USER MOD reduce.3.24.130724 H: found=0, std=0, add=1327, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1324 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 120 THR OG1 : rot -130:sc= 0.697 USER MOD Set 1.2: A 134 SER OG : rot 87:sc= 0.284 USER MOD Set 2.1: A 92 HIS : no HE2:sc= 0.746 K(o=1.7,f=-6.2!) USER MOD Set 2.2: A 94 MET CE :methyl -168:sc= -0.175 (180deg=-0.497) USER MOD Set 2.3: A 121 GLN : amide:sc= 1.14 K(o=1.7,f=0.066) USER MOD Set 3.1: A 43 SER OG : rot -25:sc= 0.68 USER MOD Set 3.2: A 63 TYR OH : rot 122:sc= 0.381 USER MOD Set 3.3: A 136 SER OG : rot 129:sc= 0.00121 USER MOD Set 4.1: A 48 HIS : no HD1:sc= -0.0246 X(o=-0.49,f=0) USER MOD Set 4.2: A 169 ASN : amide:sc= -0.461 X(o=-0.49,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 141:sc= -0.101 (180deg=-1.12) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -179:sc= -0.687 (180deg=-0.69) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.301 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : A 33 GLN : amide:sc= 0.855 K(o=0.86,f=0) USER MOD Single : A 35 GLN : amide:sc= 1.16 K(o=1.2,f=-0.31) USER MOD Single : A 36 GLN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A 39 TYR OH : rot 30:sc= 0.403 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -175:sc= 0.00204 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.0195 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -164:sc= 2.48 USER MOD Single : A 62 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.36) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 150:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.419 X(o=0.42,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.335 K(o=-0.34,f=-4!) USER MOD Single : A 87 ASN : amide:sc= 0.878 K(o=0.88,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.513 K(o=0.51,f=-4.9!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 1.01 K(o=1,f=-0.075) USER MOD Single : A 113 HIS : no HE2:sc= 0.0112 K(o=0.011,f=-3.7!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -141:sc= -0.366 (180deg=-0.651) USER MOD Single : A 138 CYS SG : rot -32:sc= 0.00593 USER MOD Single : A 139 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 147 SER OG : rot -100:sc= 1.29 USER MOD Single : A 151 GLN : amide:sc=-0.00845 K(o=-0.0084,f=-1.7!) USER MOD Single : A 153 LYS NZ :NH3+ 166:sc= 1.23 (180deg=0.881) USER MOD Single : A 154 MET CE :methyl -174:sc= -0.35 (180deg=-0.415) USER MOD Single : A 155 GLN : amide:sc= 0.268 X(o=0.27,f=0) USER MOD Single : A 161 SER OG : rot -78:sc= 0.212 USER MOD Single : A 163 MET CE :methyl 149:sc= -0.0184 (180deg=-0.345) USER MOD Single : A 166 MET CE :methyl 172:sc= 0 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 128 N TRP A 9 -2.880 18.892 10.258 1.00 0.84 N ATOM 129 CA TRP A 9 -3.207 18.102 9.065 1.00 0.78 C ATOM 130 C TRP A 9 -3.418 16.631 9.443 1.00 0.65 C ATOM 131 O TRP A 9 -4.419 16.022 9.058 1.00 0.60 O ATOM 132 CB TRP A 9 -2.085 18.260 8.024 1.00 0.84 C ATOM 133 CG TRP A 9 -2.283 17.482 6.757 1.00 0.86 C ATOM 134 CD1 TRP A 9 -2.882 17.949 5.639 1.00 1.98 C ATOM 135 CD2 TRP A 9 -1.921 16.094 6.460 1.00 1.88 C ATOM 136 NE1 TRP A 9 -2.931 16.954 4.683 1.00 1.54 N ATOM 137 CE2 TRP A 9 -2.379 15.778 5.145 1.00 1.38 C ATOM 138 CE3 TRP A 9 -1.265 15.063 7.172 1.00 3.87 C ATOM 139 CZ2 TRP A 9 -2.250 14.495 4.589 1.00 2.55 C ATOM 140 CZ3 TRP A 9 -1.113 13.779 6.615 1.00 5.21 C ATOM 141 CH2 TRP A 9 -1.625 13.486 5.339 1.00 4.53 C ATOM 0 HA TRP A 9 -4.137 18.466 8.628 1.00 0.78 H new ATOM 0 HB2 TRP A 9 -1.989 19.316 7.773 1.00 0.84 H new ATOM 0 HB3 TRP A 9 -1.143 17.953 8.478 1.00 0.84 H new ATOM 0 HD1 TRP A 9 -3.265 18.951 5.512 1.00 1.98 H new ATOM 0 HE1 TRP A 9 -3.327 17.074 3.751 1.00 1.54 H new ATOM 0 HE3 TRP A 9 -0.874 15.264 8.159 1.00 3.87 H new ATOM 0 HZ2 TRP A 9 -2.626 14.287 3.598 1.00 2.55 H new ATOM 0 HZ3 TRP A 9 -0.598 13.011 7.174 1.00 5.21 H new ATOM 0 HH2 TRP A 9 -1.538 12.488 4.937 1.00 4.53 H new ATOM 152 N ARG A 10 -2.529 16.094 10.290 1.00 0.65 N ATOM 153 CA ARG A 10 -2.634 14.743 10.846 1.00 0.59 C ATOM 154 C ARG A 10 -3.921 14.596 11.669 1.00 0.57 C ATOM 155 O ARG A 10 -4.668 13.642 11.473 1.00 0.53 O ATOM 156 CB ARG A 10 -1.375 14.427 11.678 1.00 0.66 C ATOM 157 CG ARG A 10 -1.235 12.925 11.950 1.00 0.78 C ATOM 158 CD ARG A 10 0.032 12.594 12.746 1.00 1.37 C ATOM 159 NE ARG A 10 -0.156 12.832 14.189 1.00 1.85 N ATOM 160 CZ ARG A 10 0.799 13.061 15.083 1.00 2.50 C ATOM 161 NH1 ARG A 10 2.061 13.210 14.732 1.00 2.94 N ATOM 162 NH2 ARG A 10 0.491 13.135 16.360 1.00 3.46 N ATOM 0 H ARG A 10 -1.703 16.598 10.612 1.00 0.65 H new ATOM 0 HA ARG A 10 -2.692 14.018 10.034 1.00 0.59 H new ATOM 0 HB2 ARG A 10 -0.491 14.785 11.150 1.00 0.66 H new ATOM 0 HB3 ARG A 10 -1.420 14.965 12.625 1.00 0.66 H new ATOM 0 HG2 ARG A 10 -2.109 12.575 12.500 1.00 0.78 H new ATOM 0 HG3 ARG A 10 -1.217 12.386 11.002 1.00 0.78 H new ATOM 0 HD2 ARG A 10 0.304 11.551 12.581 1.00 1.37 H new ATOM 0 HD3 ARG A 10 0.861 13.201 12.381 1.00 1.37 H new ATOM 0 HE ARG A 10 -1.115 12.820 14.535 1.00 1.85 H new ATOM 0 HH11 ARG A 10 2.327 13.150 13.749 1.00 2.94 H new ATOM 0 HH12 ARG A 10 2.771 13.385 15.443 1.00 2.94 H new ATOM 0 HH21 ARG A 10 -0.477 13.017 16.659 1.00 3.46 H new ATOM 0 HH22 ARG A 10 1.220 13.311 17.051 1.00 3.46 H new ATOM 176 N ARG A 11 -4.234 15.581 12.520 1.00 0.63 N ATOM 177 CA ARG A 11 -5.413 15.601 13.400 1.00 0.65 C ATOM 178 C ARG A 11 -6.726 15.629 12.601 1.00 0.60 C ATOM 179 O ARG A 11 -7.659 14.892 12.926 1.00 0.60 O ATOM 180 CB ARG A 11 -5.303 16.808 14.350 1.00 0.78 C ATOM 181 CG ARG A 11 -6.446 16.871 15.370 1.00 1.08 C ATOM 182 CD ARG A 11 -6.288 18.063 16.319 1.00 1.83 C ATOM 183 NE ARG A 11 -7.440 18.159 17.238 1.00 2.12 N ATOM 184 CZ ARG A 11 -7.448 17.979 18.555 1.00 3.20 C ATOM 185 NH1 ARG A 11 -6.357 17.686 19.236 1.00 4.43 N ATOM 186 NH2 ARG A 11 -8.578 18.097 19.217 1.00 3.48 N ATOM 0 H ARG A 11 -3.655 16.415 12.620 1.00 0.63 H new ATOM 0 HA ARG A 11 -5.435 14.681 13.984 1.00 0.65 H new ATOM 0 HB2 ARG A 11 -4.352 16.761 14.880 1.00 0.78 H new ATOM 0 HB3 ARG A 11 -5.296 17.726 13.763 1.00 0.78 H new ATOM 0 HG2 ARG A 11 -7.399 16.946 14.846 1.00 1.08 H new ATOM 0 HG3 ARG A 11 -6.471 15.946 15.947 1.00 1.08 H new ATOM 0 HD2 ARG A 11 -5.367 17.957 16.893 1.00 1.83 H new ATOM 0 HD3 ARG A 11 -6.200 18.984 15.742 1.00 1.83 H new ATOM 0 HE ARG A 11 -8.337 18.391 16.811 1.00 2.12 H new ATOM 0 HH11 ARG A 11 -5.464 17.590 18.752 1.00 4.43 H new ATOM 0 HH12 ARG A 11 -6.406 17.556 20.246 1.00 4.43 H new ATOM 0 HH21 ARG A 11 -9.439 18.325 18.720 1.00 3.48 H new ATOM 0 HH22 ARG A 11 -8.594 17.961 20.228 1.00 3.48 H new ATOM 200 N THR A 12 -6.774 16.424 11.524 1.00 0.61 N ATOM 201 CA THR A 12 -7.913 16.496 10.593 1.00 0.62 C ATOM 202 C THR A 12 -8.101 15.166 9.881 1.00 0.56 C ATOM 203 O THR A 12 -9.222 14.670 9.829 1.00 0.58 O ATOM 204 CB THR A 12 -7.715 17.656 9.608 1.00 0.71 C ATOM 205 OG1 THR A 12 -7.799 18.854 10.349 1.00 0.82 O ATOM 206 CG2 THR A 12 -8.792 17.710 8.522 1.00 0.74 C ATOM 0 H THR A 12 -6.009 17.048 11.269 1.00 0.61 H new ATOM 0 HA THR A 12 -8.827 16.693 11.154 1.00 0.62 H new ATOM 0 HB THR A 12 -6.753 17.518 9.115 1.00 0.71 H new ATOM 0 HG1 THR A 12 -7.675 19.619 9.749 1.00 0.82 H new ATOM 0 HG21 THR A 12 -8.597 18.551 7.857 1.00 0.74 H new ATOM 0 HG22 THR A 12 -8.777 16.783 7.948 1.00 0.74 H new ATOM 0 HG23 THR A 12 -9.771 17.834 8.986 1.00 0.74 H new ATOM 214 N MET A 13 -7.026 14.541 9.392 1.00 0.51 N ATOM 215 CA MET A 13 -7.128 13.241 8.715 1.00 0.50 C ATOM 216 C MET A 13 -7.542 12.124 9.679 1.00 0.45 C ATOM 217 O MET A 13 -8.378 11.307 9.312 1.00 0.45 O ATOM 218 CB MET A 13 -5.820 12.903 7.972 1.00 0.56 C ATOM 219 CG MET A 13 -6.069 12.630 6.480 1.00 0.94 C ATOM 220 SD MET A 13 -6.938 13.927 5.543 1.00 1.42 S ATOM 221 CE MET A 13 -5.894 15.358 5.909 1.00 1.23 C ATOM 0 H MET A 13 -6.077 14.911 9.451 1.00 0.51 H new ATOM 0 HA MET A 13 -7.921 13.319 7.971 1.00 0.50 H new ATOM 0 HB2 MET A 13 -5.117 13.729 8.079 1.00 0.56 H new ATOM 0 HB3 MET A 13 -5.357 12.029 8.430 1.00 0.56 H new ATOM 0 HG2 MET A 13 -5.106 12.453 6.002 1.00 0.94 H new ATOM 0 HG3 MET A 13 -6.642 11.707 6.394 1.00 0.94 H new ATOM 0 HE1 MET A 13 -5.795 15.974 5.015 1.00 1.23 H new ATOM 0 HE2 MET A 13 -6.349 15.945 6.707 1.00 1.23 H new ATOM 0 HE3 MET A 13 -4.908 15.018 6.226 1.00 1.23 H new ATOM 231 N LEU A 14 -7.061 12.134 10.929 1.00 0.47 N ATOM 232 CA LEU A 14 -7.504 11.228 12.002 1.00 0.53 C ATOM 233 C LEU A 14 -9.022 11.352 12.205 1.00 0.54 C ATOM 234 O LEU A 14 -9.721 10.340 12.238 1.00 0.59 O ATOM 235 CB LEU A 14 -6.734 11.565 13.314 1.00 0.65 C ATOM 236 CG LEU A 14 -5.567 10.647 13.746 1.00 0.90 C ATOM 237 CD1 LEU A 14 -6.094 9.317 14.297 1.00 2.21 C ATOM 238 CD2 LEU A 14 -4.548 10.386 12.631 1.00 2.57 C ATOM 0 H LEU A 14 -6.337 12.786 11.231 1.00 0.47 H new ATOM 0 HA LEU A 14 -7.286 10.197 11.724 1.00 0.53 H new ATOM 0 HB2 LEU A 14 -6.340 12.577 13.216 1.00 0.65 H new ATOM 0 HB3 LEU A 14 -7.459 11.583 14.128 1.00 0.65 H new ATOM 0 HG LEU A 14 -5.040 11.187 14.533 1.00 0.90 H new ATOM 0 HD11 LEU A 14 -5.255 8.688 14.594 1.00 2.21 H new ATOM 0 HD12 LEU A 14 -6.729 9.508 15.162 1.00 2.21 H new ATOM 0 HD13 LEU A 14 -6.674 8.808 13.527 1.00 2.21 H new ATOM 