -3.743 -1.066 9.295 1.00 0.00 C ATOM 802 C GLU A 53 -4.648 -2.022 8.558 1.00 0.00 C ATOM 803 O GLU A 53 -4.400 -3.226 8.543 1.00 0.00 O ATOM 804 CB GLU A 53 -4.383 -0.633 10.590 1.00 0.00 C ATOM 805 CG GLU A 53 -3.385 -0.122 11.570 1.00 0.00 C ATOM 806 CD GLU A 53 -3.862 -0.243 12.962 1.00 0.00 C ATOM 807 OE1 GLU A 53 -4.534 0.673 13.441 1.00 0.00 O ATOM 808 OE2 GLU A 53 -3.596 -1.269 13.578 1.00 0.00 O ATOM 0 H GLU A 53 -3.821 0.974 8.791 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.812 -1.586 9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.120 0.144 10.387 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.920 -1.475 11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.452 -0.674 11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.166 0.923 11.352 1.00 0.00 H new ATOM 815 N HIS A 54 -5.673 -1.487 7.928 1.00 0.00 N ATOM 816 CA HIS A 54 -6.604 -2.273 7.114 1.00 0.00 C ATOM 817 C HIS A 54 -5.816 -3.120 6.112 1.00 0.00 C ATOM 818 O HIS A 54 -6.072 -4.317 5.960 1.00 0.00 O ATOM 819 CB HIS A 54 -7.570 -1.346 6.369 1.00 0.00 C ATOM 820 CG HIS A 54 -8.780 -2.032 5.814 1.00 0.00 C ATOM 821 ND1 HIS A 54 -8.788 -3.349 5.382 1.00 0.00 N ATOM 822 CD2 HIS A 54 -10.034 -1.570 5.613 1.00 0.00 C ATOM 823 CE1 HIS A 54 -9.993 -3.654 4.940 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.768 -2.595 5.070 1.00 0.00 N ATOM 0 H HIS A 54 -5.893 -0.492 7.960 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.183 -2.928 7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.894 -0.557 7.048 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.034 -0.863 5.552 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -7.989 -3.982 5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.393 -0.577 5.838 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -10.294 -4.610 4.539 1.00 0.00 H new ATOM 833 N ILE A 55 -4.836 -2.500 5.467 1.00 0.00 N ATOM 834 CA ILE A 55 -3.967 -3.190 4.541 1.00 0.00 C ATOM 835 C ILE A 55 -3.061 -4.152 5.321 1.00 0.00 C ATOM 836 O ILE A 55 -2.924 -5.294 4.937 1.00 0.00 O ATOM 837 CB ILE A 55 -3.105 -2.201 3.692 1.00 0.00 C ATOM 838 CG1 ILE A 55 -3.986 -1.172 2.983 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.286 -2.953 2.659 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.215 -0.011 2.406 1.00 0.00 C ATOM 0 H ILE A 55 -4.627 -1.508 5.575 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.591 -3.748 3.842 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.435 -1.682 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.535 -1.667 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.725 -0.792 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.693 -2.245 2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.622 -3.656 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.954 -3.499 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.905 0.678 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.688 0.509 3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.494 -0.380 1.676 1.00 0.00 H new ATOM 852 N ALA A 56 -2.502 -3.688 6.454 1.00 0.00 N ATOM 853 CA ALA A 56 -1.663 -4.537 7.324 1.00 0.00 C ATOM 854 C ALA A 56 -2.420 -5.813 7.705 1.00 0.00 C ATOM 855 O ALA A 56 -1.995 -6.931 7.376 1.00 0.00 O ATOM 856 CB ALA A 56 -1.234 -3.767 8.590 1.00 0.00 C ATOM 0 H ALA A 56 -2.615 -2.731 6.789 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.764 -4.813 6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.617 -4.411 9.216 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.662 -2.885 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.119 -3.460 9.147 1.00 0.00 H new ATOM 862 N SER A 57 -3.580 -5.637 8.333 1.00 0.00 N ATOM 863 CA SER A 57 -4.444 -6.759 8.706 1.00 0.00 C ATOM 864 C SER A 57 -4.794 -7.609 7.470 1.00 0.00 C ATOM 865 O SER A 57 -4.779 -8.851 7.531 1.00 0.00 O ATOM 866 CB SER A 57 -5.719 -6.281 9.459 1.00 0.00 C ATOM 867 OG SER A 57 -6.230 -5.016 8.962 1.00 0.00 O ATOM 0 H SER A 57 -3.947 -4.723 8.597 1.00 0.00 H new ATOM 0 HA SER A 57 -3.891 -7.391 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.495 -7.041 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.492 -6.183 10.521 1.00 0.00 H new ATOM 0 HG SER A 57 -5.600 -4.299 9.184 1.00 0.00 H new ATOM 873 N PHE A 58 -5.029 -6.946 6.326 1.00 0.00 N ATOM 874 CA PHE A 58 -5.286 -7.662 5.078 1.00 0.00 C ATOM 875 C PHE A 58 -4.062 -8.490 4.688 1.00 0.00 C ATOM 876 O PHE A 58 -4.171 -9.688 4.485 1.00 0.00 O ATOM 877 CB PHE A 58 -5.663 -6.703 3.935 1.00 0.00 C ATOM 878 CG PHE A 58 -6.030 -7.421 2.667 1.00 0.00 C ATOM 879 CD1 PHE A 58 -7.278 -7.996 2.522 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.119 -7.541 1.630 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.615 -8.674 1.374 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.454 -8.216 0.476 1.00 0.00 C ATOM 883 CZ PHE A 58 -6.704 -8.783 0.351 1.00 0.00 C ATOM 0 H PHE A 58 -5.045 -5.929 6.245 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.135 -8.325 5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.501 -6.081 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.826 -6.033 3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.999 -7.912 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.137 -7.102 1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.594 -9.120 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.739 -8.300 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.968 -9.314 -0.552 1.00 0.00 H new ATOM 893 N VAL A 59 -2.889 -7.840 4.633 1.00 0.00 N ATOM 894 CA VAL A 59 -1.618 -8.505 4.311 1.00 0.00 C ATOM 895 C VAL A 59 -1.413 -9.719 5.206 1.00 0.00 C ATOM 896 O VAL A 59 -1.149 -10.810 4.709 1.00 0.00 O ATOM 897 CB VAL A 59 -0.408 -7.527 4.450 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.925 -8.234 4.209 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.564 -6.360 3.491 1.00 0.00 C ATOM 0 H VAL A 59 -2.796 -6.840 4.810 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.670 -8.831 3.272 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.402 -7.154 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.741 -7.519 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.048 -9.036 4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.938 -8.653 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.286 -5.685 3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.605 -6.733 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.485 -5.823 3.719 1.00 0.00 H new ATOM 909 N MET A 60 -1.595 -9.537 6.527 1.00 0.00 N ATOM 910 CA MET A 60 -1.494 -10.658 7.469 1.00 0.00 C ATOM 911 C MET A 60 -2.381 -11.800 6.992 1.00 0.00 C ATOM 912 O MET A 60 -1.905 -12.906 6.755 1.00 0.00 O ATOM 913 CB MET A 60 -1.915 -10.240 8.884 1.00 0.00 C ATOM 914 CG MET A 60 -0.787 -10.187 9.855 1.00 0.00 C ATOM 915 SD MET A 60 -1.130 -9.137 11.270 1.00 0.00 S ATOM 916 CE MET A 60 -1.262 -7.531 10.488 1.00 0.00 C ATOM 0 H MET A 60 -1.809 -8.638 6.958 1.00 0.00 H new ATOM 0 HA MET A 60 -0.453 -10.980 7.506 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.389 -9.259 8.837 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.666 -10.940 9.251 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.566 -11.196 10.203 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.106 -9.823 9.347 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.509 -6.861 10.903 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.104 -7.635 9.415 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.254 -7.118 10.670 1.00 0.00 H new ATOM 926 N SER A 61 -3.654 -11.482 6.758 1.00 0.00 N ATOM 927 CA SER A 61 -4.615 -12.417 6.235 1.00 0.00 C ATOM 928 C SER A 61 -4.123 -13.002 4.903 1.00 0.00 C ATOM 929 O SER A 61 -4.157 -14.221 4.702 1.00 0.00 O ATOM 930 CB SER A 61 -5.959 -11.710 6.057 1.00 0.00 C ATOM 931 OG SER A 61 -6.273 -10.874 7.197 1.00 0.00 O ATOM 0 H SER A 61 -4.039 -10.554 6.933 1.00 0.00 H new ATOM 0 HA SER A 61 -4.738 -13.243 6.936 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.934 -11.101 5.153 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.746 -12.451 5.920 1.00 0.00 H new ATOM 0 HG SER A 61 -5.918 -9.973 7.049 1.00 0.00 H new ATOM 937 N PHE A 62 -3.619 -12.124 4.030 1.00 0.00 N ATOM 938 CA PHE A 62 -3.059 -12.507 2.739 1.00 0.00 C ATOM 939 C PHE A 62 -2.040 -13.631 2.909 1.00 0.00 C ATOM 940 O PHE A 62 -2.246 -14.735 2.391 1.00 0.00 O ATOM 941 CB PHE A 62 -2.403 -11.289 2.068 1.00 0.00 C ATOM 942 CG PHE A 62 -2.450 -11.311 0.568 1.00 0.00 C ATOM 943 CD1 PHE A 62 -3.659 -11.221 -0.107 1.00 0.00 C ATOM 944 CD2 PHE A 62 -1.282 -11.415 -0.172 1.00 0.00 C ATOM 945 CE1 PHE A 62 -3.700 -11.234 -1.485 1.00 0.00 C ATOM 946 CE2 PHE A 62 -1.317 -11.429 -1.548 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.528 -11.337 -2.207 1.00 0.00 C ATOM 0 H PHE A 62 -3.590 -11.120 4.205 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.866 -12.869 2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.897 -10.384 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.362 -11.230 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.579 -11.140 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.333 -11.486 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.647 -11.164 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.399 -11.512 -2.112 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.558 -11.346 -3.287 1.00 0.00 H new ATOM 957 N LYS A 63 -0.966 -13.366 3.682 1.00 0.00 N ATOM 958 CA LYS A 63 0.072 -14.388 3.931 1.00 0.00 C ATOM 959 C LYS A 63 -0.488 -15.673 4.560 1.00 0.00 C ATOM 960 O LYS A 63 0.022 -16.764 4.286 1.00 0.00 O ATOM 961 CB LYS A 63 1.319 -13.865 4.716 1.00 0.00 C ATOM 962 CG LYS A 63 1.102 -12.659 5.634 1.00 0.00 C ATOM 963 CD LYS A 63 1.993 -11.466 5.246 1.00 0.00 C ATOM 964 CE LYS A 63 3.297 -11.450 6.063 1.00 0.00 C ATOM 965 NZ LYS A 63 4.483 -10.972 5.289 1.00 0.00 N ATOM 0 H LYS A 63 -0.796 -12.469 4.137 1.00 0.00 H new ATOM 0 HA LYS A 63 0.433 -14.642 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.709 -14.685 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.092 -13.606 3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.055 -12.357 5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.311 -12.947 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.229 -11.516 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.449 -10.536 5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.161 -10.811 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.496 -12.456 6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.330 -11.492 5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.324 -11.136 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.621 -9.955 5.458 1.00 0.00 H new ATOM 979 N ILE A 64 -1.586 -15.565 5.337 1.00 0.00 N ATOM 980 CA ILE A 64 -2.241 -16.750 5.896 1.00 0.00 C ATOM 981 C ILE A 64 -2.697 -17.644 4.753 1.00 0.00 C ATOM 982 O ILE A 64 -2.593 -18.880 4.822 1.00 0.00 O ATOM 983 CB ILE A 64 -3.484 -16.391 6.769 1.00 0.00 C ATOM 984 CG1 ILE A 64 -3.144 -15.379 7.843 1.00 0.00 C ATOM 985 CG2 ILE A 64 -4.069 -17.635 7.425 1.00 0.00 C ATOM 986 CD1 ILE A 64 -1.806 -15.576 8.482 1.00 0.00 C ATOM 0 H ILE A 64 -2.027 -14.679 5.585 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.517 -17.254 6.536 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.222 -15.953 6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.181 -14.380 7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.911 -15.418 8.617 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.934 -17.356 8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.376 -18.342 6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.316 -18.098 8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.647 -14.807 9.238 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.768 -16.559 8.951 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.027 -15.505 7.723 1.00 0.00 H new ATOM 998 N LYS A 65 -3.206 -17.008 3.696 1.00 0.00 N ATOM 999 CA LYS A 65 -3.671 -17.697 2.541 1.00 0.00 C ATOM 1000 C LYS A 65 -2.517 -18.028 1.589 1.00 0.00 C ATOM 1001 O LYS A 65 -2.404 -19.171 1.118 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.721 -16.861 1.818 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.975 -16.580 2.644 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.305 -15.085 2.684 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.704 -14.792 2.140 1.00 0.00 C ATOM 1006 NZ LYS A 65 -7.946 -15.428 0.817 1.00 0.00 N ATOM 0 H LYS A 65 -3.298 -15.994 3.639 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.120 -18.635 2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.274 -15.912 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.011 -17.375 0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.818 -17.127 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.831 -16.948 3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.232 -14.725 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.567 -14.535 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.449 -15.147 2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.837 -13.714 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.369 -14.733 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.044 -15.764 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.594 -16.233 0.932 1.00 0.00 H new ATOM 1020 N TYR A 66 -1.711 -17.024 1.249 1.00 0.00 N ATOM 1021 CA TYR A 66 -0.624 -17.195 0.290 1.00 0.00 C ATOM 1022 C TYR A 66 0.616 -16.396 0.705 1.00 0.00 C ATOM 1023 O TYR A 66 0.730 -15.241 0.370 1.00 0.00 O ATOM 1024 CB TYR A 66 -1.093 -16.740 -1.104 1.00 0.00 C ATOM 1025 CG TYR A 66 -0.106 -17.006 -2.218 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -0.076 -18.227 -2.876 1.00 0.00 C ATOM 1027 CD2 TYR A 66 0.785 -16.024 -2.621 1.00 0.00 C ATOM 1028 CE1 TYR A 66 0.813 -18.461 -3.898 1.00 0.00 C ATOM 1029 CE2 TYR A 66 1.675 -16.249 -3.641 1.00 0.00 C ATOM 1030 CZ TYR A 66 1.686 -17.469 -4.279 1.00 0.00 C ATOM 1031 OH TYR A 66 2.584 -17.700 -5.290 1.00 0.00 O ATOM 0 H TYR A 66 -1.792 -16.080 1.626 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.353 -18.250 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.031 -17.243 -1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.304 -15.671 -1.071 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.762 -19.007 -2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.779 -15.065 -2.124 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.826 -19.418 -4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.363 -15.473 -3.942 1.00 0.00 H new ATOM 0 HH TYR A 66 3.126 -16.897 -5.436 1.00 0.00 H new ATOM 1041 N PRO A 67 1.560 -17.013 1.448 1.00 0.00 N ATOM 1042 CA PRO A 67 2.798 -16.330 1.889 1.00 0.00 C ATOM 1043 C PRO A 67 3.903 -16.279 0.797 1.00 0.00 C ATOM 1044 O PRO A 67 4.958 -15.656 1.002 1.00 0.00 O ATOM 1045 CB PRO A 67 3.254 -17.205 3.041 1.00 0.00 C ATOM 1046 CG PRO A 67 2.829 -18.573 2.632 1.00 0.00 C ATOM 1047 CD PRO A 67 1.496 -18.404 1.954 1.00 0.00 C ATOM 0 HA PRO A 67 2.615 -15.285 2.139 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.333 -17.147 3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.790 -16.905 3.980 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.557 -19.023 1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.747 -19.232 3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.359 -19.123 1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.668 -18.544 2.649 1.00 0.00 H new ATOM 1055 N ASP A 68 3.677 -16.952 -0.353 1.00 0.00 N ATOM 1056 CA ASP A 68 4.674 -16.972 -1.455 1.00 0.00 C ATOM 1057 C ASP A 68 4.872 -15.590 -2.088 1.00 0.00 C ATOM 1058 O ASP A 68 5.792 -15.393 -2.884 1.00 0.00 O ATOM 1059 CB ASP A 68 4.287 -17.985 -2.533 1.00 0.00 C ATOM 1060 CG ASP A 68 5.453 -18.577 -3.264 1.00 0.00 C ATOM 1061 OD1 ASP A 68 6.440 -18.938 -2.626 1.00 0.00 O ATOM 1062 OD2 ASP A 68 5.386 -18.696 -4.488 1.00 0.00 O ATOM 0 H ASP A 68 2.827 -17.482 -0.544 1.00 0.00 H new ATOM 0 HA ASP A 68 