0 HD21 LEU A 14 -3.758 9.735 13.005 1.00 2.57 H new ATOM 0 HD22 LEU A 14 -5.046 9.906 11.789 1.00 2.57 H new ATOM 0 HD23 LEU A 14 -4.115 11.332 12.305 1.00 2.57 H new ATOM 250 N LEU A 15 -9.549 12.580 12.263 1.00 0.52 N ATOM 251 CA LEU A 15 -10.979 12.856 12.431 1.00 0.54 C ATOM 252 C LEU A 15 -11.780 12.367 11.209 1.00 0.56 C ATOM 253 O LEU A 15 -12.783 11.672 11.374 1.00 0.61 O ATOM 254 CB LEU A 15 -11.118 14.366 12.740 1.00 0.57 C ATOM 255 CG LEU A 15 -12.410 14.857 13.423 1.00 0.65 C ATOM 256 CD1 LEU A 15 -13.649 14.708 12.538 1.00 0.73 C ATOM 257 CD2 LEU A 15 -12.654 14.170 14.775 1.00 0.75 C ATOM 0 H LEU A 15 -8.982 13.425 12.193 1.00 0.52 H new ATOM 0 HA LEU A 15 -11.410 12.302 13.265 1.00 0.54 H new ATOM 0 HB2 LEU A 15 -10.278 14.655 13.372 1.00 0.57 H new ATOM 0 HB3 LEU A 15 -11.012 14.909 11.801 1.00 0.57 H new ATOM 0 HG LEU A 15 -12.249 15.921 13.597 1.00 0.65 H new ATOM 0 HD11 LEU A 15 -14.525 15.071 13.075 1.00 0.73 H new ATOM 0 HD12 LEU A 15 -13.516 15.289 11.625 1.00 0.73 H new ATOM 0 HD13 LEU A 15 -13.789 13.658 12.282 1.00 0.73 H new ATOM 0 HD21 LEU A 15 -13.576 14.550 15.215 1.00 0.75 H new ATOM 0 HD22 LEU A 15 -12.740 13.094 14.626 1.00 0.75 H new ATOM 0 HD23 LEU A 15 -11.819 14.378 15.445 1.00 0.75 H new ATOM 269 N ARG A 16 -11.295 12.624 9.986 1.00 0.57 N ATOM 270 CA ARG A 16 -11.910 12.111 8.749 1.00 0.64 C ATOM 271 C ARG A 16 -11.924 10.576 8.698 1.00 0.66 C ATOM 272 O ARG A 16 -12.947 9.969 8.382 1.00 0.72 O ATOM 273 CB ARG A 16 -11.180 12.649 7.514 1.00 0.68 C ATOM 274 CG ARG A 16 -11.460 14.137 7.258 1.00 0.76 C ATOM 275 CD ARG A 16 -10.893 14.539 5.895 1.00 0.89 C ATOM 276 NE ARG A 16 -11.677 13.942 4.801 1.00 1.31 N ATOM 277 CZ ARG A 16 -12.816 14.390 4.285 1.00 2.07 C ATOM 278 NH1 ARG A 16 -13.356 15.532 4.662 1.00 3.05 N ATOM 279 NH2 ARG A 16 -13.437 13.671 3.380 1.00 2.77 N ATOM 0 H ARG A 16 -10.465 13.194 9.824 1.00 0.57 H new ATOM 0 HA ARG A 16 -12.942 12.461 8.749 1.00 0.64 H new ATOM 0 HB2 ARG A 16 -10.107 12.502 7.639 1.00 0.68 H new ATOM 0 HB3 ARG A 16 -11.481 12.072 6.640 1.00 0.68 H new ATOM 0 HG2 ARG A 16 -12.533 14.326 7.287 1.00 0.76 H new ATOM 0 HG3 ARG A 16 -11.009 14.743 8.044 1.00 0.76 H new ATOM 0 HD2 ARG A 16 -10.899 15.625 5.801 1.00 0.89 H new ATOM 0 HD3 ARG A 16 -9.854 14.218 5.820 1.00 0.89 H new ATOM 0 HE ARG A 16 -11.302 13.086 4.392 1.00 1.31 H new ATOM 0 HH11 ARG A 16 -12.898 16.103 5.372 1.00 3.05 H new ATOM 0 HH12 ARG A 16 -14.232 15.845 4.244 1.00 3.05 H new ATOM 0 HH21 ARG A 16 -13.044 12.779 3.080 1.00 2.77 H new ATOM 0 HH22 ARG A 16 -14.312 14.004 2.976 1.00 2.77 H new ATOM 293 N PHE A 17 -10.815 9.925 9.051 1.00 0.63 N ATOM 294 CA PHE A 17 -10.708 8.467 9.089 1.00 0.69 C ATOM 295 C PHE A 17 -11.629 7.848 10.160 1.00 0.73 C ATOM 296 O PHE A 17 -12.223 6.796 9.931 1.00 0.82 O ATOM 297 CB PHE A 17 -9.251 8.053 9.294 1.00 0.67 C ATOM 298 CG PHE A 17 -8.341 8.042 8.066 1.00 0.60 C ATOM 299 CD1 PHE A 17 -8.629 7.166 6.999 1.00 1.81 C ATOM 300 CD2 PHE A 17 -7.134 8.775 8.041 1.00 1.54 C ATOM 301 CE1 PHE A 17 -7.728 7.024 5.925 1.00 1.85 C ATOM 302 CE2 PHE A 17 -6.230 8.635 6.973 1.00 1.52 C ATOM 303 CZ PHE A 17 -6.526 7.755 5.916 1.00 0.64 C ATOM 0 H PHE A 17 -9.955 10.402 9.322 1.00 0.63 H new ATOM 0 HA PHE A 17 -11.047 8.078 8.129 1.00 0.69 H new ATOM 0 HB2 PHE A 17 -8.811 8.724 10.032 1.00 0.67 H new ATOM 0 HB3 PHE A 17 -9.243 7.053 9.727 1.00 0.67 H new ATOM 0 HD1 PHE A 17 -9.548 6.599 7.005 1.00 1.81 H new ATOM 0 HD2 PHE A 17 -6.903 9.451 8.851 1.00 1.54 H new ATOM 0 HE1 PHE A 17 -7.960 6.355 5.110 1.00 1.85 H new ATOM 0 HE2 PHE A 17 -5.311 9.202 6.964 1.00 1.52 H new ATOM 0 HZ PHE A 17 -5.831 7.641 5.098 1.00 0.64 H new ATOM 313 N GLN A 18 -11.829 8.523 11.295 1.00 0.70 N ATOM 314 CA GLN A 18 -12.805 8.145 12.328 1.00 0.74 C ATOM 315 C GLN A 18 -14.274 8.256 11.864 1.00 0.76 C ATOM 316 O GLN A 18 -15.164 7.694 12.507 1.00 0.92 O ATOM 317 CB GLN A 18 -12.530 8.945 13.611 1.00 0.75 C ATOM 318 CG GLN A 18 -13.039 8.224 14.878 1.00 1.02 C ATOM 319 CD GLN A 18 -11.942 8.074 15.936 1.00 2.03 C ATOM 320 OE1 GLN A 18 -11.955 8.702 16.989 1.00 2.56 O ATOM 321 NE2 GLN A 18 -10.939 7.252 15.686 1.00 3.46 N ATOM 0 H GLN A 18 -11.306 9.367 11.529 1.00 0.70 H new ATOM 0 HA GLN A 18 -12.670 7.084 12.538 1.00 0.74 H new ATOM 0 HB2 GLN A 18 -11.458 9.121 13.703 1.00 0.75 H new ATOM 0 HB3 GLN A 18 -13.008 9.922 13.536 1.00 0.75 H new ATOM 0 HG2 GLN A 18 -13.875 8.781 15.300 1.00 1.02 H new ATOM 0 HG3 GLN A 18 -13.417 7.238 14.606 1.00 1.02 H new ATOM 0 HE21 GLN A 18 -10.917 6.724 14.813 1.00 3.46 H new ATOM 0 HE22 GLN A 18 -10.186 7.145 16.366 1.00 3.46 H new ATOM 330 N ARG A 19 -14.545 8.960 10.753 1.00 0.72 N ATOM 331 CA ARG A 19 -15.868 9.028 10.114 1.00 0.81 C ATOM 332 C ARG A 19 -16.114 7.889 9.109 1.00 0.84 C ATOM 333 O ARG A 19 -17.254 7.707 8.679 1.00 1.00 O ATOM 334 CB ARG A 19 -16.072 10.411 9.452 1.00 0.93 C ATOM 335 CG ARG A 19 -16.893 11.357 10.339 1.00 1.03 C ATOM 336 CD ARG A 19 -16.099 11.862 11.551 1.00 0.97 C ATOM 337 NE ARG A 19 -16.980 12.568 12.498 1.00 1.42 N ATOM 338 CZ ARG A 19 -17.736 12.005 13.436 1.00 2.12 C ATOM 339 NH1 ARG A 19 -17.749 10.703 13.642 1.00 2.88 N ATOM 340 NH2 ARG A 19 -18.510 12.758 14.188 1.00 2.70 N ATOM 0 H ARG A 19 -13.837 9.508 10.265 1.00 0.72 H new ATOM 0 HA ARG A 19 -16.609 8.897 10.902 1.00 0.81 H new ATOM 0 HB2 ARG A 19 -15.101 10.860 9.244 1.00 0.93 H new ATOM 0 HB3 ARG A 19 -16.576 10.284 8.494 1.00 0.93 H new ATOM 0 HG2 ARG A 19 -17.226 12.209 9.746 1.00 1.03 H new ATOM 0 HG3 ARG A 19 -17.788 10.840 10.685 1.00 1.03 H new ATOM 0 HD2 ARG A 19 -15.618 11.022 12.052 1.00 0.97 H new ATOM 0 HD3 ARG A 19 -15.305 12.531 11.218 1.00 0.97 H new ATOM 0 HE ARG A 19 -17.013 13.585 12.427 1.00 1.42 H new ATOM 0 HH11 ARG A 19 -17.166 10.091 13.072 1.00 2.88 H new ATOM 0 HH12 ARG A 19 -18.342 10.308 14.371 1.00 2.88 H new ATOM 0 HH21 ARG A 19 -18.528 13.768 14.050 1.00 2.70 H new ATOM 0 HH22 ARG A 19 -19.092 12.331 14.909 1.00 2.70 H new ATOM 354 N MET A 20 -15.097 7.098 8.735 1.00 0.80 N ATOM 355 CA MET A 20 -15.264 5.953 7.825 1.00 0.95 C ATOM 356 C MET A 20 -16.095 4.841 8.478 1.00 1.26 C ATOM 357 O MET A 20 -15.615 4.124 9.358 1.00 2.39 O ATOM 358 CB MET A 20 -13.916 5.390 7.347 1.00 0.81 C ATOM 359 CG MET A 20 -12.988 6.441 6.738 1.00 0.73 C ATOM 360 SD MET A 20 -13.656 7.511 5.451 1.00 1.00 S ATOM 361 CE MET A 20 -12.175 8.518 5.256 1.00 0.81 C ATOM 0 H MET A 20 -14.137 7.233 9.054 1.00 0.80 H new ATOM 0 HA MET A 20 -15.799 6.326 6.952 1.00 0.95 H new ATOM 0 HB2 MET A 20 -13.411 4.918 8.190 1.00 0.81 H new ATOM 0 HB3 MET A 20 -14.100 4.610 6.608 1.00 0.81 H new ATOM 0 HG2 MET A 20 -12.626 7.076 7.546 1.00 0.73 H new ATOM 0 HG3 MET A 20 -12.121 5.924 6.326 1.00 0.73 H new ATOM 0 HE1 MET A 20 -12.354 9.286 4.503 1.00 0.81 H new ATOM 0 HE2 MET A 20 -11.929 8.992 6.206 1.00 0.81 H new ATOM 0 HE3 MET A 20 -11.345 7.886 4.940 1.00 0.81 H new ATOM 371 N GLU A 21 -17.339 4.683 8.025 1.00 0.92 N ATOM 372 CA GLU A 21 -18.257 3.638 8.496 1.00 1.05 C ATOM 373 C GLU A 21 -18.131 2.316 7.713 1.00 0.99 C ATOM 374 O GLU A 21 -18.733 1.316 8.116 1.00 1.04 O ATOM 375 CB GLU A 21 -19.702 4.166 8.454 1.00 1.29 C ATOM 376 CG GLU A 21 -19.969 5.172 9.590 1.00 1.90 C ATOM 377 CD GLU A 21 -21.404 5.733 9.607 1.00 2.22 C ATOM 378 OE1 GLU A 21 -22.298 5.224 8.887 1.00 2.88 O ATOM 379 OE2 GLU A 21 -21.657 6.696 10.370 1.00 2.85 O ATOM 0 H GLU A 21 -17.746 5.285 7.310 1.00 0.92 H new ATOM 0 HA GLU A 21 -17.979 3.401 9.523 1.00 1.05 H new ATOM 0 HB2 GLU A 21 -19.888 4.644 7.492 1.00 1.29 H new ATOM 0 HB3 GLU A 21 -20.398 3.331 8.535 1.00 1.29 H new ATOM 0 HG2 GLU A 21 -19.768 4.687 10.545 1.00 1.90 H new ATOM 0 HG3 GLU A 21 -19.267 6.001 9.500 1.00 1.90 H new ATOM 386 N THR A 22 -17.352 2.286 6.617 1.00 0.92 N ATOM 387 CA THR A 22 -17.121 1.092 5.781 1.00 0.93 C ATOM 388 C THR A 22 -15.638 0.898 5.491 1.00 0.89 C ATOM 389 O THR A 22 -14.876 1.864 5.384 1.00 0.84 O ATOM 390 CB THR A 22 -17.934 1.127 4.473 1.00 0.97 C ATOM 391 OG1 THR A 22 -17.332 1.980 3.529 1.00 0.98 O ATOM 392 CG2 THR A 22 -19.369 1.604 4.684 1.00 1.00 C ATOM 0 H THR A 22 -16.854 3.110 6.279 1.00 0.92 H new ATOM 0 HA THR A 22 -17.473 0.235 6.356 1.00 0.93 H new ATOM 0 HB THR A 22 -17.952 0.099 4.110 1.00 0.97 H new ATOM 0 HG1 THR A 22 -17.865 1.985 2.706 1.00 0.98 H new ATOM 0 HG21 THR A 22 -19.895 1.609 3.729 1.00 1.00 H new ATOM 0 HG22 THR A 22 -19.878 0.932 5.375 1.00 1.00 H new ATOM 0 HG23 THR A 22 -19.360 2.612 5.098 1.00 1.00 H new ATOM 400 N ALA A 23 -15.232 -0.363 5.315 1.00 0.92 N ATOM 401 CA ALA A 23 -13.873 -0.725 4.897 1.00 0.89 C ATOM 402 C ALA A 23 -13.531 -0.106 3.533 1.00 0.84 C ATOM 403 O ALA A 23 -12.379 0.248 3.275 1.00 0.82 O ATOM 404 CB ALA A 23 -13.771 -2.257 4.855 1.00 0.98 C ATOM 0 H ALA A 23 -15.842 -1.168 5.460 1.00 0.92 H new ATOM 0 HA ALA A 23 -13.150 -0.331 5.612 1.00 0.89 H new ATOM 0 HB1 ALA A 23 -12.767 -2.546 4.546 1.00 0.98 H new ATOM 0 HB2 ALA A 23 -13.977 -2.663 5.846 1.00 0.98 H new ATOM 0 HB3 ALA A 23 -14.497 -2.651 4.144 1.00 0.98 H new ATOM 410 N GLU A 24 -14.552 0.071 2.689 1.00 0.84 N ATOM 411 CA GLU A 24 -14.441 0.709 1.386 1.00 0.84 C ATOM 412 C GLU A 24 -14.011 2.163 1.548 1.00 0.78 C ATOM 413 O