5.621 -17.273 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.715 -18.790 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.629 -17.499 -3.254 1.00 0.00 H new ATOM 1067 N ASP A 69 4.025 -14.645 -1.715 1.00 0.00 N ATOM 1068 CA ASP A 69 4.071 -13.271 -2.184 1.00 0.00 C ATOM 1069 C ASP A 69 4.954 -12.390 -1.287 1.00 0.00 C ATOM 1070 O ASP A 69 4.844 -11.167 -1.341 1.00 0.00 O ATOM 1071 CB ASP A 69 2.654 -12.721 -2.144 1.00 0.00 C ATOM 1072 CG ASP A 69 2.285 -12.158 -0.777 1.00 0.00 C ATOM 1073 OD1 ASP A 69 2.349 -12.913 0.198 1.00 0.00 O ATOM 1074 OD2 ASP A 69 1.991 -10.954 -0.675 1.00 0.00 O ATOM 0 H ASP A 69 3.264 -14.818 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 69 4.490 -13.259 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.550 -11.939 -2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.953 -13.512 -2.409 1.00 0.00 H new ATOM 1079 N GLY A 70 5.747 -13.002 -0.423 1.00 0.00 N ATOM 1080 CA GLY A 70 6.533 -12.267 0.563 1.00 0.00 C ATOM 1081 C GLY A 70 7.105 -10.944 0.065 1.00 0.00 C ATOM 1082 O GLY A 70 7.041 -9.960 0.781 1.00 0.00 O ATOM 0 H GLY A 70 5.866 -14.014 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.907 -12.072 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.355 -12.900 0.897 1.00 0.00 H new ATOM 1086 N ASP A 71 7.569 -10.893 -1.196 1.00 0.00 N ATOM 1087 CA ASP A 71 8.093 -9.627 -1.791 1.00 0.00 C ATOM 1088 C ASP A 71 7.005 -8.559 -1.888 1.00 0.00 C ATOM 1089 O ASP A 71 7.269 -7.372 -1.660 1.00 0.00 O ATOM 1090 CB ASP A 71 8.698 -9.860 -3.190 1.00 0.00 C ATOM 1091 CG ASP A 71 10.057 -9.254 -3.336 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.921 -9.532 -2.500 1.00 0.00 O ATOM 1093 OD2 ASP A 71 10.273 -8.505 -4.297 1.00 0.00 O ATOM 0 H ASP A 71 7.597 -11.696 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 71 8.878 -9.276 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.759 -10.931 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.033 -9.439 -3.944 1.00 0.00 H new ATOM 1098 N LEU A 72 5.787 -8.987 -2.202 1.00 0.00 N ATOM 1099 CA LEU A 72 4.632 -8.096 -2.285 1.00 0.00 C ATOM 1100 C LEU A 72 4.207 -7.682 -0.912 1.00 0.00 C ATOM 1101 O LEU A 72 4.061 -6.490 -0.645 1.00 0.00 O ATOM 1102 CB LEU A 72 3.459 -8.778 -2.975 1.00 0.00 C ATOM 1103 CG LEU A 72 2.278 -7.860 -3.319 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.399 -7.294 -4.725 1.00 0.00 C ATOM 1105 CD2 LEU A 72 0.965 -8.602 -3.142 1.00 0.00 C ATOM 0 H LEU A 72 5.571 -9.963 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 72 4.927 -7.223 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.818 -9.241 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.098 -9.582 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 72 2.296 -7.016 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.545 -6.649 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.319 -6.715 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.420 -8.111 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.136 -7.939 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.945 -9.469 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.870 -8.931 -2.107 1.00 0.00 H new ATOM 1117 N SER A 73 4.051 -8.662 -0.028 1.00 0.00 N ATOM 1118 CA SER A 73 3.687 -8.383 1.353 1.00 0.00 C ATOM 1119 C SER A 73 4.682 -7.391 1.918 1.00 0.00 C ATOM 1120 O SER A 73 4.306 -6.310 2.332 1.00 0.00 O ATOM 1121 CB SER A 73 3.668 -9.660 2.179 1.00 0.00 C ATOM 1122 OG SER A 73 2.450 -10.386 1.989 1.00 0.00 O ATOM 0 H SER A 73 4.171 -9.652 -0.244 1.00 0.00 H new ATOM 0 HA SER A 73 2.683 -7.961 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.515 -10.288 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.786 -9.414 3.234 1.00 0.00 H new ATOM 0 HG SER A 73 2.273 -10.483 1.030 1.00 0.00 H new ATOM 1128 N GLU A 74 5.966 -7.724 1.780 1.00 0.00 N ATOM 1129 CA GLU A 74 7.060 -6.866 2.117 1.00 0.00 C ATOM 1130 C GLU A 74 6.852 -5.457 1.531 1.00 0.00 C ATOM 1131 O GLU A 74 6.923 -4.469 2.251 1.00 0.00 O ATOM 1132 CB GLU A 74 8.320 -7.486 1.537 1.00 0.00 C ATOM 1133 CG GLU A 74 9.559 -7.101 2.229 1.00 0.00 C ATOM 1134 CD GLU A 74 10.262 -8.279 2.796 1.00 0.00 C ATOM 1135 OE1 GLU A 74 9.774 -8.834 3.780 1.00 0.00 O ATOM 1136 OE2 GLU A 74 11.286 -8.672 2.243 1.00 0.00 O ATOM 0 H GLU A 74 6.263 -8.630 1.418 1.00 0.00 H new ATOM 0 HA GLU A 74 7.136 -6.765 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.223 -8.571 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.401 -7.202 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.219 -6.584 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.326 -6.398 3.028 1.00 0.00 H new ATOM 1143 N LEU A 75 6.562 -5.394 0.230 1.00 0.00 N ATOM 1144 CA LEU A 75 6.301 -4.126 -0.471 1.00 0.00 C ATOM 1145 C LEU A 75 5.165 -3.387 0.209 1.00 0.00 C ATOM 1146 O LEU A 75 5.275 -2.194 0.517 1.00 0.00 O ATOM 1147 CB LEU A 75 5.917 -4.390 -1.938 1.00 0.00 C ATOM 1148 CG LEU A 75 6.411 -3.394 -3.001 1.00 0.00 C ATOM 1149 CD1 LEU A 75 6.846 -2.074 -2.388 1.00 0.00 C ATOM 1150 CD2 LEU A 75 7.534 -4.002 -3.791 1.00 0.00 C ATOM 0 H LEU A 75 6.500 -6.216 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 75 7.209 -3.523 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.288 -5.379 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.829 -4.430 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 75 5.575 -3.179 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.187 -1.402 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.004 -1.621 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.659 -2.250 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.878 -3.290 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.358 -4.250 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.183 -4.908 -4.284 1.00 0.00 H new ATOM 1162 N VAL A 76 4.073 -4.102 0.439 1.00 0.00 N ATOM 1163 CA VAL A 76 2.922 -3.537 1.106 1.00 0.00 C ATOM 1164 C VAL A 76 3.337 -3.056 2.497 1.00 0.00 C ATOM 1165 O VAL A 76 3.136 -1.890 2.828 1.00 0.00 O ATOM 1166 CB VAL A 76 1.746 -4.558 1.208 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.507 -3.896 1.779 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.426 -5.177 -0.159 1.00 0.00 C ATOM 0 H VAL A 76 3.966 -5.080 0.169 1.00 0.00 H new ATOM 0 HA VAL A 76 2.560 -2.696 0.515 1.00 0.00 H new ATOM 0 HB VAL A 76 2.062 -5.355 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.300 -4.626 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.726 -3.512 2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.203 -3.073 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.603 -5.884 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.142 -4.390 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.306 -5.698 -0.537 1.00 0.00 H new ATOM 1178 N GLU A 77 4.002 -3.936 3.260 1.00 0.00 N ATOM 1179 CA GLU A 77 4.526 -3.595 4.583 1.00 0.00 C ATOM 1180 C GLU A 77 5.378 -2.323 4.507 1.00 0.00 C ATOM 1181 O GLU A 77 5.157 -1.376 5.284 1.00 0.00 O ATOM 1182 CB GLU A 77 5.332 -4.770 5.171 1.00 0.00 C ATOM 1183 CG GLU A 77 4.518 -6.067 5.331 1.00 0.00 C ATOM 1184 CD GLU A 77 5.360 -7.321 5.359 1.00 0.00 C ATOM 1185 OE1 GLU A 77 6.528 -7.266 5.778 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.839 -8.382 4.990 1.00 0.00 O ATOM 0 H GLU A 77 4.189 -4.898 2.976 1.00 0.00 H new ATOM 0 HA GLU A 77 3.686 -3.402 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.189 -4.968 4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.725 -4.477 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.939 -6.009 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.804 -6.139 4.511 1.00 0.00 H new ATOM 1193 N GLU A 78 6.304 -2.279 3.532 1.00 0.00 N ATOM 1194 CA GLU A 78 7.126 -1.088 3.281 1.00 0.00 C ATOM 1195 C GLU A 78 6.197 0.118 3.076 1.00 0.00 C ATOM 1196 O GLU A 78 6.305 1.131 3.768 1.00 0.00 O ATOM 1197 CB GLU A 78 7.981 -1.294 2.007 1.00 0.00 C ATOM 1198 CG GLU A 78 9.183 -2.227 2.170 1.00 0.00 C ATOM 1199 CD GLU A 78 10.480 -1.668 1.618 1.00 0.00 C ATOM 1200 OE1 GLU A 78 10.453 -0.874 0.661 1.00 0.00 O ATOM 1201 OE2 GLU A 78 11.530 -2.014 2.151 1.00 0.00 O ATOM 0 H GLU A 78 6.500 -3.059 2.905 1.00 0.00 H new ATOM 0 HA GLU A 78 7.788 -0.916 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.340 -1.689 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.340 -0.322 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.317 -2.448 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.966 -3.172 1.672 1.00 0.00 H new ATOM 1208 N TYR A 79 5.265 -0.044 2.131 1.00 0.00 N ATOM 1209 CA TYR A 79 4.271 0.975 1.794 1.00 0.00 C ATOM 1210 C TYR A 79 3.522 1.454 3.037 1.00 0.00 C ATOM 1211 O TYR A 79 3.419 2.669 3.281 1.00 0.00 O ATOM 1212 CB TYR A 79 3.282 0.424 0.754 1.00 0.00 C ATOM 1213 CG TYR A 79 2.573 1.467 -0.074 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.188 2.666 -0.409 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.287 1.243 -0.531 1.00 0.00 C ATOM 1216 CE1 TYR A 79 2.545 3.601 -1.170 1.00 0.00 C ATOM 1217 CE2 TYR A 79 0.630 2.179 -1.296 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.259 3.354 -1.613 1.00 0.00 C ATOM 1219 OH TYR A 79 0.606 4.283 -2.387 1.00 0.00 O ATOM 0 H TYR A 79 5.180 -0.895 1.575 1.00 0.00 H new ATOM 0 HA TYR A 79 4.795 1.831 1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.821 -0.245 0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.534 -0.177 1.271 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.192 2.863 -0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.790 0.317 -0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.038 4.528 -1.424 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.374 1.989 -1.644 1.00 0.00 H new ATOM 0 HH TYR A 79 0.531 5.126 -1.893 1.00 0.00 H new ATOM 1229 N LEU A 80 2.982 0.510 3.817 1.00 0.00 N ATOM 1230 CA LEU A 80 2.261 0.850 5.051 1.00 0.00 C ATOM 1231 C LEU A 80 3.139 1.705 5.936 1.00 0.00 C ATOM 1232 O LEU A 80 2.726 2.786 6.373 1.00 0.00 O ATOM 1233 CB LEU A 80 1.837 -0.419 5.804 1.00 0.00 C ATOM 1234 CG LEU A 80 1.072 -1.454 4.979 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.517 -2.535 5.850 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.017 -0.798 4.161 1.00 0.00 C ATOM 0 H LEU A 80 3.030 -0.489 3.618 1.00 0.00 H new ATOM 0 HA LEU A 80 1.362 1.406 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.730 -0.894 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.217 -0.127 6.652 1.00 0.00 H new ATOM 0 HG LEU A 80 1.776 -1.916 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.022 -3.256 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.332 -3.038 6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.165 -2.100 6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.545 -1.557 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.718 -0.294 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.427 -0.069 3.482 1.00 0.00 H new ATOM 1248 N ASP A 81 4.383 1.245 6.137 1.00 0.00 N ATOM 1249 CA ASP A 81 5.378 1.989 6.926 1.00 0.00 C ATOM 1250 C ASP A 81 5.547 3.383 6.390 1.00 0.00 C ATOM 1251 O ASP A 81 5.387 4.353 7.125 1.00 0.00 O ATOM 1252 CB ASP A 81 6.737 1.301 6.909 1.00 0.00 C ATOM 1253 CG ASP A 81 7.647 1.816 7.987 1.00 0.00 C ATOM 1254 OD1 ASP A 81 7.323 1.647 9.170 1.00 0.00 O ATOM 1255 OD2 ASP A 81 8.683 2.389 7.652 1.00 0.00 O ATOM 0 H ASP A 81 4.725 0.360 5.763 1.00 0.00 H new ATOM 0 HA ASP A 81 5.006 2.023 7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.600 0.227 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.206 1.452 5.937 1.00 0.00 H new ATOM 1260 N ASP A 82 5.906 3.485 5.111 1.00 0.00 N ATOM 1261 CA ASP A 82 6.114 4.804 4.466 1.00 0.00 C ATOM 1262 C ASP A 82 4.912 5.706 4.706 1.00 0.00 C ATOM 1263 O ASP A 82 5.053 6.817 5.228 1.00 0.00 O ATOM 1264 CB ASP A 82 6.354 4.675 2.956 1.00 0.00 C ATOM 1265 CG ASP A 82 7.622 3.970 2.615 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.686 4.341 3.134 1.00 0.00 O ATOM 1267 OD2 ASP A 82 7.572 3.048 1.822 1.00 0.00 O ATOM 0 H ASP A 82 6.060 2.686 4.497 1.00 0.00 H new ATOM 0 HA ASP A 82 7.004 5.242 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.517 4.139 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.370 5.670 2.512 1.00 0.00 H new ATOM 1272 N THR A 83 3.718 5.199 4.370 1.00 0.00 N ATOM 1273 CA THR A 83 2.462 5.936 4.598 1.00 0.00 C ATOM 1274 C THR A 83 2.364 6.351 6.073 1.00 0.00 C ATOM 1275 O THR A 83 2.164 7.535 6.392 1.00 0.00 O ATOM 1276 CB THR A 83 1.232 5.074 4.213 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.479 4.278 3.052 1.00 0.00 O ATOM 1278 CG2 THR A 83 -0.012 5.896 3.932 1.00 0.00 C ATOM 0 H THR A 83 3.593 4.283 3.940 1.00 0.00 H new ATOM 0 HA THR A 83 2.468 6.825 3.967 1.00 0.00 H new ATOM 0 HB THR A 83 1.062 4.444 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.947 3.457 3.312 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.835 5.232 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.278 6.469 4.820 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.182 6.579 3.105 1.00 0.00 H new ATOM 1286 N TYR A 84 2.547 5.364 6.957 1.00 0.00 N ATOM 1287 CA TYR A 84 2.539 5.564 8.408 1.00 0.00 C ATOM 1288 C TYR A 84 3.529 6.671 8.780 1.00 0.00 C ATOM 1289 O TYR A 84 3.170 7.623 9.467 1.00 0.00 O ATOM 1290 CB TYR A 84 2.876 4.209 9.099 1.00 0.00 C ATOM 1291 CG TYR A 84 3.600 4.267 10.426 1.00 0.00 C ATOM 1292 CD1 TYR A 84 4.985 4.337 10.477 1.00 0.00 C ATOM 1293 CD2 TYR A 84 2.901 4.218 11.622 1.00 0.00 C ATOM 1294 CE1 TYR A 84 5.648 4.359 11.675 1.00 0.00 C ATOM 1295 CE2 TYR A 84 3.562 4.245 12.831 1.00 0.00 C ATOM 1296 CZ TYR A 84 4.938 4.314 12.850 1.00 0.00 C ATOM 1297 OH TYR A 84 5.607 4.339 14.048 1.00 0.00 O ATOM 0 H TYR A 84 2.706 4.395 6.681 1.00 0.00 H new ATOM 0 HA TYR A 84 1.556 5.885 8.752 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.943 3.665 9.247 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.482 3.621 8.410 1.00 0.00 H new ATOM 0 HD1 TYR A 84 5.549 4.375 9.557 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.823 4.158 11.606 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.727 4.412 11.696 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.006 4.212 13.756 1.00 0.00 H new ATOM 0 HH TYR A 84 4.961 4.302 14.784 1.00 0.00 H new ATOM 1307 N THR A 85 4.747 6.551 8.273 1.00 0.00 N ATOM 1308 CA THR A 85 5.806 7.535 8.480 1.00 0.00 C ATOM 1309 C THR A 85 5.358 8.932 8.002 1.00 0.00 C ATOM 1310 O THR A 85 5.290 9.868 8.803 1.00 0.00 O ATOM 1311 CB THR A 85 7.090 7.086 7.734 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.429 5.745 8.075 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.310 7.946 8.016 1.00 0.00 C ATOM 0 H THR A 85 5.034 5.758 7.699 1.00 0.00 H new ATOM 0 HA THR A 85 6.021 7.601 9.547 1.00 0.00 H new ATOM 0 HB THR A 85 6.841 7.186 6.678 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.853 5.126 7.579 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.163 7.563 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.109 8.974 7.713 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.535 7.919 9.082 1.00 0.00 H new ATOM 1321 N LEU A 86 5.045 9.047 6.705 1.00 0.00 N ATOM 1322 CA LEU A 86 4.625 10.314 6.072 1.00 0.00 C ATOM 1323 C LEU A 86 3.570 11.027 6.872 1.00 0.00 C ATOM 1324 O LEU A 86 3.785 12.133 7.351 1.00 0.00 O ATOM 1325 CB LEU A 86 4.048 10.036 4.688 1.00 0.00 C ATOM 1326 CG LEU A 86 4.816 10.564 3.447 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.171 11.158 3.804 1.00 0.00 C ATOM 1328 CD2 LEU A 86 4.970 9.472 2.412 1.00 0.00 C ATOM 0 H LEU A 86 5.075 8.260 6.056 1.00 0.00 H new ATOM 0 HA LEU A 86 5.512 10.945 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.948 8.956 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.042 10.454 4.658 1.00 0.00 H new ATOM 0 HG LEU A 86 4.218 11.372 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.664 11.511 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.033 11.993 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.789 10.396 