GLU A 24 -13.060 2.586 0.905 1.00 0.78 O ATOM 414 CB GLU A 24 -15.743 0.628 0.568 1.00 0.94 C ATOM 415 CG GLU A 24 -16.488 -0.713 0.619 1.00 1.10 C ATOM 416 CD GLU A 24 -15.644 -1.912 0.157 1.00 2.38 C ATOM 417 OE1 GLU A 24 -15.487 -2.103 -1.072 1.00 3.25 O ATOM 418 OE2 GLU A 24 -15.172 -2.695 1.015 1.00 3.87 O ATOM 0 H GLU A 24 -15.501 -0.236 2.904 1.00 0.84 H new ATOM 0 HA GLU A 24 -13.682 0.161 0.828 1.00 0.84 H new ATOM 0 HB2 GLU A 24 -16.418 1.409 0.918 1.00 0.94 H new ATOM 0 HB3 GLU A 24 -15.509 0.852 -0.473 1.00 0.94 H new ATOM 0 HG2 GLU A 24 -16.826 -0.891 1.640 1.00 1.10 H new ATOM 0 HG3 GLU A 24 -17.379 -0.646 -0.005 1.00 1.10 H new ATOM 425 N GLU A 25 -14.658 2.913 2.445 1.00 0.76 N ATOM 426 CA GLU A 25 -14.379 4.332 2.661 1.00 0.74 C ATOM 427 C GLU A 25 -12.939 4.591 3.140 1.00 0.65 C ATOM 428 O GLU A 25 -12.316 5.563 2.703 1.00 0.62 O ATOM 429 CB GLU A 25 -15.431 4.927 3.615 1.00 0.89 C ATOM 430 CG GLU A 25 -16.230 6.059 2.953 1.00 1.20 C ATOM 431 CD GLU A 25 -16.975 5.596 1.689 1.00 2.63 C ATOM 432 OE1 GLU A 25 -17.961 4.830 1.799 1.00 3.64 O ATOM 433 OE2 GLU A 25 -16.580 6.021 0.576 1.00 3.66 O ATOM 0 H GLU A 25 -15.396 2.547 3.046 1.00 0.76 H new ATOM 0 HA GLU A 25 -14.454 4.842 1.701 1.00 0.74 H new ATOM 0 HB2 GLU A 25 -16.114 4.141 3.938 1.00 0.89 H new ATOM 0 HB3 GLU A 25 -14.937 5.307 4.509 1.00 0.89 H new ATOM 0 HG2 GLU A 25 -16.949 6.458 3.669 1.00 1.20 H new ATOM 0 HG3 GLU A 25 -15.553 6.873 2.694 1.00 1.20 H new ATOM 440 N VAL A 26 -12.382 3.697 3.966 1.00 0.63 N ATOM 441 CA VAL A 26 -10.971 3.782 4.412 1.00 0.57 C ATOM 442 C VAL A 26 -10.000 3.667 3.226 1.00 0.56 C ATOM 443 O VAL A 26 -9.084 4.482 3.109 1.00 0.53 O ATOM 444 CB VAL A 26 -10.629 2.706 5.476 1.00 0.60 C ATOM 445 CG1 VAL A 26 -9.151 2.758 5.907 1.00 0.56 C ATOM 446 CG2 VAL A 26 -11.495 2.850 6.738 1.00 0.65 C ATOM 0 H VAL A 26 -12.886 2.896 4.346 1.00 0.63 H new ATOM 0 HA VAL A 26 -10.852 4.763 4.871 1.00 0.57 H new ATOM 0 HB VAL A 26 -10.834 1.750 4.993 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -8.962 1.986 6.653 1.00 0.56 H new ATOM 0 HG12 VAL A 26 -8.513 2.589 5.040 1.00 0.56 H new ATOM 0 HG13 VAL A 26 -8.931 3.736 6.334 1.00 0.56 H new ATOM 0 HG21 VAL A 26 -11.222 2.077 7.456 1.00 0.65 H new ATOM 0 HG22 VAL A 26 -11.331 3.832 7.182 1.00 0.65 H new ATOM 0 HG23 VAL A 26 -12.547 2.743 6.472 1.00 0.65 H new ATOM 456 N TYR A 27 -10.196 2.686 2.334 1.00 0.63 N ATOM 457 CA TYR A 27 -9.324 2.499 1.164 1.00 0.66 C ATOM 458 C TYR A 27 -9.637 3.534 0.061 1.00 0.66 C ATOM 459 O TYR A 27 -8.758 3.973 -0.674 1.00 0.66 O ATOM 460 CB TYR A 27 -9.324 1.027 0.690 1.00 0.77 C ATOM 461 CG TYR A 27 -10.280 0.652 -0.426 1.00 0.87 C ATOM 462 CD1 TYR A 27 -10.063 1.130 -1.733 1.00 1.99 C ATOM 463 CD2 TYR A 27 -11.371 -0.195 -0.166 1.00 2.55 C ATOM 464 CE1 TYR A 27 -11.001 0.859 -2.748 1.00 1.92 C ATOM 465 CE2 TYR A 27 -12.293 -0.499 -1.186 1.00 2.72 C ATOM 466 CZ TYR A 27 -12.127 0.050 -2.476 1.00 1.17 C ATOM 467 OH TYR A 27 -13.043 -0.197 -3.454 1.00 1.34 O ATOM 0 H TYR A 27 -10.954 2.007 2.400 1.00 0.63 H new ATOM 0 HA TYR A 27 -8.293 2.699 1.456 1.00 0.66 H new ATOM 0 HB2 TYR A 27 -8.314 0.778 0.366 1.00 0.77 H new ATOM 0 HB3 TYR A 27 -9.547 0.396 1.551 1.00 0.77 H new ATOM 0 HD1 TYR A 27 -9.177 1.705 -1.957 1.00 1.99 H new ATOM 0 HD2 TYR A 27 -11.503 -0.615 0.820 1.00 2.55 H new ATOM 0 HE1 TYR A 27 -10.859 1.270 -3.736 1.00 1.92 H new ATOM 0 HE2 TYR A 27 -13.128 -1.153 -0.981 1.00 2.72 H new ATOM 0 HH TYR A 27 -13.753 -0.772 -3.099 1.00 1.34 H new ATOM 477 N HIS A 28 -10.892 3.958 -0.049 1.00 0.68 N ATOM 478 CA HIS A 28 -11.358 4.984 -0.974 1.00 0.71 C ATOM 479 C HIS A 28 -10.709 6.349 -0.695 1.00 0.64 C ATOM 480 O HIS A 28 -10.185 6.941 -1.635 1.00 0.66 O ATOM 481 CB HIS A 28 -12.891 5.032 -0.915 1.00 0.79 C ATOM 482 CG HIS A 28 -13.559 6.094 -1.749 1.00 0.90 C ATOM 483 ND1 HIS A 28 -14.722 6.751 -1.416 1.00 1.08 N ATOM 484 CD2 HIS A 28 -13.169 6.566 -2.975 1.00 0.99 C ATOM 485 CE1 HIS A 28 -15.007 7.616 -2.400 1.00 1.14 C ATOM 486 NE2 HIS A 28 -14.094 7.535 -3.385 1.00 1.13 N ATOM 0 H HIS A 28 -11.643 3.580 0.528 1.00 0.68 H new ATOM 0 HA HIS A 28 -11.053 4.728 -1.989 1.00 0.71 H new ATOM 0 HB2 HIS A 28 -13.276 4.061 -1.226 1.00 0.79 H new ATOM 0 HB3 HIS A 28 -13.189 5.175 0.124 1.00 0.79 H new ATOM 0 HD1 HIS A 28 -15.271 6.605 -0.569 1.00 1.08 H new ATOM 0 HD2 HIS A 28 -12.299 6.246 -3.529 1.00 0.99 H new ATOM 0 HE1 HIS A 28 -15.854 8.286 -2.402 1.00 1.14 H new ATOM 494 N GLU A 29 -10.677 6.857 0.548 1.00 0.58 N ATOM 495 CA GLU A 29 -10.059 8.178 0.776 1.00 0.56 C ATOM 496 C GLU A 29 -8.554 8.207 0.444 1.00 0.53 C ATOM 497 O GLU A 29 -8.038 9.205 -0.065 1.00 0.56 O ATOM 498 CB GLU A 29 -10.339 8.731 2.183 1.00 0.65 C ATOM 499 CG GLU A 29 -10.085 10.255 2.172 1.00 1.15 C ATOM 500 CD GLU A 29 -10.931 11.029 3.185 1.00 1.63 C ATOM 501 OE1 GLU A 29 -12.128 11.273 2.908 1.00 2.80 O ATOM 502 OE2 GLU A 29 -10.400 11.468 4.228 1.00 2.36 O ATOM 0 H GLU A 29 -11.053 6.399 1.378 1.00 0.58 H new ATOM 0 HA GLU A 29 -10.547 8.848 0.068 1.00 0.56 H new ATOM 0 HB2 GLU A 29 -11.368 8.521 2.474 1.00 0.65 H new ATOM 0 HB3 GLU A 29 -9.695 8.245 2.916 1.00 0.65 H new ATOM 0 HG2 GLU A 29 -9.030 10.440 2.377 1.00 1.15 H new ATOM 0 HG3 GLU A 29 -10.288 10.641 1.173 1.00 1.15 H new ATOM 509 N ILE A 30 -7.839 7.100 0.672 1.00 0.51 N ATOM 510 CA ILE A 30 -6.426 6.983 0.256 1.00 0.54 C ATOM 511 C ILE A 30 -6.267 6.821 -1.265 1.00 0.61 C ATOM 512 O ILE A 30 -5.279 7.302 -1.818 1.00 0.63 O ATOM 513 CB ILE A 30 -5.660 5.927 1.082 1.00 0.55 C ATOM 514 CG1 ILE A 30 -6.169 4.504 0.822 1.00 0.60 C ATOM 515 CG2 ILE A 30 -5.767 6.286 2.575 1.00 0.54 C ATOM 516 CD1 ILE A 30 -5.463 3.403 1.607 1.00 0.65 C ATOM 0 H ILE A 30 -8.208 6.272 1.140 1.00 0.51 H new ATOM 0 HA ILE A 30 -5.948 7.935 0.487 1.00 0.54 H new ATOM 0 HB ILE A 30 -4.615 5.940 0.773 1.00 0.55 H new ATOM 0 HG12 ILE A 30 -7.233 4.469 1.056 1.00 0.60 H new ATOM 0 HG13 ILE A 30 -6.069 4.289 -0.242 1.00 0.60 H new ATOM 0 HG21 ILE A 30 -5.229 5.546 3.167 1.00 0.54 H new ATOM 0 HG22 ILE A 30 -5.333 7.271 2.744 1.00 0.54 H new ATOM 0 HG23 ILE A 30 -6.816 6.296 2.873 1.00 0.54 H new ATOM 0 HD11 ILE A 30 -5.898 2.437 1.350 1.00 0.65 H new ATOM 0 HD12 ILE A 30 -4.402 3.401 1.357 1.00 0.65 H new ATOM 0 HD13 ILE A 30 -5.584 3.583 2.675 1.00 0.65 H new ATOM 528 N GLU A 31 -7.239 6.220 -1.961 1.00 0.67 N ATOM 529 CA GLU A 31 -7.264 6.184 -3.428 1.00 0.76 C ATOM 530 C GLU A 31 -7.515 7.587 -4.006 1.00 0.71 C ATOM 531 O GLU A 31 -6.792 8.020 -4.904 1.00 0.70 O ATOM 532 CB GLU A 31 -8.222 5.088 -3.942 1.00 0.88 C ATOM 533 CG GLU A 31 -9.565 5.475 -4.590 1.00 1.65 C ATOM 534 CD GLU A 31 -9.493 5.919 -6.064 1.00 2.26 C ATOM 535 OE1 GLU A 31 -8.513 5.606 -6.777 1.00 2.57 O ATOM 536 OE2 GLU A 31 -10.463 6.551 -6.541 1.00 3.26 O ATOM 0 H GLU A 31 -8.029 5.746 -1.524 1.00 0.67 H new ATOM 0 HA GLU A 31 -6.282 5.893 -3.801 1.00 0.76 H new ATOM 0 HB2 GLU A 31 -7.671 4.493 -4.670 1.00 0.88 H new ATOM 0 HB3 GLU A 31 -8.446 4.434 -3.100 1.00 0.88 H new ATOM 0 HG2 GLU A 31 -10.240 4.622 -4.519 1.00 1.65 H new ATOM 0 HG3 GLU A 31 -10.009 6.283 -4.008 1.00 1.65 H new ATOM 543 N LEU A 32 -8.444 8.357 -3.423 1.00 0.70 N ATOM 544 CA LEU A 32 -8.670 9.765 -3.763 1.00 0.72 C ATOM 545 C LEU A 32 -7.392 10.605 -3.582 1.00 0.67 C ATOM 546 O LEU A 32 -7.097 11.460 -4.418 1.00 0.73 O ATOM 547 CB LEU A 32 -9.826 10.328 -2.906 1.00 0.75 C ATOM 548 CG LEU A 32 -11.253 9.841 -3.243 1.00 0.87 C ATOM 549 CD1 LEU A 32 -12.246 10.553 -2.310 1.00 0.92 C ATOM 550 CD2 LEU A 32 -11.631 10.119 -4.706 1.00 0.94 C ATOM 0 H LEU A 32 -9.067 8.013 -2.692 1.00 0.70 H new ATOM 0 HA LEU A 32 -8.945 9.824 -4.816 1.00 0.72 H new ATOM 0 HB2 LEU A 32 -9.623 10.085 -1.863 1.00 0.75 H new ATOM 0 HB3 LEU A 32 -9.811 11.415 -2.989 1.00 0.75 H new ATOM 0 HG LEU A 32 -11.289 8.761 -3.100 1.00 0.87 H new ATOM 0 HD11 LEU A 32 -13.259 10.220 -2.535 1.00 0.92 H new ATOM 0 HD12 LEU A 32 -12.007 10.314 -1.274 1.00 0.92 H new ATOM 0 HD13 LEU A 32 -12.177 11.631 -2.459 1.00 0.92 H new ATOM 0 HD21 LEU A 32 -12.642 9.759 -4.895 1.00 0.94 H new ATOM 0 HD22 LEU A 32 -11.586 11.191 -4.896 1.00 0.94 H new ATOM 0 HD23 LEU A 32 -10.933 9.604 -5.366 1.00 0.94 H new ATOM 562 N GLN A 33 -6.608 10.345 -2.532 1.00 0.62 N ATOM 563 CA GLN A 33 -5.318 11.001 -2.303 1.00 0.64 C ATOM 564 C GLN A 33 -4.268 10.632 -3.367 1.00 0.62 C ATOM 565 O GLN A 33 -3.442 11.479 -3.699 1.00 0.73 O ATOM 566 CB GLN A 33 -4.841 10.693 -0.870 1.00 0.70 C ATOM 567 CG GLN A 33 -3.507 11.341 -0.451 1.00 0.88 C ATOM 568 CD GLN A 33 -3.498 12.872 -0.517 1.00 1.54 C ATOM 569 OE1 GLN A 33 -3.714 13.569 0.465 1.00 2.32 O ATOM 570 NE2 GLN A 33 -3.227 13.449 -1.671 1.00 2.68 N ATOM 0 H GLN A 33 -6.853 9.667 -1.811 1.00 0.62 H new ATOM 0 HA GLN A 33 -5.453 12.078 -2.403 1.00 0.64 H new ATOM 0 HB2 GLN A 33 -5.614 11.016 -0.173 1.00 0.70 H new ATOM 0 HB3 GLN A 33 -4.747 9.612 -0.763 1.00 0.70 H new ATOM 0 HG2 GLN A 33 -3.271 11.032 0.567 1.00 0.88 H new ATOM 0 HG3 GLN A 33 -2.714 10.957 -1.092 1.00 0.88 H new ATOM 0 HE21 GLN A 33 -3.045 12.878 -2.496 1.00 2.68 H new ATOM 0 HE22 GLN A 33 -3.199 14.466 -1.738 1.00 2.68 H new ATOM 579 N ALA A 34 -4.289 9.420 -3.933 1.00 0.55 N ATOM 580 CA ALA A 34 -3.406 9.052 -5.045 1.00 0.54 C ATOM 581 C ALA A 34 -3.837 9.719 -6.364 1.00 0.55 C ATOM 582 O ALA A 34 -3.005 10.229 -7.117 1.00 0.59 O ATOM 583 CB ALA A 34 -3.378 7.526 -5.173 1.00 0.55 C ATOM 0 H ALA A 34 -4.914 8.671 -3.635 1.00 0.55 H new ATOM 0 HA ALA A 34 -2.401 9.416 -4.833 1.00 0.54 H new ATOM 0 HB1 ALA A 34 -2.724 7.242 -5.997 1.00 0.55 H new ATOM 0 HB2 ALA A 34 -3.004 7.090 -4.247 1.00 0.55 H new ATOM 0 HB3 ALA A 34 -4.386 7.159 -5.366 1.00 0.55 H new ATOM 589 N GLN A 35 -5.146 9.732 -6.630 1.00 0.60 N ATOM 590 CA GLN A 35 -5.777 10.321 -7.820 1.00 0.68 C ATOM 591 C GLN A 35 -5.521 11.839 -7.899 1.00 0.71 C ATOM 592 O GLN A 35 -5.301 12.374 -8.990 1.00 0.76 O ATOM 593 CB GLN A 35 -7.283 10.025 -7.764 1.00 0.84 C ATOM 594 CG GLN A 35 -7.634 8.526 -7.866 1.00 0.76 C ATOM 595 CD GLN A 35 -7.901 7.968 -9.266 1.00 1.37 C ATOM 596 OE1 GLN A 35 -7.713 8.604 -10.300 1.00 1.95 O ATOM 597 NE2 GLN A 35 -8.363 6.737 -9.334 1.00 1.88 N ATOM 0 H GLN A 35 -5.827 9.315 -5.996 1.00 0.60 H new ATOM 0 HA GLN A 35 -5.342 9.879 -8.717 1.00 0.68 H new ATOM 0 HB2 GLN A 35 -7.685 10.419 -6.831 1.00 0.84 H new ATOM 0 HB3 GLN A 35 -7.778 10.559 -8.575 1.00 0.84 H new ATOM 0 HG2 GLN A 35 -6.817 7.956 -7.425 1.00 0.76 H new ATOM 0 HG3 GLN A 35 -8.517 8.343 -7.254 1.00 0.76 H new ATOM 0 HE21 GLN A 35 -8.521 6.204 -8.479 1.00 1.88 H new ATOM 0 HE22 GLN A 35 -8.563 6.317 -10.242 1.00 1.88 H new ATOM 606 N GLN A 36 -5.478 12.516 -6.748 1.00 0.72 N ATOM 607 CA GLN A 36 -5.070 13.920 -6.596 1.00 0.86 C ATOM 608 C GLN A 36 -3.668 14.231 -7.155 1.00 0.79 C ATOM 609 O GLN A 36 -3.404 15.391 -7.470 1.00 1.00 O ATOM 610 CB GLN A 36 -5.135 14.304 -5.096 1.00 0.98 C ATOM 611 CG GLN A 36 -6.454 14.998 -4.725 1.00 1.33 C ATOM 612 CD GLN A 36 -6.598 16.446 -5.233 1.00 1.88 C ATOM 613 OE1 GLN A 36 -7.554 17.139 -4.904 1.00 1.85 O ATOM 614 NE2 GLN A 36 -5.691 16.986 -6.030 1.00 2.95 N ATOM 0 H GLN A 36 -5.736 12.086 -5.860 1.00 0.72 H new ATOM 0 HA GLN A 36 -5.766 14.516 -7.187 1.00 0.86 H new ATOM 0 HB2 GLN A 36 -5.017 13.407 -4.489 1.00 0.98 H new ATOM 0 HB3 GLN A 36 -4.301 14.963 -4.856 1.00 0.98 H new ATOM 0 HG2 GLN A 36 -7.281 14.407 -5.120 1.00 1.33 H new ATOM 0 HG3 GLN A 36 -6.553 14.999 -3.639 1.00 1.33 H new ATOM 0 HE21 GLN A 36 -4.882 16.440 -6.325 1.00 2.95 H new ATOM 0 HE22 GLN A 36 -5.801 17.948 -6.349 1.00 2.95 H new ATOM 623 N LEU A 37 -2.770 13.236 -7.230 1.00 0.60 N ATOM 624 CA LEU A 37 -1.372 13.382 -7.658 1.00 0.65 C ATOM 625 C LEU A 37 -1.102 12.865 -9.090 1.00 0.63 C ATOM 626 O LEU A 37 0.038 12.945 -9.551 1.00 0.72 O ATOM 627 CB LEU A 37 -0.464 12.671 -6.628 1.00 0.67 C ATOM 628 CG LEU A 37 -0.688 13.074 -5.153 1.00 0.80 C ATOM 629 CD1 LEU A 37 0.209 12.229 -4.239 1.00 1.25 C ATOM 630 CD2 LEU A 37 -0.438 14.567 -4.893 1.00 1.10 C ATOM 0 H LEU A 37 -3.007 12.275 -6.985 1.00 0.60 H new ATOM 0 HA LEU A 37 -1.146 14.448 -7.695 1.00 0.65 H new ATOM 0 HB2 LEU A 37 -0.614 11.595 -6.719 1.00 0.67 H new ATOM 0 HB3 LEU A 37 0.576 12.871 -6.887 1.00 0.67 H new ATOM 0 HG LEU A 37 -1.738 12.885 -4.930 1.00 0.80 H new ATOM 0 HD11 LEU A 37 0.046 12.518 -3.201 1.00 1.25 H new ATOM 0 HD12 LEU A 37 -0.035 11.174 -4.364 1.00 1.25 H new ATOM 0 HD13 LEU A 37 1.254 12.394 -4.502 1.00 1.25 H new ATOM 0 HD21 LEU A 37 -0.612 14.787 -3.840 1.00 1.10 H new ATOM 0 HD22 LEU A 37 0.592 14.814 -5.150 1.00 1.10 H new ATOM 0 HD23 LEU A 37 -1.117 15.161 -5.505 1.00 1.10 H new ATOM 642 N GLU A 38 -2.119 12.345 -9.798 1.00 0.59 N ATOM 643 CA GLU A 38 -2.031 11.853 -11.188 1.00 0.65 C ATOM 644 C GLU A 38 -1.027 10.677 -11.327 1.00 0.59 C ATOM 645 O GLU A 38 -0.265 10.580 -12.295 1.00 0.72 O ATOM 646 CB GLU A 38 -1.808 13.036 -12.172 1.00 0.84 C ATOM 647 CG GLU A 38 -3.120 13.572 -12.761 1.00 1.42 C ATOM 648 CD GLU A 38 -3.590 12.730 -13.960 1.00 1.99 C ATOM 649 OE1 GLU A 38 -4.173 11.638 -13.761 1.00 3.88 O ATOM 650 OE2 GLU A 38 -3.385 13.165 -15.119 1.00 2.13 O ATOM 0 H GLU A 38 -3.057 12.251 -9.408 1.00 0.59 H new ATOM 0 HA GLU A 38 -2.986 11.413 -11.474 1.00 0.65 H new ATOM 0 HB2 GLU A 38 -1.291 13.843 -11.652 1.00 0.84 H new ATOM 0 HB3 GLU A 38 -1.157 12.711 -12.983 1.00 0.84 H new ATOM 0 HG2 GLU A 38 -3.892 13.572 -11.991 1.00 1.42 H new ATOM 0 HG3 GLU A 38 -2.983 14.607 -13.074 1.00 1.42 H new ATOM 657 N TYR A 39 -1.008 9.784 -10.330 1.00 0.49 N ATOM 658 CA TYR A 39 0.018 8.742 -10.181 1.00 0.52 C ATOM 659 C TYR A 39 -0.083 7.608 -11.233 1.00 0.52 C ATOM 660 O TYR A 39 0.808 7.509 -12.078 1.00 0.55 O ATOM 661 CB TYR A 39 0.052 8.269 -8.708 1.00 0.62 C ATOM 662 CG TYR A 39 1.349 8.619 -7.991 1.00 0.79 C ATOM 663 CD1 TYR A 39 1.885 9.921 -8.090 1.00 1.95 C ATOM 664 CD2 TYR A 39 2.052 7.635 -7.269 1.00 1.93 C ATOM 665 CE1 TYR A 39 3.161 10.210 -7.569 1.00 2.26 C ATOM 666 CE2 TYR A 39 3.329 7.917 -6.741 1.00 2.31 C ATOM 667 CZ TYR A 39 3.903 9.195 -6.928 1.00 1.91 C ATOM 668 OH TYR A 39 5.182 9.436 -6.525 1.00 2.63 O ATOM 0 H TYR A 39 -1.714 9.764 -9.594 1.00 0.49 H new ATOM 0 HA TYR A 39 0.993 9.174 -10.407 1.00 0.52 H new ATOM 0 HB2 TYR A 39 -0.784 8.717 -8.171 1.00 0.62 H new ATOM 0 HB3 TYR A 39 -0.092 7.189 -8.677 1.00 0.62 H new ATOM 0 HD1 TYR A 39 1.312 10.701 -8.569 1.00 1.95 H new ATOM 0 HD2 TYR A 39 1.611 6.660 -7.119 1.00 1.93 H new ATOM 0 HE1 TYR A 39 3.570 11.205 -7.660 1.00 2.26 H new ATOM 0 HE2 TYR A 39 3.868 7.157 -6.194 1.00 2.31 H new ATOM 0 HH TYR A 39 5.281 10.385 -6.302 1.00 2.63 H new ATOM 678 N ASP A 40 -1.160 6.804 -11.204 1.00 0.50 N ATOM 679 CA ASP A 40 -1.477 5.623 -12.048 1.00 0.45 C ATOM 680 C ASP A 40 -2.533 4.749 -11.350 1.00 0.42 C ATOM 681 O ASP A 40 -3.713 4.816 -11.697 1.00 0.50 O ATOM 682 CB ASP A 40 -0.232 4.792 -12.439 1.00 0.48 C ATOM 683 CG ASP A 40 -0.543 3.480 -13.170 1.00 0.72 C ATOM 684 OD1 ASP A 40 -1.258 3.527 -14.198 1.00 1.67 O ATOM 685 OD2 ASP A 40 -0.007 2.433 -12.737 1.00 1.67 O ATOM 0 H ASP A 40 -1.905 6.975 -10.528 1.00 0.50 H new ATOM 0 HA ASP A 40 -1.882 6.002 -12.987 1.00 0.45 H new ATOM 0 HB2 ASP A 40 0.411 5.402 -13.073 1.00 0.48 H new ATOM 0 HB3 ASP A 40 0.334 4.564 -11.536 1.00 0.48 H new ATOM 690 N TYR A 41 -2.120 3.971 -10.339 1.00 0.41 N ATOM 691 CA TYR A 41 -2.975 3.045 -9.583 1.00 0.40 C ATOM 692 C TYR A 41 -2.497 2.864 -8.126 1.00 0.38 C ATOM 693 O TYR A 41 -1.318 3.025 -7.805 1.00 0.41 O ATOM 694 CB TYR A 41 -3.015 1.662 -10.262 1.00 0.41 C ATOM 695 CG TYR A 41 -3.604 1.545 -11.663 1.00 0.49 C ATOM 696 CD1 TYR A 41 -4.933 1.933 -11.921 1.00 1.22 C ATOM 697 CD2 TYR A 41 -2.854 0.931 -12.688 1.00 1.69 C ATOM 698 CE1 TYR A 41 -5.489 1.758 -13.204 1.00 1.19 C ATOM 699 CE2 TYR A 41 -3.397 0.759 -13.974 1.00 1.81 C ATOM 700 CZ TYR A 41 -4.718 1.184 -14.240 1.00 0.74 C ATOM 701 OH TYR A 41 -5.262 1.011 -15.478 1.00 0.87 O ATOM 0 H TYR A 41 -1.153 3.969 -10.015 1.00 0.41 H new ATOM 0 HA TYR A 41 -3.971 3.488 -9.570 1.00 0.40 H new ATOM 0 HB2 TYR A 41 -1.993 1.285 -10.302 1.00 0.41 H new ATOM 0 HB3 TYR A 41 -3.577 0.992 -9.611 1.00 0.41 H new ATOM 0 HD1 TYR A 41 -5.529 2.367 -11.132 1.00 1.22 H new ATOM 0 HD2 TYR A 41 -1.850 0.589 -12.483 1.00 1.69 H new ATOM 0 HE1 TYR A 41 -6.507 2.063 -13.396 1.00 1.19 H new ATOM 0 HE2 TYR A 41 -2.806 0.304 -14.755 1.00 1.81 H new ATOM 0 HH TYR A 41 -4.598 0.605 -16.073 1.00 0.87 H new ATOM 711 N TYR A 42 -3.419 2.475 -7.247 1.00 0.43 N ATOM 712 CA TYR A 42 -3.196 2.143 -5.832 1.00 0.40 C ATOM 713 C TYR A 42 -3.502 0.660 -5.560 1.00 0.34 C ATOM 714 O TYR A 42 -4.275 0.040 -6.290 1.00 0.37 O ATOM 715 CB TYR A 42 -4.139 2.996 -4.963 1.00 0.51 C ATOM 716 CG TYR A 42 -5.591 2.568 -5.105 1.00 1.27 C ATOM 717 CD1 TYR A 42 -6.339 2.998 -6.215 1.00 2.63 C ATOM 718 CD2 TYR A 42 -6.147 1.633 -4.204 1.00 2.11 C ATOM 719 CE1 TYR A 42 -7.634 2.497 -6.429 1.00 3.61 C ATOM 720 CE2 TYR A 42 -7.430 1.098 -4.437 1.00 2.92 C ATOM 721 CZ TYR A 42 -8.175 1.526 -5.559 1.00 3.45 C ATOM 722 OH TYR A 42 -9.402 0.998 -5.818 1.00 4.55 O ATOM 0 H TYR A 42 -4.399 2.376 -7.514 1.00 0.43 H new ATOM 0 HA TYR A 42 -2.152 2.343 -5.592 1.00 0.40 H new ATOM 0 HB2 TYR A 42 -3.839 2.917 -3.918 1.00 0.51 H new ATOM 0 HB3 TYR A 42 -4.041 4.044 -5.244 1.00 0.51 H new ATOM 0 HD1 TYR A 42 -5.917 3.715 -6.904 1.00 2.63 H new ATOM 0 HD2 TYR A 42 -5.587 1.327 -3.333 1.00 2.11 H new ATOM 0 HE1 TYR A 42 -8.218 2.857 -7.263 1.00 3.61 H new ATOM 0 HE2 TYR A 42 -7.842 0.364 -3.761 1.00 2.92 H new ATOM 0 HH TYR A 42 -9.664 0.404 -5.084 1.00 4.55 H new ATOM 732 N SER A 43 -3.012 0.122 -4.448 1.00 0.36 N ATOM 733 CA SER A 43 -3.421 -1.185 -3.930 1.00 0.40 C ATOM 734 C SER A 43 -3.286 -1.275 -2.399 1.00 0.38 C ATOM 735 O SER A 43 -2.385 -0.678 -1.797 1.00 0.36 O ATOM 736 CB SER A 43 -2.632 -2.300 -4.629 1.00 0.54 C ATOM 737 OG SER A 43 -1.241 -2.202 -4.381 1.00 1.32 O ATOM 0 H SER A 43 -2.310 0.585 -3.871 1.00 0.36 H new ATOM 0 HA SER A 43 -4.480 -1.314 -4.152 1.00 0.40 H new ATOM 0 HB2 SER A 43 -2.994 -3.269 -4.286 1.00 0.54 H new ATOM 0 HB3 SER A 43 -2.813 -2.254 -5.703 1.00 0.54 H new ATOM 0 HG SER A 43 -1.010 -1.272 -4.173 1.00 1.32 H new ATOM 743 N LEU A 44 -4.195 -2.029 -1.772 1.00 0.47 N ATOM 744 CA LEU A 44 -4.214 -2.357 -0.344 1.00 0.49 C ATOM 745 C LEU A 44 -4.194 -3.884 -0.186 1.00 0.46 C ATOM 746 O LEU A 44 -4.856 -4.594 -0.945 1.00 0.48 O ATOM 747 CB LEU A 44 -5.498 -1.781 0.293 1.00 0.64 C ATOM 748 CG LEU A 44 -5.470 -1.774 1.841 1.00 0.78 C ATOM 749 CD1 LEU A 44 -5.015 -0.417 2.391 1.00 1.66 C ATOM 750 CD2 LEU A 44 -6.843 -2.111 2.418 1.00 1.30 C ATOM 0 H LEU A 44 -4.978 -2.448 -2.274 1.00 0.47 H new ATOM 0 HA LEU A 44 -3.344 -1.927 0.152 1.00 0.49 H new ATOM 0 HB2 LEU A 44 -5.646 -0.762 -0.064 1.00 0.64 H new ATOM 0 HB3 LEU A 44 -6.355 -2.364 -0.044 1.00 0.64 H new ATOM 0 HG LEU A 44 -4.753 -2.536 2.145 1.00 0.78 H new ATOM 0 HD11 LEU A 44 -5.008 -0.450 3.480 1.00 1.66 H new ATOM 0 HD12 LEU A 44 -4.011 -0.195 2.028 1.00 1.66 H new ATOM 0 HD13 LEU A 44 -5.702 0.360 2.056 1.00 1.66 H new ATOM 0 HD21 LEU A 44 -6.793 -2.099 3.507 1.00 1.30 H new ATOM 0 HD22 LEU A 44 -7.571 -1.373 2.080 1.00 1.30 H new ATOM 0 HD23 LEU A 44 -7.147 -3.102 2.080 1.00 1.30 H new ATOM 762 N CYS A 45 -3.496 -4.381 0.834 1.00 0.46 N ATOM 763 CA CYS A 45 -3.515 -5.779 1.266 1.00 0.43 C ATOM 764 C CYS A 45 -3.933 -5.859 2.744 1.00 0.48 C ATOM 765 O CYS A 45 -3.554 -4.990 3.533 1.00 0.62 O ATOM 766 CB CYS A 45 -2.110 -6.354 1.054 1.00 0.64 C ATOM 767 SG CYS A 45 -2.181 -8.164 1.044 1.00 1.15 S ATOM 0 H CYS A 45 -2.879 -3.801 1.403 1.00 0.46 H new ATOM 0 HA CYS A 45 -4.236 -6.358 0.688 1.00 0.43 H new ATOM 0 HB2 CYS A 45 -1.698 -5.992 0.112 1.00 0.64 H new ATOM 0 HB3 CYS A 45 -1.444 -6.012 1.846 1.00 0.64 H new ATOM 0 HG CYS A 45 -0.987 -8.644 0.862 1.00 1.15 H new ATOM 773 N VAL A 46 -4.681 -6.894 3.124 1.00 0.47 N ATOM 774 CA VAL A 46 -5.162 -7.122 4.501 1.00 0.57 C ATOM 775 C VAL A 46 -5.039 -8.603 4.877 1.00 0.66 C ATOM 776 O VAL A 46 -5.199 -9.472 4.020 1.00 0.64 O ATOM 777 CB VAL A 46 -6.602 -6.562 4.691 1.00 0.59 C ATOM 778 CG1 VAL A 46 -7.702 -7.620 4.890 1.00 1.81 C ATOM 779 CG2 VAL A 46 -6.628 -5.573 5.868 1.00 1.58 C ATOM 0 H VAL A 46 -4.981 -7.619 2.473 1.00 0.47 H new ATOM 0 HA VAL A 46 -4.527 -6.569 5.193 1.00 0.57 H new ATOM 0 HB VAL A 46 -6.838 -6.069 3.748 1.00 0.59 H new ATOM 0 HG11 VAL A 46 -8.665 -7.125 5.013 1.00 1.81 H new ATOM 0 HG12 VAL A 46 -7.739 -8.275 4.019 1.00 1.81 H new ATOM 0 HG13 VAL A 46 -7.482 -8.211 5.779 1.00 1.81 H new ATOM 0 HG21 VAL A 46 -7.639 -5.185 5.995 1.00 1.58 H new ATOM 0 HG22 VAL A 46 -6.318 -6.084 6.780 1.00 1.58 H new ATOM 0 HG23 VAL A 46 -5.946 -4.748 5.665 1.00 1.58 H new ATOM 789 N ARG A 47 -4.741 -8.882 6.152 1.00 0.82 N ATOM 790 CA ARG A 47 -4.379 -10.215 6.642 1.00 0.82 C ATOM 791 C ARG A 47 -4.701 -10.359 8.134 1.00 0.88 C ATOM 792 O ARG A 47 -4.194 -9.600 8.959 1.00 0.91 O ATOM 793 CB ARG A 47 -2.878 -10.414 6.376 1.00 0.86 C ATOM 794 CG ARG A 47 -2.398 -11.845 6.643 1.00 1.72 C ATOM 795 CD ARG A 47 -0.893 -11.905 6.363 1.00 1.54 C ATOM 796 NE ARG A 47 -0.395 -13.289 6.362 1.00 2.59 N ATOM 797 CZ ARG A 47 0.880 -13.659 6.376 1.00 2.92 C ATOM 798 NH1 ARG A 47 1.864 -12.786 6.483 1.00 2.70 N ATOM 799 NH2 ARG A 47 1.181 -14.935 6.278 1.00 3.97 N ATOM 0 H ARG A 47 -4.745 -8.173 6.885 1.00 0.82 H new ATOM 0 HA ARG A 47 -4.958 -10.979 6.123 1.00 0.82 H new ATOM 0 HB2 ARG A 47 -2.662 -10.154 5.340 1.00 0.86 H new ATOM 0 HB3 ARG A 47 -2.311 -9.725 7.002 1.00 0.86 H new ATOM 0 HG2 ARG A 47 -2.604 -12.129 7.675 1.00 1.72 H new ATOM 0 HG3 ARG A 47 -2.932 -12.550 6.006 1.00 1.72 H new ATOM 0 HD2 ARG A 47 -0.683 -11.442 5.399 1.00 1.54 H new ATOM 0 HD3 ARG A 47 -0.359 -11.327 7.117 1.00 1.54 H new ATOM 0 HE ARG A 47 -1.093 -14.033 6.349 1.00 2.59 H new ATOM 0 HH11 ARG A 47 1.656 -11.790 6.558 1.00 2.70 H new ATOM 0 HH12 ARG A 47 2.832 -13.107 6.490 1.00 2.70 H new ATOM 0 HH21 ARG A 47 0.438 -15.629 6.192 1.00 3.97 H new ATOM 0 HH22 ARG A 47 2.157 -15.231 6.288 1.00 3.97 H new ATOM 813 N HIS A 48 -5.517 -11.349 8.499 1.00 0.95 N ATOM 814 CA HIS A 48 -5.962 -11.558 9.884 1.00 1.05 C ATOM 815 C HIS A 48 -5.839 -13.039 10.341 1.00 1.22 C ATOM 816 O HIS A 48 -6.504 -13.918 9.778 1.00 1.30 O ATOM 817 CB HIS A 48 -7.359 -10.934 10.082 1.00 1.15 C ATOM 818 CG HIS A 48 -8.565 -11.568 9.421 1.00 2.28 C ATOM 819 ND1 HIS A 48 -9.851 -11.453 9.894 1.00 3.04 N ATOM 820 CD2 HIS A 48 -8.641 -12.265 8.241 1.00 3.56 C ATOM 821 CE1 HIS A 48 -10.679 -12.071 9.036 1.00 4.36 C ATOM 822 NE2 HIS A 48 -9.986 -12.582 8.002 1.00 4.78 N ATOM 0 H HIS A 48 -5.891 -12.033 7.842 1.00 0.95 H new ATOM 0 HA HIS A 48 -5.284 -11.033 10.557 1.00 1.05 H new ATOM 0 HB2 HIS A 48 -7.553 -10.905 11.154 1.00 1.15 H new ATOM 0 HB3 HIS A 48 -7.306 -9.901 9.739 1.00 1.15 H new ATOM 0 HD2 HIS A 48 -7.807 -12.525 7.605 1.00 3.56 H new ATOM 0 HE1 HIS A 48 -11.749 -12.147 9.159 1.00 4.36 H new ATOM 0 HE2 HIS A 48 -10.363 -13.096 7.206 1.00 4.78 H new ATOM 830 N PRO A 49 -4.990 -13.353 11.348 1.00 1.33 N ATOM 831 CA PRO A 49 -4.731 -14.718 11.804 1.00 1.49 C ATOM 832 C PRO A 49 -5.845 -15.182 12.759 1.00 1.57 C ATOM 833 O PRO A 49 -5.637 -15.334 13.963 1.00 1.75 O ATOM 834 CB PRO A 49 -3.339 -14.659 12.449 1.00 1.61 C ATOM 835 CG PRO A 49 -3.317 -13.264 13.070 1.00 1.58 C ATOM 836 CD PRO A 49 -4.095 -12.435 12.049 1.00 1.38 C ATOM 0 HA PRO A 49 -4.737 -15.456 11.002 1.00 1.49 H new ATOM 0 HB2 PRO A 49 -3.207 -15.439 13.199 1.00 1.61 H new ATOM 0 HB3 PRO A 49 -2.546 -14.787 11.713 1.00 1.61 H new ATOM 0 HG2 PRO A 49 -3.792 -13.249 14.051 1.00 1.58 H new ATOM 0 HG3 PRO A 49 -2.300 -12.895 13.202 1.00 1.58 H new ATOM 0 HD2 PRO A 49 -4.662 -11.646 12.544 1.00 1.38 H new ATOM 0 HD3 PRO A 49 -3.416 -11.948 11.349 1.00 1.38 H new ATOM 844 N VAL A 50 -7.048 -15.396 12.218 1.00 1.63 N ATOM 845 CA VAL A 50 -8.219 -15.832 13.004 1.00 1.73 C ATOM 846 C VAL A 50 -7.995 -17.262 13.536 1.00 1.90 C ATOM 847 O VAL A 50 -7.605 -18.131 12.754 1.00 2.01 O ATOM 848 CB VAL A 50 -9.527 -15.815 12.184 1.00 1.74 C ATOM 849 CG1 VAL A 50 -10.759 -16.096 13.063 1.00 1.87 C ATOM 850 CG2 VAL A 50 -9.788 -14.482 11.487 1.00 1.66 C ATOM 0 H VAL A 50 -7.243 -15.274 11.224 1.00 1.63 H new ATOM 0 HA VAL A 50 -8.323 -15.123 13.825 1.00 1.73 H new ATOM 0 HB VAL A 50 -9.384 -16.598 11.440 1.00 1.74 H new ATOM 0 HG11 VAL A 50 -11.658 -16.075 12.447 1.00 1.87 H new ATOM 0 HG12 VAL A 50 -10.659 -17.078 13.526 1.00 1.87 H new ATOM 0 HG13 VAL A 50 -10.833 -15.335 13.839 1.00 1.87 H new ATOM 0 HG21 VAL A 50 -10.723 -14.540 10.929 1.00 1.66 H new ATOM 0 HG22 VAL A 50 -9.859 -13.690 12.232 1.00 1.66 H new ATOM 0 HG23 VAL A 50 -8.969 -14.263 10.801 1.00 1.66 H new ATOM 860 N PRO A 51 -8.262 -17.540 14.829 1.00 1.97 N ATOM 861 CA PRO A 51 -8.126 -18.879 15.402 1.00 2.16 C ATOM 862 C PRO A 51 -9.363 -19.768 15.173 1.00 2.27 C ATOM 863 O PRO A 51 -9.258 -20.992 15.213 1.00 2.43 O ATOM 864 CB PRO A 51 -7.858 -18.629 16.888 1.00 2.23 C ATOM 865 CG PRO A 51 -8.580 -17.319 17.194 1.00 2.13 C ATOM 866 CD PRO A 51 -8.578 -16.562 15.863 1.00 1.94 C ATOM 0 HA PRO A 51 -7.323 -19.438 14.922 1.00 2.16 H new ATOM 0 HB2 PRO A 51 -8.239 -19.445 17.502 1.00 2.23 H new ATOM 0 HB3 PRO A 51 -6.790 -18.550 17.090 1.00 2.23 H new ATOM 0 HG2 PRO A 51 -9.595 -17.498 17.547 1.00 2.13 H new ATOM 0 HG3 PRO A 51 -8.066 -16.755 17.973 1.00 2.13 H new ATOM 0 HD2 PRO A 51 -9.548 -16.102 15.677 1.00 1.94 H new ATOM 0 HD3 PRO A 51 -7.841 -15.759 15.875 1.00 1.94 H new ATOM 874 N PHE A 52 -10.526 -19.159 14.914 1.00 2.23 N ATOM 875 CA PHE A 52 -11.810 -19.809 14.617 1.00 2.39 C ATOM 876 C PHE A 52 -11.992 -20.226 13.139 1.00 2.39 C ATOM 877 O PHE A 52 -12.964 -20.921 12.828 1.00 2.68 O ATOM 878 CB PHE A 52 -12.944 -18.862 15.048 1.00 2.41 C ATOM 879 CG PHE A 52 -13.045 -18.626 16.546 1.00 2.48 C ATOM 880 CD1 PHE A 52 -12.316 -17.588 17.158 1.00 2.57 C ATOM 881 CD2 PHE A 52 -13.887 -19.439 17.328 1.00 3.41 C ATOM 882 CE1 PHE A 52 -12.426 -17.368 18.543 1.00 2.69 C ATOM 883 CE2 PHE A 52 -14.001 -19.217 18.712 1.00 3.51 C ATOM 884 CZ PHE A 52 -13.269 -18.182 19.321 1.00 2.73 C ATOM 0 H PHE A 52 -10.602 -18.142 14.905 1.00 2.23 H new ATOM 0 HA PHE A 52 -11.833 -20.743 15.178 1.00 2.39 H new ATOM 0 HB2 PHE A 52 -12.804 -17.902 14.552 1.00 2.41 H new ATOM 0 HB3 PHE A 52 -13.891 -19.268 14.694 1.00 2.41 H new ATOM 0 HD1 PHE A 52 -11.671 -16.959 16.562 1.00 2.57 H new ATOM 0 HD2 PHE A 52 -14.448 -20.236 16.863 1.00 3.41 H new ATOM 0 HE1 PHE A 52 -11.863 -16.573 19.009 1.00 2.69 H new ATOM 0 HE2 PHE A 52 -14.651 -19.841 19.307 1.00 3.51 H new ATOM 0 HZ PHE A 52 -13.354 -18.012 20.384 1.00 2.73 H new ATOM 894 N THR A 53 -11.093 -19.819 12.228 1.00 2.08 N ATOM 895 CA THR A 53 -11.141 -20.157 10.789 1.00 2.00 C ATOM 896 C THR A 53 -9.747 -20.422 10.218 1.00 1.85 C ATOM 897 O THR A 53 -8.742 -20.189 10.890 1.00 1.77 O ATOM 898 CB THR A 53 -11.954 -19.117 9.995 1.00 1.95 C ATOM 899 OG1 THR A 53 -12.383 -19.744 8.805 1.00 2.26 O ATOM 900 CG2 THR A 53 -11.246 -17.813 9.639 1.00 1.65 C ATOM 0 H THR A 53 -10.294 -19.233 12.473 1.00 2.08 H new ATOM 0 HA THR A 53 -11.678 -21.099 10.680 1.00 2.00 H new ATOM 0 HB THR A 53 -12.764 -18.806 10.655 1.00 1.95 H new ATOM 0 HG1 THR A 53 -12.907 -19.110 8.272 1.00 2.26 H new ATOM 0 HG21 THR A 53 -11.927 -17.170 9.082 1.00 1.65 H new ATOM 0 HG22 THR A 53 -10.935 -17.307 10.553 1.00 1.65 H new ATOM 0 HG23 THR A 53 -10.370 -18.030 9.028 1.00 1.65 H new ATOM 908 N ARG A 54 -9.673 -20.906 8.974 1.00 1.92 N ATOM 909 CA ARG A 54 -8.404 -21.059 8.244 1.00 1.84 C ATOM 910 C ARG A 54 -7.893 -19.666 7.811 1.00 1.51 C ATOM 911 O ARG