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.511 9.862 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.525 8.639 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.985 9.128 2.097 1.00 0.00 H new ATOM 1340 N PHE A 87 2.400 10.411 6.969 1.00 0.00 N ATOM 1341 CA PHE A 87 1.276 11.027 7.653 1.00 0.00 C ATOM 1342 C PHE A 87 1.517 11.215 9.137 1.00 0.00 C ATOM 1343 O PHE A 87 0.879 12.068 9.770 1.00 0.00 O ATOM 1344 CB PHE A 87 -0.014 10.301 7.335 1.00 0.00 C ATOM 1345 CG PHE A 87 -0.345 10.448 5.877 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.697 11.684 5.360 1.00 0.00 C ATOM 1347 CD2 PHE A 87 -0.236 9.372 5.013 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.933 11.845 4.018 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.485 9.526 3.662 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.831 10.768 3.165 1.00 0.00 C ATOM 0 H PHE A 87 2.206 9.487 6.583 1.00 0.00 H new ATOM 0 HA PHE A 87 1.171 12.040 7.265 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.082 9.245 7.589 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.825 10.703 7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.787 12.532 6.022 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.046 8.403 5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.199 12.817 3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.409 8.678 2.997 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.021 10.894 2.109 1.00 0.00 H new ATOM 1360 N SER A 88 2.526 10.527 9.663 1.00 0.00 N ATOM 1361 CA SER A 88 2.959 10.744 11.017 1.00 0.00 C ATOM 1362 C SER A 88 3.860 12.003 11.110 1.00 0.00 C ATOM 1363 O SER A 88 4.065 12.550 12.212 1.00 0.00 O ATOM 1364 CB SER A 88 3.686 9.533 11.519 1.00 0.00 C ATOM 1365 OG SER A 88 2.777 8.459 11.779 1.00 0.00 O ATOM 0 H SER A 88 3.054 9.814 9.160 1.00 0.00 H new ATOM 0 HA SER A 88 2.083 10.912 11.643 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.426 9.218 10.783 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.229 9.783 12.430 1.00 0.00 H new ATOM 0 HG SER A 88 2.691 7.902 10.978 1.00 0.00 H new ATOM 1371 N SER A 89 4.361 12.481 9.966 1.00 0.00 N ATOM 1372 CA SER A 89 5.151 13.687 9.915 1.00 0.00 C ATOM 1373 C SER A 89 4.214 14.869 9.777 1.00 0.00 C ATOM 1374 O SER A 89 3.614 15.066 8.714 1.00 0.00 O ATOM 1375 CB SER A 89 6.109 13.655 8.717 1.00 0.00 C ATOM 1376 OG SER A 89 6.915 12.478 8.727 1.00 0.00 O ATOM 0 H SER A 89 4.223 12.035 9.059 1.00 0.00 H new ATOM 0 HA SER A 89 5.742 13.770 10.827 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.537 13.698 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.749 14.537 8.738 1.00 0.00 H new ATOM 0 HG SER A 89 7.215 12.279 7.815 1.00 0.00 H new ATOM 1382 N TYR A 90 4.083 15.654 10.847 1.00 0.00 N ATOM 1383 CA TYR A 90 3.225 16.843 10.836 1.00 0.00 C ATOM 1384 C TYR A 90 3.514 17.654 9.575 1.00 0.00 C ATOM 1385 O TYR A 90 2.613 17.934 8.784 1.00 0.00 O ATOM 1386 CB TYR A 90 3.443 17.676 12.116 1.00 0.00 C ATOM 1387 CG TYR A 90 3.365 16.842 13.392 1.00 0.00 C ATOM 1388 CD1 TYR A 90 2.152 16.353 13.852 1.00 0.00 C ATOM 1389 CD2 TYR A 90 4.512 16.518 14.105 1.00 0.00 C ATOM 1390 CE1 TYR A 90 2.083 15.573 14.987 1.00 0.00 C ATOM 1391 CE2 TYR A 90 4.455 15.734 15.231 1.00 0.00 C ATOM 1392 CZ TYR A 90 3.241 15.263 15.672 1.00 0.00 C ATOM 1393 OH TYR A 90 3.185 14.470 16.792 1.00 0.00 O ATOM 0 H TYR A 90 4.560 15.489 11.734 1.00 0.00 H new ATOM 0 HA TYR A 90 2.177 16.545 10.823 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.418 18.161 12.065 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.695 18.467 12.160 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.246 16.587 13.312 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.468 16.890 13.767 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.129 15.207 15.338 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.360 15.489 15.768 1.00 0.00 H new ATOM 0 HH TYR A 90 4.088 14.349 17.152 1.00 0.00 H new ATOM 1403 N GLY A 91 4.797 17.864 9.307 1.00 0.00 N ATOM 1404 CA GLY A 91 5.207 18.446 8.051 1.00 0.00 C ATOM 1405 C GLY A 91 5.689 17.361 7.123 1.00 0.00 C ATOM 1406 O GLY A 91 6.569 16.567 7.502 1.00 0.00 O ATOM 0 H GLY A 91 5.562 17.639 9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.373 18.982 7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.001 19.174 8.218 1.00 0.00 H new ATOM 1410 N ILE A 92 5.116 17.297 5.930 1.00 0.00 N ATOM 1411 CA ILE A 92 5.482 16.274 4.957 1.00 0.00 C ATOM 1412 C ILE A 92 6.868 16.547 4.398 1.00 0.00 C ATOM 1413 O ILE A 92 7.162 17.678 3.985 1.00 0.00 O ATOM 1414 CB ILE A 92 4.452 16.184 3.799 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.070 15.939 4.362 1.00 0.00 C ATOM 1416 CG2 ILE A 92 4.804 15.063 2.825 1.00 0.00 C ATOM 1417 CD1 ILE A 92 2.916 14.603 5.076 1.00 0.00 C ATOM 0 H ILE A 92 4.394 17.942 5.610 1.00 0.00 H new ATOM 0 HA ILE A 92 5.484 15.316 5.477 1.00 0.00 H new ATOM 0 HB ILE A 92 4.474 17.130 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.826 16.741 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.345 15.990 3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.062 15.028 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.789 15.249 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.812 14.110 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.897 14.506 5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.126 13.792 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.615 14.554 5.911 1.00 0.00 H new ATOM 1429 N ASN A 93 7.703 15.522 4.377 1.00 0.00 N ATOM 1430 CA ASN A 93 9.066 15.642 3.862 1.00 0.00 C ATOM 1431 C ASN A 93 9.195 14.881 2.560 1.00 0.00 C ATOM 1432 O ASN A 93 8.862 13.685 2.497 1.00 0.00 O ATOM 1433 CB ASN A 93 10.103 15.118 4.877 1.00 0.00 C ATOM 1434 CG ASN A 93 9.898 15.666 6.280 1.00 0.00 C ATOM 1435 OD1 ASN A 93 10.478 16.690 6.652 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.090 14.989 7.075 1.00 0.00 N ATOM 0 H ASN A 93 7.463 14.589 4.712 1.00 0.00 H new ATOM 0 HA ASN A 93 9.266 16.700 3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.053 14.030 4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.103 15.382 4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.929 15.309 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.627 14.147 6.734 1.00 0.00 H new ATOM 1443 N ASP A 94 9.660 15.566 1.506 1.00 0.00 N ATOM 1444 CA ASP A 94 9.823 14.942 0.183 1.00 0.00 C ATOM 1445 C ASP A 94 10.602 13.617 0.220 1.00 0.00 C ATOM 1446 O ASP A 94 10.173 12.674 -0.419 1.00 0.00 O ATOM 1447 CB ASP A 94 10.392 15.903 -0.896 1.00 0.00 C ATOM 1448 CG ASP A 94 11.696 16.538 -0.536 1.00 0.00 C ATOM 1449 OD1 ASP A 94 11.683 17.534 0.186 1.00 0.00 O ATOM 1450 OD2 ASP A 94 12.733 16.057 -0.982 1.00 0.00 O ATOM 0 H ASP A 94 9.929 16.549 1.542 1.00 0.00 H new ATOM 0 HA ASP A 94 8.805 14.700 -0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.517 15.350 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.661 16.688 -1.087 1.00 0.00 H new ATOM 1455 N PRO A 95 11.758 13.503 0.968 1.00 0.00 N ATOM 1456 CA PRO A 95 12.528 12.239 1.025 1.00 0.00 C ATOM 1457 C PRO A 95 11.642 11.031 1.385 1.00 0.00 C ATOM 1458 O PRO A 95 11.469 10.106 0.573 1.00 0.00 O ATOM 1459 CB PRO A 95 13.591 12.492 2.121 1.00 0.00 C ATOM 1460 CG PRO A 95 13.195 13.775 2.789 1.00 0.00 C ATOM 1461 CD PRO A 95 12.401 14.558 1.784 1.00 0.00 C ATOM 0 HA PRO A 95 12.965 11.990 0.058 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.617 11.671 2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.588 12.569 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.602 13.579 3.683 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.075 14.334 3.107 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.664 15.201 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.039 15.202 1.179 1.00 0.00 H new ATOM 1469 N GLU A 96 11.028 11.074 2.577 1.00 0.00 N ATOM 1470 CA GLU A 96 10.110 10.000 3.009 1.00 0.00 C ATOM 1471 C GLU A 96 8.938 9.867 2.034 1.00 0.00 C ATOM 1472 O