A 54 -8.719 -18.811 7.474 1.00 1.40 O ATOM 912 CB ARG A 54 -8.562 -22.012 7.043 1.00 2.04 C ATOM 913 CG ARG A 54 -8.383 -23.503 7.392 1.00 2.22 C ATOM 914 CD ARG A 54 -9.181 -23.963 8.619 1.00 3.70 C ATOM 915 NE ARG A 54 -9.329 -25.431 8.664 1.00 4.19 N ATOM 916 CZ ARG A 54 -8.489 -26.308 9.207 1.00 4.38 C ATOM 917 NH1 ARG A 54 -7.352 -25.942 9.761 1.00 4.24 N ATOM 918 NH2 ARG A 54 -8.791 -27.588 9.199 1.00 4.92 N ATOM 0 H ARG A 54 -10.490 -21.204 8.442 1.00 1.92 H new ATOM 0 HA ARG A 54 -7.663 -21.511 8.903 1.00 1.84 H new ATOM 0 HB2 ARG A 54 -9.551 -21.869 6.607 1.00 2.04 H new ATOM 0 HB3 ARG A 54 -7.834 -21.739 6.279 1.00 2.04 H new ATOM 0 HG2 ARG A 54 -8.681 -24.104 6.533 1.00 2.22 H new ATOM 0 HG3 ARG A 54 -7.325 -23.699 7.566 1.00 2.22 H new ATOM 0 HD2 ARG A 54 -8.681 -23.621 9.525 1.00 3.70 H new ATOM 0 HD3 ARG A 54 -10.167 -23.499 8.605 1.00 3.70 H new ATOM 0 HE ARG A 54 -10.168 -25.816 8.231 1.00 4.19 H new ATOM 0 HH11 ARG A 54 -7.090 -24.957 9.784 1.00 4.24 H new ATOM 0 HH12 ARG A 54 -6.733 -26.644 10.167 1.00 4.24 H new ATOM 0 HH21 ARG A 54 -9.665 -27.903 8.778 1.00 4.92 H new ATOM 0 HH22 ARG A 54 -8.151 -28.266 9.614 1.00 4.92 H new ATOM 932 N PRO A 55 -6.570 -19.413 7.819 1.00 1.50 N ATOM 933 CA PRO A 55 -6.005 -18.081 7.611 1.00 1.29 C ATOM 934 C PRO A 55 -6.156 -17.623 6.158 1.00 1.25 C ATOM 935 O PRO A 55 -6.143 -18.437 5.234 1.00 1.44 O ATOM 936 CB PRO A 55 -4.537 -18.183 8.036 1.00 1.56 C ATOM 937 CG PRO A 55 -4.199 -19.653 7.790 1.00 1.91 C ATOM 938 CD PRO A 55 -5.514 -20.374 8.096 1.00 1.82 C ATOM 0 HA PRO A 55 -6.530 -17.328 8.198 1.00 1.29 H new ATOM 0 HB2 PRO A 55 -3.901 -17.521 7.448 1.00 1.56 H new ATOM 0 HB3 PRO A 55 -4.402 -17.909 9.082 1.00 1.56 H new ATOM 0 HG2 PRO A 55 -3.876 -19.825 6.763 1.00 1.91 H new ATOM 0 HG3 PRO A 55 -3.393 -19.994 8.439 1.00 1.91 H new ATOM 0 HD2 PRO A 55 -5.624 -21.264 7.477 1.00 1.82 H new ATOM 0 HD3 PRO A 55 -5.547 -20.702 9.135 1.00 1.82 H new ATOM 946 N LYS A 56 -6.303 -16.308 5.965 1.00 1.05 N ATOM 947 CA LYS A 56 -6.600 -15.681 4.668 1.00 0.99 C ATOM 948 C LYS A 56 -5.843 -14.354 4.460 1.00 0.80 C ATOM 949 O LYS A 56 -5.476 -13.665 5.417 1.00 0.84 O ATOM 950 CB LYS A 56 -8.123 -15.421 4.556 1.00 1.17 C ATOM 951 CG LYS A 56 -9.030 -16.664 4.577 1.00 1.76 C ATOM 952 CD LYS A 56 -8.880 -17.568 3.345 1.00 2.54 C ATOM 953 CE LYS A 56 -9.803 -18.788 3.481 1.00 3.56 C ATOM 954 NZ LYS A 56 -9.718 -19.684 2.297 1.00 4.92 N ATOM 0 H LYS A 56 -6.217 -15.632 6.724 1.00 1.05 H new ATOM 0 HA LYS A 56 -6.267 -16.372 3.894 1.00 0.99 H new ATOM 0 HB2 LYS A 56 -8.420 -14.767 5.376 1.00 1.17 H new ATOM 0 HB3 LYS A 56 -8.310 -14.877 3.630 1.00 1.17 H new ATOM 0 HG2 LYS A 56 -8.810 -17.247 5.471 1.00 1.76 H new ATOM 0 HG3 LYS A 56 -10.068 -16.342 4.654 1.00 1.76 H new ATOM 0 HD2 LYS A 56 -9.128 -17.011 2.441 1.00 2.54 H new ATOM 0 HD3 LYS A 56 -7.844 -17.893 3.245 1.00 2.54 H new ATOM 0 HE2 LYS A 56 -9.536 -19.346 4.378 1.00 3.56 H new ATOM 0 HE3 LYS A 56 -10.832 -18.452 3.609 1.00 3.56 H new ATOM 0 HZ1 LYS A 56 -10.356 -20.495 2.429 1.00 4.92 H new ATOM 0 HZ2 LYS A 56 -9.997 -19.159 1.444 1.00 4.92 H new ATOM 0 HZ3 LYS A 56 -8.742 -20.026 2.190 1.00 4.92 H new ATOM 968 N VAL A 57 -5.686 -13.977 3.189 1.00 0.70 N ATOM 969 CA VAL A 57 -5.282 -12.642 2.719 1.00 0.59 C ATOM 970 C VAL A 57 -6.391 -12.115 1.797 1.00 0.57 C ATOM 971 O VAL A 57 -6.899 -12.865 0.963 1.00 0.62 O ATOM 972 CB VAL A 57 -3.935 -12.695 1.950 1.00 0.65 C ATOM 973 CG1 VAL A 57 -3.538 -11.332 1.359 1.00 1.70 C ATOM 974 CG2 VAL A 57 -2.783 -13.171 2.852 1.00 1.71 C ATOM 0 H VAL A 57 -5.844 -14.625 2.417 1.00 0.70 H new ATOM 0 HA VAL A 57 -5.140 -11.983 3.575 1.00 0.59 H new ATOM 0 HB VAL A 57 -4.097 -13.405 1.139 1.00 0.65 H new ATOM 0 HG11 VAL A 57 -2.589 -11.427 0.832 1.00 1.70 H new ATOM 0 HG12 VAL A 57 -4.308 -10.999 0.663 1.00 1.70 H new ATOM 0 HG13 VAL A 57 -3.436 -10.603 2.163 1.00 1.70 H new ATOM 0 HG21 VAL A 57 -1.857 -13.195 2.277 1.00 1.71 H new ATOM 0 HG22 VAL A 57 -2.671 -12.485 3.692 1.00 1.71 H new ATOM 0 HG23 VAL A 57 -3.003 -14.171 3.227 1.00 1.71 H new ATOM 984 N ALA A 58 -6.746 -10.835 1.930 1.00 0.55 N ATOM 985 CA ALA A 58 -7.578 -10.108 0.967 1.00 0.53 C ATOM 986 C ALA A 58 -6.829 -8.892 0.407 1.00 0.48 C ATOM 987 O ALA A 58 -5.911 -8.359 1.044 1.00 0.45 O ATOM 988 CB ALA A 58 -8.906 -9.688 1.613 1.00 0.65 C ATOM 0 H ALA A 58 -6.458 -10.264 2.725 1.00 0.55 H new ATOM 0 HA ALA A 58 -7.801 -10.774 0.134 1.00 0.53 H new ATOM 0 HB1 ALA A 58 -9.511 -9.149 0.884 1.00 0.65 H new ATOM 0 HB2 ALA A 58 -9.445 -10.575 1.947 1.00 0.65 H new ATOM 0 HB3 ALA A 58 -8.706 -9.041 2.467 1.00 0.65 H new ATOM 994 N PHE A 59 -7.249 -8.442 -0.775 1.00 0.58 N ATOM 995 CA PHE A 59 -6.603 -7.362 -1.511 1.00 0.53 C ATOM 996 C PHE A 59 -7.583 -6.561 -2.378 1.00 0.48 C ATOM 997 O PHE A 59 -8.542 -7.106 -2.929 1.00 0.53 O ATOM 998 CB PHE A 59 -5.415 -7.911 -2.319 1.00 0.51 C ATOM 999 CG PHE A 59 -5.580 -9.245 -3.040 1.00 0.48 C ATOM 1000 CD1 PHE A 59 -6.467 -9.364 -4.128 1.00 1.95 C ATOM 1001 CD2 PHE A 59 -4.796 -10.358 -2.666 1.00 1.71 C ATOM 1002 CE1 PHE A 59 -6.609 -10.593 -4.799 1.00 1.93 C ATOM 1003 CE2 PHE A 59 -4.940 -11.587 -3.336 1.00 1.78 C ATOM 1004 CZ PHE A 59 -5.854 -11.707 -4.396 1.00 0.64 C ATOM 0 H PHE A 59 -8.063 -8.827 -1.254 1.00 0.58 H new ATOM 0 HA PHE A 59 -6.219 -6.647 -0.784 1.00 0.53 H new ATOM 0 HB2 PHE A 59 -5.147 -7.162 -3.064 1.00 0.51 H new ATOM 0 HB3 PHE A 59 -4.567 -8.004 -1.640 1.00 0.51 H new ATOM 0 HD1 PHE A 59 -7.041 -8.507 -4.449 1.00 1.95 H new ATOM 0 HD2 PHE A 59 -4.082 -10.266 -1.861 1.00 1.71 H new ATOM 0 HE1 PHE A 59 -7.299 -10.680 -5.625 1.00 1.93 H new ATOM 0 HE2 PHE A 59 -4.348 -12.438 -3.035 1.00 1.78 H new ATOM 0 HZ PHE A 59 -5.976 -12.654 -4.900 1.00 0.64 H new ATOM 1014 N TYR A 60 -7.320 -5.256 -2.499 1.00 0.43 N ATOM 1015 CA TYR A 60 -8.164 -4.280 -3.206 1.00 0.45 C ATOM 1016 C TYR A 60 -7.300 -3.365 -4.092 1.00 0.41 C ATOM 1017 O TYR A 60 -6.250 -2.892 -3.644 1.00 0.40 O ATOM 1018 CB TYR A 60 -8.961 -3.438 -2.191 1.00 0.53 C ATOM 1019 CG TYR A 60 -9.640 -4.247 -1.098 1.00 0.58 C ATOM 1020 CD1 TYR A 60 -10.544 -5.272 -1.431 1.00 1.49 C ATOM 1021 CD2 TYR A 60 -9.307 -4.024 0.251 1.00 1.87 C ATOM 1022 CE1 TYR A 60 -11.088 -6.092 -0.427 1.00 1.40 C ATOM 1023 CE2 TYR A 60 -9.856 -4.831 1.265 1.00 2.02 C ATOM 1024 CZ TYR A 60 -10.746 -5.876 0.928 1.00 0.79 C ATOM 1025 OH TYR A 60 -11.260 -6.670 1.909 1.00 0.95 O ATOM 0 H TYR A 60 -6.485 -4.833 -2.094 1.00 0.43 H new ATOM 0 HA TYR A 60 -8.863 -4.821 -3.844 1.00 0.45 H new ATOM 0 HB2 TYR A 60 -8.287 -2.717 -1.727 1.00 0.53 H new ATOM 0 HB3 TYR A 60 -9.719 -2.867 -2.727 1.00 0.53 H new ATOM 0 HD1 TYR A 60 -10.821 -5.430 -2.463 1.00 1.49 H new ATOM 0 HD2 TYR A 60 -8.625 -3.228 0.510 1.00 1.87 H new ATOM 0 HE1 TYR A 60 -11.768 -6.888 -0.691 1.00 1.40 H new ATOM 0 HE2 TYR A 60 -9.598 -4.652 2.298 1.00 2.02 H new ATOM 0 HH TYR A 60 -10.916 -6.379 2.779 1.00 0.95 H new ATOM 1035 N THR A 61 -7.730 -3.108 -5.336 1.00 0.41 N ATOM 1036 CA THR A 61 -6.961 -2.363 -6.354 1.00 0.39 C ATOM 1037 C THR A 61 -7.803 -2.021 -7.582 1.00 0.46 C ATOM 1038 O THR A 61 -8.725 -2.756 -7.939 1.00 0.54 O ATOM 1039 CB THR A 61 -5.665 -3.108 -6.722 1.00 0.37 C ATOM 1040 OG1 THR A 61 -5.009 -2.365 -7.710 1.00 0.71 O ATOM 1041 CG2 THR A 61 -5.848 -4.522 -7.273 1.00 0.55 C ATOM 0 H THR A 61 -8.641 -3.417 -5.674 1.00 0.41 H new ATOM 0 HA THR A 61 -6.674 -1.409 -5.912 1.00 0.39 H new ATOM 0 HB THR A 61 -5.110 -3.209 -5.790 1.00 0.37 H new ATOM 0 HG1 THR A 61 -4.326 -2.922 -8.139 1.00 0.71 H new ATOM 0 HG21 THR A 61 -4.873 -4.954 -7.499 1.00 0.55 H new ATOM 0 HG22 THR A 61 -6.355 -5.139 -6.531 1.00 0.55 H new ATOM 0 HG23 THR A 61 -6.447 -4.483 -8.183 1.00 0.55 H new ATOM 1049 N ASN A 62 -7.460 -0.907 -8.231 1.00 0.49 N ATOM 1050 CA ASN A 62 -7.994 -0.471 -9.530 1.00 0.59 C ATOM 1051 C ASN A 62 -7.101 -0.909 -10.718 1.00 0.53 C ATOM 1052 O ASN A 62 -7.301 -0.470 -11.852 1.00 0.59 O ATOM 1053 CB ASN A 62 -8.216 1.049 -9.466 1.00 0.72 C ATOM 1054 CG ASN A 62 -8.944 1.642 -10.672 1.00 1.61 C ATOM 1055 OD1 ASN A 62 -9.908 1.084 -11.185 1.00 2.05 O ATOM 1056 ND2 ASN A 62 -8.527 2.809 -11.135 1.00 2.60 N ATOM 0 H ASN A 62 -6.774 -0.254 -7.853 1.00 0.49 H new ATOM 0 HA ASN A 62 -8.948 -0.962 -9.720 1.00 0.59 H new ATOM 0 HB2 ASN A 62 -8.785 1.281 -8.566 1.00 0.72 H new ATOM 0 HB3 ASN A 62 -7.248 1.540 -9.367 1.00 0.72 H new ATOM 0 HD21 ASN A 62 -9.008 3.247 -11.921 1.00 2.60 H new ATOM 0 HD22 ASN A 62 -7.725 3.271 -10.706 1.00 2.60 H new ATOM 1063 N TYR A 63 -6.131 -1.802 -10.487 1.00 0.45 N ATOM 1064 CA TYR A 63 -5.295 -2.410 -11.531 1.00 0.45 C ATOM 1065 C TYR A 63 -6.134 -3.048 -12.668 1.00 0.49 C ATOM 1066 O TYR A 63 -7.248 -3.528 -12.412 1.00 0.51 O ATOM 1067 CB TYR A 63 -4.427 -3.507 -10.889 1.00 0.42 C ATOM 1068 CG TYR A 63 -3.268 -3.111 -9.992 1.00 0.40 C ATOM 1069 CD1 TYR A 63 -2.704 -1.823 -10.030 1.00 1.82 C ATOM 1070 CD2 TYR A 63 -2.791 -4.050 -9.055 1.00 1.97 C ATOM 1071 CE1 TYR A 63 -1.710 -1.455 -9.109 1.00 1.83 C ATOM 1072 CE2 TYR A 63 -1.804 -3.685 -8.118 1.00 1.97 C ATOM 1073 CZ TYR A 63 -1.255 -2.379 -8.148 1.00 0.45 C ATOM 1074 OH TYR A 63 -0.305 -1.974 -7.262 1.00 0.55 O ATOM 0 H TYR A 63 -5.900 -2.130 -9.549 1.00 0.45 H new ATOM 0 HA TYR A 63 -4.687 -1.619 -11.970 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -5.088 -4.147 -10.305 1.00 0.42 H new ATOM 0 HB3 TYR A 63 -4.022 -4.118 -11.696 1.00 0.42 H new ATOM 0 HD1 TYR A 63 -3.038 -1.113 -10.772 1.00 1.82 H new ATOM 0 HD2 TYR A 63 -3.185 -5.056 -9.055 1.00 1.97 H new ATOM 0 HE1 TYR A 63 -1.293 -0.459 -9.138 1.00 1.83 H new ATOM 0 HE2 TYR A 63 -1.467 -4.398 -7.380 1.00 1.97 H new ATOM 0 HH TYR A 63 -0.644 -2.079 -6.348 1.00 0.55 H new ATOM 1084 N PRO A 64 -5.611 -3.083 -13.915 1.00 0.50 N ATOM 1085 CA PRO A 64 -6.315 -3.652 -15.057 1.00 0.52 C ATOM 1086 C PRO A 64 -6.500 -5.158 -14.863 1.00 0.50 C ATOM 1087 O PRO A 64 -5.621 -5.829 -14.319 1.00 0.48 O ATOM 1088 CB PRO A 64 -5.470 -3.328 -16.296 1.00 0.57 C ATOM 1089 CG PRO A 64 -4.067 -3.074 -15.745 1.00 0.56 C ATOM 1090 CD PRO A 64 -4.317 -2.564 -14.329 1.00 0.53 C ATOM 0 HA PRO A 64 -7.315 -3.233 -15.170 1.00 0.52 H new ATOM 0 HB2 PRO A 64 -5.474 -4.154 -17.007 1.00 0.57 H new ATOM 0 HB3 PRO A 64 -5.855 -2.454 -16.822 1.00 0.57 H new ATOM 0 HG2 PRO A 64 -3.468 -3.985 -15.742 1.00 0.56 H new ATOM 0 HG3 PRO A 64 -3.529 -2.340 -16.345 1.00 0.56 H new ATOM 0 HD2 PRO A 64 -3.531 -2.901 -13.653 1.00 0.53 H new ATOM 0 HD3 PRO A 64 -4.312 -1.474 -14.305 1.00 0.53 H new ATOM 1098 N GLU A 65 -7.632 -5.706 -15.317 1.00 0.52 N ATOM 1099 CA GLU A 65 -7.975 -7.111 -15.087 1.00 0.52 C ATOM 1100 C GLU A 65 -6.941 -8.080 -15.686 1.00 0.55 C ATOM 1101 O GLU A 65 -6.713 -9.151 -15.133 1.00 0.56 O ATOM 1102 CB GLU A 65 -9.393 -7.403 -15.605 1.00 0.56 C ATOM 1103 CG GLU A 65 -9.480 -7.567 -17.128 1.00 0.62 C ATOM 1104 CD GLU A 65 -10.936 -7.721 -17.592 1.00 0.83 C ATOM 1105 OE1 GLU A 65 -11.441 -8.868 -17.652 1.00 1.96 O ATOM 1106 OE2 GLU A 65 -11.585 -6.697 -17.911 1.00 1.52 O ATOM 0 H GLU A 65 -8.332 -5.191 -15.851 1.00 0.52 H new ATOM 0 HA GLU A 65 -7.956 -7.281 -14.011 1.00 0.52 H new ATOM 0 HB2 GLU A 65 -9.762 -8.312 -15.130 1.00 0.56 H new ATOM 0 HB3 GLU A 65 -10.055 -6.593 -15.299 1.00 0.56 H new ATOM 0 HG2 GLU A 65 -9.031 -6.701 -17.615 1.00 0.62 H new ATOM 0 HG3 GLU A 65 -8.904 -8.440 -17.435 1.00 0.62 H new ATOM 1113 N ALA A 66 -6.266 -7.687 -16.773 1.00 0.57 N ATOM 1114 CA ALA A 66 -5.189 -8.451 -17.401 1.00 0.60 C ATOM 1115 C ALA A 66 -3.974 -8.608 -16.466 1.00 0.57 C ATOM 1116 O ALA A 66 -3.405 -9.694 -16.381 1.00 0.60 O ATOM 1117 CB ALA A 66 -4.818 -7.748 -18.712 1.00 0.65 C ATOM 0 H ALA A 66 -6.461 -6.807 -17.250 1.00 0.57 H new ATOM 0 HA ALA A 66 -5.528 -9.466 -17.610 1.00 0.60 H new ATOM 0 HB1 ALA A 66 -4.015 -8.296 -19.204 1.00 0.65 H new ATOM 0 HB2 ALA A 66 -5.689 -7.715 -19.366 1.00 0.65 H new ATOM 0 HB3 ALA A 66 -4.486 -6.732 -18.499 1.00 0.65 H new ATOM 1123 N TRP A 67 -3.629 -7.560 -15.705 1.00 0.52 N ATOM 1124 CA TRP A 67 -2.570 -7.595 -14.689 1.00 0.48 C ATOM 1125 C TRP A 67 -3.038 -8.337 -13.434 1.00 0.45 C ATOM 1126 O TRP A 67 -2.293 -9.140 -12.876 1.00 0.49 O ATOM 1127 CB TRP A 67 -2.143 -6.160 -14.337 1.00 0.46 C ATOM 1128 CG TRP A 67 -1.126 -5.991 -13.244 1.00 0.46 C ATOM 1129 CD1 TRP A 67 -1.225 -5.079 -12.252 1.00 0.52 C ATOM 1130 CD2 TRP A 67 0.160 -6.663 -13.022 1.00 0.52 C ATOM 1131 NE1 TRP A 67 -0.152 -5.181 -11.399 1.00 0.61 N ATOM 1132 CE2 TRP A 67 0.770 -6.087 -11.862 1.00 0.61 C ATOM 1133 CE3 TRP A 67 0.901 -7.667 -13.688 1.00 0.59 C ATOM 1134 CZ2 TRP A 67 2.054 -6.435 -11.424 1.00 0.77 C ATOM 1135 CZ3 TRP A 67 2.162 -8.071 -13.209 1.00 0.73 C ATOM 1136 CH2 TRP A 67 2.754 -7.434 -12.110 1.00 0.82 C ATOM 0 H TRP A 67 -4.085 -6.651 -15.780 1.00 0.52 H new ATOM 0 HA TRP A 67 -1.714 -8.134 -15.096 1.00 0.48 H new ATOM 0 HB2 TRP A 67 -1.748 -5.695 -15.240 1.00 0.46 H new ATOM 0 HB3 TRP A 67 -3.036 -5.602 -14.056 1.00 0.46 H new ATOM 0 HD1 TRP A 67 -2.033 -4.370 -12.145 1.00 0.52 H new ATOM 0 HE1 TRP A 67 -0.053 -4.651 -10.533 1.00 0.61 H new ATOM 0 HE3 TRP A 67 0.494 -8.130 -14.575 1.00 0.59 H new ATOM 0 HZ2 TRP A 67 2.496 -5.941 -10.572 1.00 0.77 H new ATOM 0 HZ3 TRP A 67 2.681 -8.884 -13.696 1.00 0.73 H new ATOM 0 HH2 TRP A 67 3.748 -7.713 -11.793 1.00 0.82 H new ATOM 1147 N VAL A 68 -4.284 -8.096 -13.019 1.00 0.43 N ATOM 1148 CA VAL A 68 -4.872 -8.686 -11.805 1.00 0.42 C ATOM 1149 C VAL A 68 -5.068 -10.196 -11.961 1.00 0.50 C ATOM 1150 O VAL A 68 -4.793 -10.949 -11.025 1.00 0.53 O ATOM 1151 CB VAL A 68 -6.197 -7.977 -11.435 1.00 0.42 C ATOM 1152 CG1 VAL A 68 -6.972 -8.654 -10.299 1.00 0.43 C ATOM 1153 CG2 VAL A 68 -5.908 -6.537 -10.996 1.00 0.42 C ATOM 0 H VAL A 68 -4.924 -7.479 -13.520 1.00 0.43 H new ATOM 0 HA VAL A 68 -4.173 -8.533 -10.983 1.00 0.42 H new ATOM 0 HB VAL A 68 -6.812 -8.022 -12.334 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -7.887 -8.097 -10.100 1.00 0.43 H new ATOM 0 HG12 VAL A 68 -7.224 -9.674 -10.588 1.00 0.43 H new ATOM 0 HG13 VAL A 68 -6.356 -8.673 -9.400 1.00 0.43 H new ATOM 0 HG21 VAL A 68 -6.843 -6.041 -10.736 1.00 0.42 H new ATOM 0 HG22 VAL A 68 -5.249 -6.547 -10.128 1.00 0.42 H new ATOM 0 HG23 VAL A 68 -5.426 -5.998 -11.811 1.00 0.42 H new ATOM 1163 N SER A 69 -5.501 -10.652 -13.140 1.00 0.55 N ATOM 1164 CA SER A 69 -5.556 -12.081 -13.463 1.00 0.64 C ATOM 1165 C SER A 69 -4.150 -12.683 -13.552 1.00 0.69 C ATOM 1166 O SER A 69 -3.886 -13.673 -12.882 1.00 0.77 O ATOM 1167 CB SER A 69 -6.328 -12.304 -14.772 1.00 0.70 C ATOM 1168 OG SER A 69 -6.578 -13.685 -15.004 1.00 0.80 O ATOM 0 H SER A 69 -5.822 -10.045 -13.894 1.00 0.55 H new ATOM 0 HA SER A 69 -6.084 -12.591 -12.657 1.00 0.64 H new ATOM 0 HB2 SER A 69 -7.274 -11.764 -14.734 1.00 0.70 H new ATOM 0 HB3 SER A 69 -5.759 -11.892 -15.605 1.00 0.70 H new ATOM 0 HG SER A 69 -7.072 -13.791 -15.844 1.00 0.80 H new ATOM 1174 N TYR A 70 -3.211 -12.075 -14.290 1.00 0.66 N ATOM 1175 CA TYR A 70 -1.842 -12.589 -14.462 1.00 0.69 C ATOM 1176 C TYR A 70 -1.105 -12.774 -13.128 1.00 0.67 C ATOM 1177 O TYR A 70 -0.486 -13.815 -12.900 1.00 0.72 O ATOM 1178 CB TYR A 70 -1.094 -11.619 -15.382 1.00 0.70 C ATOM 1179 CG TYR A 70 0.343 -11.998 -15.654 1.00 0.74 C ATOM 1180 CD1 TYR A 70 0.627 -13.050 -16.541 1.00 1.50 C ATOM 1181 CD2 TYR A 70 1.389 -11.299 -15.030 1.00 2.05 C ATOM 1182 CE1 TYR A 70 1.963 -13.392 -16.825 1.00 1.50 C ATOM 1183 CE2 TYR A 70 2.726 -11.620 -15.324 1.00 2.10 C ATOM 1184 CZ TYR A 70 3.020 -12.663 -16.233 1.00 0.83 C ATOM 1185 OH TYR A 70 4.313 -12.968 -16.534 1.00 0.89 O ATOM 0 H TYR A 70 -3.381 -11.203 -14.791 1.00 0.66 H new ATOM 0 HA TYR A 70 -1.886 -13.583 -14.906 1.00 0.69 H new ATOM 0 HB2 TYR A 70 -1.626 -11.555 -16.331 1.00 0.70 H new ATOM 0 HB3 TYR A 70 -1.116 -10.625 -14.936 1.00 0.70 H new ATOM 0 HD1 TYR A 70 -0.180 -13.597 -17.005 1.00 1.50 H new ATOM 0 HD2 TYR A 70 1.166 -10.514 -14.323 1.00 2.05 H new ATOM 0 HE1 TYR A 70 2.180 -14.211 -17.495 1.00 1.50 H new ATOM 0 HE2 TYR A 70 3.529 -11.070 -14.856 1.00 2.10 H new ATOM 0 HH TYR A 70 4.913 -12.370 -16.041 1.00 0.89 H new ATOM 1195 N TYR A 71 -1.237 -11.807 -12.217 1.00 0.60 N ATOM 1196 CA TYR A 71 -0.648 -11.857 -10.880 1.00 0.60 C ATOM 1197 C TYR A 71 -1.189 -13.029 -10.041 1.00 0.67 C ATOM 1198 O TYR A 71 -0.426 -13.725 -9.369 1.00 0.73 O ATOM 1199 CB TYR A 71 -0.888 -10.501 -10.199 1.00 0.57 C ATOM 1200 CG TYR A 71 -0.176 -10.374 -8.870 1.00 0.91 C ATOM 1201 CD1 TYR A 71 1.206 -10.120 -8.854 1.00 2.36 C ATOM 1202 CD2 TYR A 71 -0.872 -10.567 -7.661 1.00 1.52 C ATOM 1203 CE1 TYR A 71 1.901 -10.094 -7.633 1.00 2.85 C ATOM 1204 CE2 TYR A 71 -0.186 -10.484 -6.434 1.00 1.75 C ATOM 1205 CZ TYR A 71 1.206 -10.259 -6.417 1.00 2.03 C ATOM 1206 OH TYR A 71 1.874 -10.161 -5.236 1.00 2.62 O ATOM 0 H TYR A 71 -1.766 -10.953 -12.393 1.00 0.60 H new ATOM 0 HA TYR A 71 0.423 -12.040 -10.967 1.00 0.60 H new ATOM 0 HB2 TYR A 71 -0.554 -9.703 -10.862 1.00 0.57 H new ATOM 0 HB3 TYR A 71 -1.958 -10.361 -10.047 1.00 0.57 H new ATOM 0 HD1 TYR A 71 1.734 -9.945 -9.780 1.00 2.36 H new ATOM 0 HD2 TYR A 71 -1.931 -10.778 -7.675 1.00 1.52 H new ATOM 0 HE1 TYR A 71 2.971 -9.947 -7.626 1.00 2.85 H new ATOM 0 HE2 TYR A 71 -0.726 -10.593 -5.505 1.00 1.75 H new ATOM 0 HH TYR A 71 1.267 -9.824 -4.544 1.00 2.62 H new ATOM 1216 N GLN A 72 -2.499 -13.271 -10.099 1.00 0.69 N ATOM 1217 CA GLN A 72 -3.160 -14.400 -9.438 1.00 0.74 C ATOM 1218 C GLN A 72 -2.889 -15.753 -10.122 1.00 0.80 C ATOM 1219 O GLN A 72 -2.655 -16.749 -9.440 1.00 0.87 O ATOM 1220 CB GLN A 72 -4.663 -14.083 -9.349 1.00 0.77 C ATOM 1221 CG GLN A 72 -4.948 -13.114 -8.187 1.00 0.82 C ATOM 1222 CD GLN A 72 -6.422 -12.722 -8.134 1.00 1.29 C ATOM 1223 OE1 GLN A 72 -7.219 -13.270 -7.383 1.00 1.40 O ATOM 1224 NE2 GLN A 72 -6.843 -11.780 -8.951 1.00 2.64 N ATOM 0 H GLN A 72 -3.145 -12.676 -10.617 1.00 0.69 H new ATOM 0 HA GLN A 72 -2.742 -14.517 -8.438 1.00 0.74 H new ATOM 0 HB2 GLN A 72 -5.003 -13.644 -10.287 1.00 0.77 H new ATOM 0 HB3 GLN A 72 -5.226 -15.005 -9.206 1.00 0.77 H new ATOM 0 HG2 GLN A 72 -4.660 -13.580 -7.245 1.00 0.82 H new ATOM 0 HG3 GLN A 72 -4.336 -12.219 -8.300 1.00 0.82 H new ATOM 0 HE21 GLN A 72 -6.185 -11.319 -9.580 1.00 2.64 H new ATOM 0 HE22 GLN A 72 -7.827 -11.511 -8.956 1.00 2.64 H new ATOM 1233 N ALA A 73 -2.904 -15.803 -11.457 1.00 0.80 N ATOM 1234 CA ALA A 73 -2.895 -17.029 -12.264 1.00 0.87 C ATOM 1235 C ALA A 73 -1.532 -17.738 -12.259 1.00 