GLU A 96 8.477 8.744 1.756 1.00 0.00 O ATOM 1473 CB GLU A 96 9.590 10.187 4.455 1.00 0.00 C ATOM 1474 CG GLU A 96 9.853 11.548 5.086 1.00 0.00 C ATOM 1475 CD GLU A 96 9.147 11.702 6.384 1.00 0.00 C ATOM 1476 OE1 GLU A 96 9.583 11.092 7.366 1.00 0.00 O ATOM 1477 OE2 GLU A 96 8.157 12.435 6.433 1.00 0.00 O ATOM 0 H GLU A 96 11.145 11.828 3.254 1.00 0.00 H new ATOM 0 HA GLU A 96 10.692 9.078 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.515 10.008 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.044 9.422 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.925 11.677 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.531 12.334 4.402 1.00 0.00 H new ATOM 1484 N LEU A 97 8.482 11.007 1.479 1.00 0.00 N ATOM 1485 CA LEU A 97 7.419 10.988 0.478 1.00 0.00 C ATOM 1486 C LEU A 97 7.887 10.186 -0.726 1.00 0.00 C ATOM 1487 O LEU A 97 7.192 9.278 -1.176 1.00 0.00 O ATOM 1488 CB LEU A 97 7.012 12.409 0.048 1.00 0.00 C ATOM 1489 CG LEU A 97 6.009 12.492 -1.114 1.00 0.00 C ATOM 1490 CD1 LEU A 97 4.615 12.092 -0.668 1.00 0.00 C ATOM 1491 CD2 LEU A 97 6.001 13.881 -1.726 1.00 0.00 C ATOM 0 H LEU A 97 8.833 11.937 1.709 1.00 0.00 H new ATOM 0 HA LEU A 97 6.538 10.521 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.585 12.921 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.912 12.955 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 97 6.330 11.785 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.929 12.161 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.632 11.067 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.281 12.760 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.283 13.913 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.719 14.611 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.995 14.117 -2.105 1.00 0.00 H new ATOM 1503 N GLN A 98 9.086 10.502 -1.228 1.00 0.00 N ATOM 1504 CA GLN A 98 9.663 9.774 -2.349 1.00 0.00 C ATOM 1505 C GLN A 98 9.811 8.304 -2.018 1.00 0.00 C ATOM 1506 O GLN A 98 9.499 7.463 -2.848 1.00 0.00 O ATOM 1507 CB GLN A 98 10.981 10.394 -2.798 1.00 0.00 C ATOM 1508 CG GLN A 98 10.834 11.825 -3.300 1.00 0.00 C ATOM 1509 CD GLN A 98 9.601 12.035 -4.135 1.00 0.00 C ATOM 1510 OE1 GLN A 98 9.237 11.183 -4.962 1.00 0.00 O ATOM 1511 NE2 GLN A 98 8.952 13.138 -3.952 1.00 0.00 N ATOM 0 H GLN A 98 9.671 11.258 -0.871 1.00 0.00 H new ATOM 0 HA GLN A 98 8.976 9.852 -3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.684 10.379 -1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.412 9.781 -3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 98 10.807 12.502 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 98 11.713 12.089 -3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.281 13.815 -3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.111 13.331 -4.496 1.00 0.00 H new ATOM 1520 N ARG A 99 10.183 7.998 -0.770 1.00 0.00 N ATOM 1521 CA ARG A 99 10.217 6.616 -0.295 1.00 0.00 C ATOM 1522 C ARG A 99 8.869 5.961 -0.608 1.00 0.00 C ATOM 1523 O ARG A 99 8.797 5.004 -1.374 1.00 0.00 O ATOM 1524 CB ARG A 99 10.452 6.579 1.226 1.00 0.00 C ATOM 1525 CG ARG A 99 11.786 6.015 1.643 1.00 0.00 C ATOM 1526 CD ARG A 99 11.990 4.604 1.107 1.00 0.00 C ATOM 1527 NE ARG A 99 10.866 3.687 1.415 1.00 0.00 N ATOM 1528 CZ ARG A 99 10.830 2.383 1.045 1.00 0.00 C ATOM 1529 NH1 ARG A 99 11.864 1.834 0.395 1.00 0.00 N ATOM 1530 NH2 ARG A 99 9.777 1.644 1.319 1.00 0.00 N ATOM 0 H ARG A 99 10.464 8.689 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 99 11.028 6.083 -0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.362 7.592 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.662 5.987 1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.585 6.662 1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 99 11.854 6.005 2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.125 4.650 0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.909 4.194 1.526 1.00 0.00 H new ATOM 0 HE ARG A 99 10.072 4.060 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.685 2.397 0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.830 0.852 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.982 2.051 1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.755 0.664 1.038 1.00 0.00 H new ATOM 1544 N TRP A 100 7.799 6.603 -0.119 1.00 0.00 N ATOM 1545 CA TRP A 100 6.409 6.188 -0.394 1.00 0.00 C ATOM 1546 C TRP A 100 6.202 6.076 -1.896 1.00 0.00 C ATOM 1547 O TRP A 100 5.662 5.078 -2.406 1.00 0.00 O ATOM 1548 CB TRP A 100 5.444 7.241 0.180 1.00 0.00 C ATOM 1549 CG TRP A 100 4.041 6.777 0.377 1.00 0.00 C ATOM 1550 CD1 TRP A 100 3.618 5.838 1.249 1.00 0.00 C ATOM 1551 CD2 TRP A 100 2.871 7.250 -0.302 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.267 5.697 1.168 1.00 0.00 N ATOM 1553 CE2 TRP A 100 1.778 6.547 0.225 1.00 0.00 C ATOM 1554 CE3 TRP A 100 2.643 8.201 -1.302 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 0.471 6.758 -0.209 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 1.346 8.411 -1.735 1.00 0.00 C ATOM 1557 CH2 TRP A 100 0.277 7.692 -1.186 1.00 0.00 C ATOM 0 H TRP A 100 7.869 7.426 0.479 1.00 0.00 H new ATOM 0 HA TRP A 100 6.216 5.221 0.071 1.00 0.00 H new ATOM 0 HB2 TRP A 100 5.834 7.584 1.138 1.00 0.00 H new ATOM 0 HB3 TRP A 100 5.434 8.103 -0.487 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.259 5.279 1.915 1.00 0.00 H new ATOM 0 HE1 TRP A 100 1.707 5.054 1.728 1.00 0.00 H new ATOM 0 HE3 TRP A 100 3.463 8.760 -1.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -0.356 6.205 0.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.155 9.140 -2.508 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.724 7.881 -1.544 1.00 0.00 H new ATOM 1568 N GLN A 101 6.634 7.122 -2.598 1.00 0.00 N ATOM 1569 CA GLN A 101 6.538 7.209 -4.038 1.00 0.00 C ATOM 1570 C GLN A 101 7.151 6.003 -4.731 1.00 0.00 C ATOM 1571 O GLN A 101 6.570 5.511 -5.696 1.00 0.00 O ATOM 1572 CB GLN A 101 7.177 8.489 -4.532 1.00 0.00 C ATOM 1573 CG GLN A 101 6.536 9.722 -3.963 1.00 0.00 C ATOM 1574 CD GLN A 101 5.538 10.323 -4.909 1.00 0.00 C ATOM 1575 OE1 GLN A 101 5.272 9.773 -5.995 1.00 0.00 O ATOM 1576 NE2 GLN A 101 4.958 11.408 -4.508 1.00 0.00 N ATOM 0 H GLN A 101 7.065 7.940 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 101 5.478 7.218 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.236 8.484 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.116 8.523 -5.620 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.042 9.473 -3.024 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.306 10.458 -3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.211 11.820 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.248 11.852 -5.090 1.00 0.00 H new ATOM 1585 N LYS A 102 8.308 5.551 -4.273 1.00 0.00 N ATOM 1586 CA LYS A 102 8.956 4.390 -4.874 1.00 0.00 C ATOM 1587 C LYS A 102 8.190 3.118 -4.526 1.00 0.00 C ATOM 1588 O LYS A 102 7.839 2.331 -5.415 1.00 0.00 O ATOM 1589 CB LYS A 102 10.418 4.279 -4.420 1.00 0.00 C ATOM 1590 CG LYS A 102 11.206 5.564 -4.553 1.00 0.00 C ATOM 1591 CD LYS A 102 12.068 5.805 -3.342 1.00 0.00 C ATOM 1592 CE LYS A 102 13.350 6.470 -3.747 1.00 0.00 C ATOM 1593 NZ LYS A 102 13.142 7.859 -4.248 1.00 0.00 N ATOM 0 H LYS A 102 8.817 5.965 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 102 8.949 4.518 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.440 3.958 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.910 3.501 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.832 5.519 -5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.521 6.401 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.535 6.430 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.281 4.859 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.028 6.493 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.834 5.876 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.737 8.019 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.142 7.990 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.401 8.539 -3.505 1.00 0.00 H new ATOM 1607 N THR A 103 7.917 2.934 -3.239 1.00 0.00 N ATOM 1608 CA THR A 103 7.180 1.768 -2.750 1.00 0.00 C ATOM 1609 C THR A 103 5.848 1.578 -3.497 1.00 0.00 C ATOM 1610 O THR A 103 5.551 0.462 -3.953 1.00 0.00 O ATOM 1611 CB THR A 103 6.972 1.869 -1.232 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.051 2.562 -0.652 1.00 0.00 O ATOM 1613 CG2 THR A 103 6.880 0.531 -0.529 1.00 0.00 C ATOM 0 H THR A 103 8.198 3.585 -2.505 1.00 0.00 H new ATOM 0 HA THR A 103 7.778 0.880 -2.953 1.00 0.00 H new ATOM 0 HB THR A 103 6.021 2.386 -1.105 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.760 2.977 0.187 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.733 0.691 0.539 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.039 -0.034 -0.930 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.802 -0.028 -0.689 1.00 0.00 H new ATOM 1621 N LYS A 104 5.059 2.664 -3.668 1.00 0.00 N ATOM 1622 CA LYS A 104 3.793 2.542 -4.410 1.00 0.00 C ATOM 1623 C LYS A 104 4.044 2.001 -5.818 1.00 0.00 C ATOM 1624 O LYS A 104 3.460 0.983 -6.206 1.00 0.00 O ATOM 1625 CB LYS A 104 2.975 3.862 -4.461 1.00 0.00 C ATOM 1626 CG LYS A 104 3.742 5.107 -4.896 1.00 0.00 C ATOM 1627 CD LYS A 104 3.221 5.648 -6.228 1.00 0.00 C ATOM 1628 CE LYS A 104 3.631 7.108 -6.454 1.00 0.00 C ATOM 1629 NZ LYS A 104 5.018 7.241 -6.967 1.00 0.00 N ATOM 0 H LYS A 104 5.269 3.598 -3.316 1.00 0.00 H new ATOM 0 HA LYS A 104 3.181 1.830 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.136 3.720 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.556 4.045 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.653 5.877 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.802 4.869 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.603 5.034 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.134 5.569 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.941 7.570 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.541 7.656 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.352 8.214 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.640 6.579 -6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.035 7.022 -7.984 1.00 0.00 H new ATOM 1643 N GLU A 105 4.981 2.625 -6.552 1.00 0.00 N ATOM 1644 CA GLU A 105 5.334 2.147 -7.895 1.00 0.00 C ATOM 1645 C GLU A 105 5.811 0.696 -7.818 1.00 0.00 C ATOM 1646 O GLU A 105 5.225 -0.181 -8.457 1.00 0.00 O ATOM 1647 CB GLU A 105 6.400 3.038 -8.576 1.00 0.00 C ATOM 1648 CG GLU A 105 6.215 4.549 -8.362 1.00 0.00 C ATOM 1649 CD GLU A 105 5.661 5.276 -9.552 1.00 0.00 C ATOM 1650 OE1 GLU A 105 6.117 5.034 -10.666 1.00 0.00 O ATOM 1651 OE2 GLU A 105 4.785 6.122 -9.367 1.00 0.00 O ATOM 0 H GLU A 105 5.499 3.448 -6.243 1.00 0.00 H new ATOM 0 HA GLU A 105 4.438 2.203 -8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.383 2.751 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.392 2.834 -9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.550 4.705 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.177 4.988 -8.098 1.00 0.00 H new ATOM 1658 N ARG A 106 6.805 0.447 -6.949 1.00 0.00 N ATOM 1659 CA ARG A 106 7.344 -0.901 -6.688 1.00 0.00 C ATOM 1660 C ARG A 106 6.209 -1.932 -6.578 1.00 0.00 C ATOM 1661 O ARG A 106 6.287 -3.028 -7.164 1.00 0.00 O ATOM 1662 CB ARG A 106 8.105 -0.890 -5.352 1.00 0.00 C ATOM 1663 CG ARG A 106 9.618 -0.867 -5.441 1.00 0.00 C ATOM 1664 CD ARG A 106 10.210 -0.765 -4.041 1.00 0.00 C ATOM 1665 NE ARG A 106 11.454 -1.553 -3.832 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.531 -2.904 -3.765 1.00 0.00 C ATOM 1667 NH1 ARG A 106 10.526 -3.653 -4.209 1.00 0.00 N ATOM 1668 NH2 ARG A 106 12.641 -3.488 -3.314 1.00 0.00 N ATOM 0 H ARG A 106 7.261 1.179 -6.404 1.00 0.00 H new ATOM 0 HA ARG A 106 8.002 -1.172 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.783 -0.019 -4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.809 -1.771 -4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.977 -1.770 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.944 -0.022 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.420 0.283 -3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.462 -1.095 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 106 12.324 -1.031 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.695 -3.211 -4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.586 -4.670 -4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.434 -2.918 -3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.698 -4.505 -3.264 1.00 0.00 H new ATOM 1682 N LEU A 107 5.170 -1.581 -5.813 1.00 0.00 N ATOM 1683 CA LEU A 107 4.035 -2.470 -5.592 1.00 0.00 C ATOM 1684 C LEU A 107 3.324 -2.790 -6.890 1.00 0.00 C ATOM 1685 O LEU A 107 3.119 -3.963 -7.230 1.00 0.00 O ATOM 1686 CB LEU A 107 3.025 -1.842 -4.601 1.00 0.00 C ATOM 1687 CG LEU A 107 2.529 -2.717 -3.425 1.00 0.00 C ATOM 1688 CD1 LEU A 107 2.835 -4.197 -3.627 1.00 0.00 C ATOM 1689 CD2 LEU A 107 3.108 -2.225 -2.117 1.00 0.00 C ATOM 0 H LEU A 107 5.096 -0.682 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 107 4.430 -3.393 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.481 -0.945 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.153 -1.520 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 107 1.444 -2.621 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.466 -4.765 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.346 -4.549 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.912 -4.337 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.748 -2.852 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.196 -2.274 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.797 -1.194 -1.946 1.00 0.00 H new ATOM 1701 N PHE A 108 2.961 -1.753 -7.630 1.00 0.00 N ATOM 1702 CA PHE A 108 2.237 -1.933 -8.876 1.00 0.00 C ATOM 1703 C PHE A 108 3.105 -2.578 -9.936 1.00 0.00 C ATOM 1704 O PHE A 108 2.599 -3.337 -10.775 1.00 0.00 O ATOM 1705 CB PHE A 108 1.621 -0.617 -9.357 1.00 0.00 C ATOM 1706 CG PHE A 108 0.641 -0.029 -8.370 1.00 0.00 C ATOM 1707 CD1 PHE A 108 -0.590 -0.628 -8.144 1.00 0.00 C ATOM 1708 CD2 PHE A 108 0.955 1.118 -7.663 1.00 0.00 C ATOM 1709 CE1 PHE A 108 -1.479 -0.092 -7.238 1.00 0.00 C ATOM 1710 CE2 PHE A 108 0.070 1.656 -6.757 1.00 0.00 C ATOM 1711 CZ PHE A 108 -1.147 1.051 -6.544 1.00 0.00 C ATOM 0 H PHE A 108 3.156 -0.781 -7.389 1.00 0.00 H new ATOM 0 HA PHE A 108 1.413 -2.620 -8.684 1.00 0.00 H new ATOM 0 HB2 PHE A 108 2.417 0.104 -9.543 1.00 0.00 H new ATOM 0 HB3 PHE A 108 1.114 -0.785 -10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.854 -1.525 -8.685 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.909 1.598 -7.825 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -2.435 -0.567 -7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 108 0.331 2.552 -6.214 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.842 1.472 -5.833 1.00 0.00 H new ATOM 1721 N ARG A 109 4.413 -2.337 -9.877 1.00 0.00 N ATOM 1722 CA ARG A 109 5.346 -2.962 -10.812 1.00 0.00 C ATOM 1723 C ARG A 109 5.468 -4.445 -10.553 1.00 0.00 C ATOM 1724 O ARG A 109 5.554 -5.227 -11.498 1.00 0.00 O ATOM 1725 CB ARG A 109 6.711 -2.283 -10.787 1.00 0.00 C ATOM 1726 CG ARG A 109 6.618 -0.775 -10.937 1.00 0.00 C ATOM 1727 CD ARG A 109 6.494 -0.349 -12.410 1.00 0.00 C ATOM 1728 NE ARG A 109 5.563 -1.210 -13.181 1.00 0.00 N ATOM 1729 CZ ARG A 109 5.911 -2.045 -14.195 1.00 0.00 C ATOM 1730 NH1 ARG A 109 7.193 -2.162 -14.565 1.00 0.00 N ATOM 1731 NH2 ARG A 109 4.977 -2.779 -14.797 1.00 0.00 N ATOM 0 H ARG A 109 4.849 -1.716 -9.195 1.00 0.00 H new ATOM 0 HA ARG A 109 4.937 -2.830 -11.814 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.213 -2.520 -9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.328 -2.687 -11.590 1.00 0.00 H new ATOM 0 HG2 ARG A 109 5.756 -0.408 -10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.502 -0.312 -10.499 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.149 0.684 -12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.479 -0.378 -12.876 1.00 0.00 H new ATOM 0 HE ARG A 109 4.576 -1.172 -12.928 1.00 0.00 H new ATOM 0 HH11 ARG A 109 7.914 -1.623 -14.085 1.00 0.00 H new ATOM 0 HH12 ARG A 109 7.449 -2.790 -15.327 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.004 -2.713 -14.497 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.234 -3.407 -15.559 1.00 0.00 H new ATOM 1745 N LEU A 110 5.374 -4.857 -9.283 1.00 0.00 N ATOM 1746 CA LEU A 110 5.372 -6.261 -8.977 1.00 0.00 C ATOM 1747 C LEU A 110 3.987 -6.835 -9.305 1.00 0.00 C ATOM 1748 O LEU A 110 3.864 -7.831 -10.051 1.00 0.00 O ATOM 1749 CB LEU A 110 5.841 -6.498 -7.541 1.00 0.00 C ATOM 1750 CG LEU A 110 4.855 -6.913 -6.536 1.00 0.00 C ATOM 1751 CD1 LEU A 110 4.327 -8.303 -6.859 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.492 -6.873 -5.159 1.00 0.00 C ATOM 0 H LEU A 110 5.300 -4.238 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 110 6.089 -6.801 -9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.623 -7.257 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.304 -5.576 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 110 4.009 -6.226 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.597 -8.599 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.853 -8.293 -7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.153 -9.014 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.761 -7.181 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.345 -7.551 -5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.827 -5.859 -4.943 1.00 0.00 H new ATOM 1764 N PHE A 111 2.940 -6.107 -8.868 1.00 0.00 N ATOM 1765 CA PHE A 111 1.536 -6.415 -9.229 1.00 0.00 C ATOM 1766 C PHE A 111 1.314 -6.448 -10.766 1.00 0.00 C ATOM 1767 O PHE A 111 0.219 -6.850 -11.220 1.00 0.00 O ATOM 1768 CB PHE A 111 0.592 -5.367 -8.657 1.00 0.00 C ATOM 1769 CG PHE A 111 0.143 -5.596 -7.259 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -0.508 -6.763 -6.896 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.349 -4.626 -6.309 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -0.940 -6.944 -5.602 1.00 0.00 C ATOM 1773 CE2 PHE A 111 -0.069 -4.800 -5.026 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.718 -5.956 -4.661 1.00 0.00 C ATOM 0 H PHE A 111 3.039 -5.294 -8.259 1.00 0.00 H new ATOM 0 HA PHE A 111 1.329 -7.401 -8.812 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.085 -4.396 -8.706 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.289 -5.310 -9.297 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.678 -7.535 -7.632 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.851 -3.710 -6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.450 -7.854 -5.323 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.109 -4.028 -4.292 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.053 -6.092 -3.643 1.00 0.00 H new ATOM 1784 N SER A 112 2.308 -6.006 -11.562 1.00 0.00 N ATOM 1785 CA SER A 112 2.182 -6.007 -13.018 1.00 0.00 C ATOM 1786 C SER A 112 2.288 -7.448 -13.567 1.00 0.00 C ATOM 1787 O SER A 112 1.854 -7.714 -14.695 1.00 0.00 O ATOM 1788 CB SER A 112 3.259 -5.110 -13.664 1.00 0.00 C ATOM 1789 OG SER A 112 3.158 -3.729 -13.230 1.00 0.00 O ATOM 0 H SER A 112 3.198 -5.648 -11.216 1.00 0.00 H new ATOM 0 HA SER A 112 1.202 -5.604 -13.274 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.247 -5.496 -13.414 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.164 -5.156 -14.749 1.00 0.00 H new ATOM 0 HG SER A 112 2.877 -3.701 -12.292 1.00 0.00 H new ATOM 1795 N GLY A 113 2.754 -8.395 -12.725 1.00 0.00 N ATOM 1796 CA GLY A 113 2.788 -9.785 -13.134 1.00 0.00 C ATOM 1797 C GLY A 113 4.121 -10.474 -12.952 1.00 0.00 C ATOM 1798 O GLY A 113 4.401 -11.444 -13.674 1.00 0.00 O ATOM 0 H GLY A 113 3.101 -8.213 -11.783 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.033 -10.332 -12.569 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.506 -9.845 -14.185 1.00 0.00 H new ATOM 1802 N GLU A 114 4.902 -10.082 -11.924 1.00 0.00 N ATOM 1803 CA GLU A 114 6.141 -10.799 -11.621 1.00 0.00 C ATOM 1804 C GLU A 114 5.797 -12.099 -10.888 1.00 0.00 C ATOM 1805 O GLU A 114 5.761 -13.169 -11.486 1.00 0.00 O ATOM 1806 CB GLU A 114 7.116 -9.948 -10.764 1.00 0.00 C ATOM 1807 CG GLU A 114 7.375 -8.536 -11.276 1.00 0.00 C ATOM 1808 CD GLU A 114 8.834 -8.247 -11.467 1.00 0.00 C ATOM 1809 OE1 GLU A 114 9.465 -8.913 -12.287 1.00 0.00 O ATOM 1810 OE2 GLU A 114 9.350 -7.350 -10.806 1.00 0.00 O ATOM 0 H GLU A 114 4.698 -9.294 -11.309 1.00 0.00 H new ATOM 0 HA GLU A 114 6.647 -11.015 -12.562 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.719 -9.882 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.069 -10.473 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.854 -8.397 -12.223 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.956 -7.817 -10.573 1.00 0.00 H new ATOM 1817 N TYR A 115 5.518 -11.983 -9.589 1.00 0.00 N ATOM 1818 CA TYR A 115 5.133 -13.127 -8.760 1.00 0.00 C ATOM 1819 C TYR A 115 3.615 -13.318 -8.775 1.00 0.00 C ATOM 1820 O TYR A 115 3.110 -14.438 -8.919 1.00 0.00 O ATOM 1821 CB TYR A 115 5.636 -12.977 -7.301 1.00 0.00 C ATOM 1822 CG TYR A 115 6.803 -12.017 -7.128 1.00 0.00 C ATOM 1823 CD1 TYR A 115 8.105 -12.422 -7.387 1.00 0.00 C ATOM 1824 CD2 TYR A 115 6.593 -10.704 -6.740 1.00 0.00 C ATOM 1825 CE1 TYR A 115 9.160 -11.548 -7.255 1.00 0.00 C ATOM 1826 CE2 TYR A 115 7.640 -9.822 -6.615 1.00 0.00 C ATOM 1827 CZ TYR A 115 8.924 -10.250 -6.870 1.00 0.00 C ATOM 1828 OH TYR A 115 9.971 -9.370 -6.759 1.00 0.00 O ATOM 0 H TYR A 115 5.552 -11.098 -9.083 1.00 0.00 H new ATOM 0 HA TYR A 115 5.608 -14.010 -9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 115 4.808 -12.637 -6.679 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.932 -13.958 -6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.293 -13.439 -7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.588 -10.367 -6.532 1.00 0.00 H new ATOM 0 HE1 TYR A 115 10.168 -11.881 -7.453 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.457 -8.800 -6.319 1.00 0.00 H new ATOM 0 HH TYR A 115 10.070 -9.096 -5.823 1.00 0.00 H new ATOM 1838 N ILE A 116 2.900 -12.197 -8.565 1.00 0.00 N ATOM 1839 CA ILE A 116 1.430 -12.147 -8.484 1.00 0.00 C ATOM 1840 C ILE A 116 0.740 -12.965 -9.590 1.00 0.00 C ATOM 1841 O ILE A 116 -0.309 -13.564 -9.346 1.00 0.00 O ATOM 1842 CB ILE A 116 0.924 -10.662 -8.521 1.00 0.00 C ATOM 1843 CG1 ILE A 116 1.507 -9.860 -7.350 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -0.588 -10.589 -8.486 1.00 0.00 C ATOM 1845 CD1 ILE A 116 0.913 -10.219 -6.007 1.00 0.00 C ATOM 0 H ILE A 116 3.337 -11.283 -8.445 1.00 0.00 H new ATOM 0 HA ILE A 116 1.159 -12.602 -7.531 1.00 0.00 H new ATOM 0 HB ILE A 116 1.267 -10.227 -9.460 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.585 -10.019 -7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.348 -8.798 -7.535 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.903 -9.546 -8.513 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.998 -11.114 -9.349 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -0.954 -11.055 -7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.376 -9.610 -5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.161 -10.033 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.095 -11.273 -5.799 1.00 0.00 H new ATOM 1857 N SER A 117 1.324 -12.984 -10.786 1.00 0.00 N ATOM 1858 CA SER A 117 0.775 -13.722 -11.934 1.00 0.00 C ATOM 1859 C SER A 117 0.321 -15.149 -11.547 1.00 0.00 C ATOM 1860 O SER A 117 -0.739 -15.614 -11.989 1.00 0.00 O ATOM 1861 CB SER A 117 1.817 -13.775 -13.062 1.00 0.00 C ATOM 1862 OG SER A 117 3.134 -13.474 -12.556 1.00 0.00 O ATOM 0 H SER A 117 2.192 -12.490 -10.992 1.00 0.00 H new ATOM 0 HA SER A 117 -0.111 -13.190 -12.281 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.815 -14.765 -13.519 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.551 -13.063 -13.843 1.00 0.00 H new ATOM 0 HG SER A 117 3.627 -12.947 -13.219 1.00 0.00 H new