0.87 C ATOM 1236 O ALA A 73 -1.459 -18.964 -12.188 1.00 0.95 O ATOM 1237 CB ALA A 73 -3.305 -16.648 -13.696 1.00 0.88 C ATOM 0 H ALA A 73 -2.924 -14.958 -12.029 1.00 0.80 H new ATOM 0 HA ALA A 73 -3.598 -17.740 -11.831 1.00 0.87 H new ATOM 0 HB1 ALA A 73 -3.308 -17.540 -14.323 1.00 0.88 H new ATOM 0 HB2 ALA A 73 -4.303 -16.209 -13.684 1.00 0.88 H new ATOM 0 HB3 ALA A 73 -2.595 -15.925 -14.097 1.00 0.88 H new ATOM 1243 N LYS A 74 -0.451 -16.956 -12.321 1.00 0.80 N ATOM 1244 CA LYS A 74 0.937 -17.418 -12.170 1.00 0.84 C ATOM 1245 C LYS A 74 1.412 -17.428 -10.698 1.00 0.81 C ATOM 1246 O LYS A 74 2.547 -17.814 -10.415 1.00 0.85 O ATOM 1247 CB LYS A 74 1.814 -16.518 -13.058 1.00 0.88 C ATOM 1248 CG LYS A 74 2.038 -17.026 -14.489 1.00 0.97 C ATOM 1249 CD LYS A 74 0.816 -17.469 -15.307 1.00 1.05 C ATOM 1250 CE LYS A 74 -0.002 -16.263 -15.786 1.00 1.42 C ATOM 1251 NZ LYS A 74 -1.126 -16.680 -16.670 1.00 1.78 N ATOM 0 H LYS A 74 -0.517 -15.951 -12.483 1.00 0.80 H new ATOM 0 HA LYS A 74 1.015 -18.458 -12.487 1.00 0.84 H new ATOM 0 HB2 LYS A 74 1.357 -15.530 -13.108 1.00 0.88 H new ATOM 0 HB3 LYS A 74 2.785 -16.396 -12.577 1.00 0.88 H new ATOM 0 HG2 LYS A 74 2.542 -16.236 -15.046 1.00 0.97 H new ATOM 0 HG3 LYS A 74 2.727 -17.869 -14.438 1.00 0.97 H new ATOM 0 HD2 LYS A 74 1.144 -18.053 -16.167 1.00 1.05 H new ATOM 0 HD3 LYS A 74 0.187 -18.120 -14.700 1.00 1.05 H new ATOM 0 HE2 LYS A 74 -0.396 -15.725 -14.924 1.00 1.42 H new ATOM 0 HE3 LYS A 74 0.648 -15.572 -16.324 1.00 1.42 H new ATOM 0 HZ1 LYS A 74 -1.658 -15.840 -16.975 1.00 1.78 H new ATOM 0 HZ2 LYS A 74 -0.747 -17.172 -17.504 1.00 1.78 H new ATOM 0 HZ3 LYS A 74 -1.759 -17.320 -16.149 1.00 1.78 H new ATOM 1265 N ASN A 75 0.553 -17.004 -9.762 1.00 0.77 N ATOM 1266 CA ASN A 75 0.756 -17.038 -8.306 1.00 0.76 C ATOM 1267 C ASN A 75 1.924 -16.138 -7.842 1.00 0.67 C ATOM 1268 O ASN A 75 2.737 -16.528 -7.000 1.00 0.68 O ATOM 1269 CB ASN A 75 0.877 -18.489 -7.795 1.00 0.91 C ATOM 1270 CG ASN A 75 -0.247 -19.401 -8.278 1.00 1.15 C ATOM 1271 OD1 ASN A 75 -0.059 -20.238 -9.153 1.00 1.98 O ATOM 1272 ND2 ASN A 75 -1.442 -19.269 -7.729 1.00 1.49 N ATOM 0 H ASN A 75 -0.352 -16.606 -10.013 1.00 0.77 H new ATOM 0 HA ASN A 75 -0.135 -16.609 -7.847 1.00 0.76 H new ATOM 0 HB2 ASN A 75 1.833 -18.901 -8.119 1.00 0.91 H new ATOM 0 HB3 ASN A 75 0.886 -18.482 -6.705 1.00 0.91 H new ATOM 0 HD21 ASN A 75 -2.212 -19.865 -8.033 1.00 1.49 H new ATOM 0 HD22 ASN A 75 -1.594 -18.571 -7.001 1.00 1.49 H new ATOM 1279 N PHE A 76 2.028 -14.918 -8.386 1.00 0.63 N ATOM 1280 CA PHE A 76 3.138 -13.992 -8.140 1.00 0.59 C ATOM 1281 C PHE A 76 3.230 -13.493 -6.684 1.00 0.57 C ATOM 1282 O PHE A 76 4.293 -13.008 -6.296 1.00 0.57 O ATOM 1283 CB PHE A 76 3.031 -12.825 -9.124 1.00 0.56 C ATOM 1284 CG PHE A 76 3.645 -13.059 -10.487 1.00 0.60 C ATOM 1285 CD1 PHE A 76 5.009 -12.786 -10.678 1.00 1.80 C ATOM 1286 CD2 PHE A 76 2.861 -13.484 -11.574 1.00 1.36 C ATOM 1287 CE1 PHE A 76 5.590 -12.917 -11.950 1.00 1.82 C ATOM 1288 CE2 PHE A 76 3.443 -13.614 -12.847 1.00 1.39 C ATOM 1289 CZ PHE A 76 4.805 -13.335 -13.037 1.00 0.69 C ATOM 0 H PHE A 76 1.327 -14.541 -9.023 1.00 0.63 H new ATOM 0 HA PHE A 76 4.065 -14.542 -8.301 1.00 0.59 H new ATOM 0 HB2 PHE A 76 1.977 -12.581 -9.257 1.00 0.56 H new ATOM 0 HB3 PHE A 76 3.506 -11.952 -8.677 1.00 0.56 H new ATOM 0 HD1 PHE A 76 5.616 -12.473 -9.841 1.00 1.80 H new ATOM 0 HD2 PHE A 76 1.815 -13.710 -11.431 1.00 1.36 H new ATOM 0 HE1 PHE A 76 6.638 -12.697 -12.092 1.00 1.82 H new ATOM 0 HE2 PHE A 76 2.838 -13.931 -13.684 1.00 1.39 H new ATOM 0 HZ PHE A 76 5.248 -13.441 -14.016 1.00 0.69 H new ATOM 1299 N LEU A 77 2.204 -13.706 -5.841 1.00 0.59 N ATOM 1300 CA LEU A 77 2.324 -13.548 -4.380 1.00 0.63 C ATOM 1301 C LEU A 77 3.471 -14.393 -3.778 1.00 0.64 C ATOM 1302 O LEU A 77 3.937 -14.090 -2.682 1.00 0.68 O ATOM 1303 CB LEU A 77 1.003 -13.893 -3.651 1.00 0.73 C ATOM 1304 CG LEU A 77 -0.166 -12.895 -3.770 1.00 0.74 C ATOM 1305 CD1 LEU A 77 -1.109 -13.260 -4.925 1.00 1.26 C ATOM 1306 CD2 LEU A 77 -0.992 -12.877 -2.473 1.00 1.08 C ATOM 0 H LEU A 77 1.274 -13.991 -6.150 1.00 0.59 H new ATOM 0 HA LEU A 77 2.556 -12.495 -4.223 1.00 0.63 H new ATOM 0 HB2 LEU A 77 0.658 -14.858 -4.022 1.00 0.73 H new ATOM 0 HB3 LEU A 77 1.228 -14.020 -2.592 1.00 0.73 H new ATOM 0 HG LEU A 77 0.275 -11.916 -3.959 1.00 0.74 H new ATOM 0 HD11 LEU A 77 -1.920 -12.533 -4.976 1.00 1.26 H new ATOM 0 HD12 LEU A 77 -0.555 -13.252 -5.864 1.00 1.26 H new ATOM 0 HD13 LEU A 77 -1.523 -14.254 -4.756 1.00 1.26 H new ATOM 0 HD21 LEU A 77 -1.813 -12.167 -2.574 1.00 1.08 H new ATOM 0 HD22 LEU A 77 -1.394 -13.872 -2.284 1.00 1.08 H new ATOM 0 HD23 LEU A 77 -0.355 -12.579 -1.640 1.00 1.08 H new ATOM 1318 N ALA A 78 3.957 -15.427 -4.475 1.00 0.64 N ATOM 1319 CA ALA A 78 5.117 -16.218 -4.062 1.00 0.67 C ATOM 1320 C ALA A 78 6.472 -15.500 -4.252 1.00 0.66 C ATOM 1321 O ALA A 78 7.446 -15.881 -3.598 1.00 0.69 O ATOM 1322 CB ALA A 78 5.083 -17.532 -4.849 1.00 0.71 C ATOM 0 H ALA A 78 3.547 -15.741 -5.355 1.00 0.64 H new ATOM 0 HA ALA A 78 5.044 -16.390 -2.988 1.00 0.67 H new ATOM 0 HB1 ALA A 78 5.936 -18.148 -4.565 1.00 0.71 H new ATOM 0 HB2 ALA A 78 4.159 -18.066 -4.626 1.00 0.71 H new ATOM 0 HB3 ALA A 78 5.129 -17.318 -5.917 1.00 0.71 H new ATOM 1328 N ILE A 79 6.562 -14.498 -5.143 1.00 0.65 N ATOM 1329 CA ILE A 79 7.839 -13.864 -5.554 1.00 0.65 C ATOM 1330 C ILE A 79 7.871 -12.332 -5.404 1.00 0.61 C ATOM 1331 O ILE A 79 8.948 -11.739 -5.458 1.00 0.62 O ATOM 1332 CB ILE A 79 8.268 -14.323 -6.976 1.00 0.70 C ATOM 1333 CG1 ILE A 79 7.504 -13.687 -8.162 1.00 0.70 C ATOM 1334 CG2 ILE A 79 8.166 -15.853 -7.108 1.00 0.75 C ATOM 1335 CD1 ILE A 79 8.171 -12.421 -8.715 1.00 0.73 C ATOM 0 H ILE A 79 5.746 -14.097 -5.606 1.00 0.65 H new ATOM 0 HA ILE A 79 8.582 -14.223 -4.842 1.00 0.65 H new ATOM 0 HB ILE A 79 9.296 -13.969 -7.053 1.00 0.70 H new ATOM 0 HG12 ILE A 79 7.417 -14.421 -8.963 1.00 0.70 H new ATOM 0 HG13 ILE A 79 6.491 -13.443 -7.842 1.00 0.70 H new ATOM 0 HG21 ILE A 79 8.471 -16.153 -8.111 1.00 0.75 H new ATOM 0 HG22 ILE A 79 8.818 -16.326 -6.374 1.00 0.75 H new ATOM 0 HG23 ILE A 79 7.137 -16.165 -6.933 1.00 0.75 H new ATOM 0 HD11 ILE A 79 7.580 -12.031 -9.544 1.00 0.73 H new ATOM 0 HD12 ILE A 79 8.233 -11.669 -7.928 1.00 0.73 H new ATOM 0 HD13 ILE A 79 9.174 -12.662 -9.067 1.00 0.73 H new ATOM 1347 N ASP A 80 6.726 -11.682 -5.186 1.00 0.60 N ATOM 1348 CA ASP A 80 6.614 -10.233 -4.988 1.00 0.63 C ATOM 1349 C ASP A 80 7.060 -9.814 -3.564 1.00 0.63 C ATOM 1350 O ASP A 80 6.512 -10.329 -2.582 1.00 0.69 O ATOM 1351 CB ASP A 80 5.164 -9.812 -5.274 1.00 0.75 C ATOM 1352 CG ASP A 80 4.974 -8.286 -5.304 1.00 1.22 C ATOM 1353 OD1 ASP A 80 5.558 -7.594 -4.436 1.00 2.26 O ATOM 1354 OD2 ASP A 80 4.256 -7.789 -6.200 1.00 2.22 O ATOM 0 H ASP A 80 5.826 -12.160 -5.141 1.00 0.60 H new ATOM 0 HA ASP A 80 7.284 -9.720 -5.679 1.00 0.63 H new ATOM 0 HB2 ASP A 80 4.853 -10.230 -6.231 1.00 0.75 H new ATOM 0 HB3 ASP A 80 4.511 -10.239 -4.513 1.00 0.75 H new ATOM 1359 N PRO A 81 8.012 -8.866 -3.421 1.00 0.65 N ATOM 1360 CA PRO A 81 8.538 -8.460 -2.125 1.00 0.71 C ATOM 1361 C PRO A 81 7.599 -7.547 -1.315 1.00 0.67 C ATOM 1362 O PRO A 81 7.841 -7.413 -0.117 1.00 0.74 O ATOM 1363 CB PRO A 81 9.876 -7.779 -2.438 1.00 0.78 C ATOM 1364 CG PRO A 81 9.617 -7.138 -3.799 1.00 0.75 C ATOM 1365 CD PRO A 81 8.732 -8.175 -4.487 1.00 0.71 C ATOM 0 HA PRO A 81 8.651 -9.328 -1.475 1.00 0.71 H new ATOM 0 HB2 PRO A 81 10.138 -7.037 -1.684 1.00 0.78 H new ATOM 0 HB3 PRO A 81 10.696 -8.496 -2.478 1.00 0.78 H new ATOM 0 HG2 PRO A 81 9.116 -6.174 -3.705 1.00 0.75 H new ATOM 0 HG3 PRO A 81 10.542 -6.964 -4.349 1.00 0.75 H new ATOM 0 HD2 PRO A 81 8.039 -7.697 -5.179 1.00 0.71 H new ATOM 0 HD3 PRO A 81 9.332 -8.875 -5.069 1.00 0.71 H new ATOM 1373 N VAL A 82 6.543 -6.937 -1.886 1.00 0.60 N ATOM 1374 CA VAL A 82 5.707 -5.956 -1.144 1.00 0.61 C ATOM 1375 C VAL A 82 4.834 -6.571 -0.032 1.00 0.66 C ATOM 1376 O VAL A 82 4.166 -5.839 0.698 1.00 0.71 O ATOM 1377 CB VAL A 82 4.840 -5.039 -2.045 1.00 0.69 C ATOM 1378 CG1 VAL A 82 5.629 -4.406 -3.208 1.00 1.99 C ATOM 1379 CG2 VAL A 82 3.543 -5.686 -2.545 1.00 1.72 C ATOM 0 H VAL A 82 6.245 -7.099 -2.848 1.00 0.60 H new ATOM 0 HA VAL A 82 6.460 -5.331 -0.664 1.00 0.61 H new ATOM 0 HB VAL A 82 4.539 -4.232 -1.376 1.00 0.69 H new ATOM 0 HG11 VAL A 82 4.964 -3.777 -3.799 1.00 1.99 H new ATOM 0 HG12 VAL A 82 6.442 -3.800 -2.809 1.00 1.99 H new ATOM 0 HG13 VAL A 82 6.040 -5.193 -3.840 1.00 1.99 H new ATOM 0 HG21 VAL A 82 2.998 -4.976 -3.167 1.00 1.72 H new ATOM 0 HG22 VAL A 82 3.782 -6.574 -3.131 1.00 1.72 H new ATOM 0 HG23 VAL A 82 2.926 -5.969 -1.693 1.00 1.72 H new ATOM 1389 N LEU A 83 4.836 -7.903 0.105 1.00 0.76 N ATOM 1390 CA LEU A 83 4.165 -8.653 1.175 1.00 0.87 C ATOM 1391 C LEU A 83 5.147 -9.418 2.090 1.00 0.95 C ATOM 1392 O LEU A 83 4.719 -10.110 3.014 1.00 1.06 O ATOM 1393 CB LEU A 83 3.072 -9.541 0.535 1.00 0.89 C ATOM 1394 CG LEU A 83 3.512 -10.547 -0.559 1.00 0.78 C ATOM 1395 CD1 LEU A 83 4.353 -11.712 -0.013 1.00 1.05 C ATOM 1396 CD2 LEU A 83 2.258 -11.110 -1.248 1.00 0.86 C ATOM 0 H LEU A 83 5.324 -8.512 -0.552 1.00 0.76 H new ATOM 0 HA LEU A 83 3.684 -7.956 1.861 1.00 0.87 H new ATOM 0 HB2 LEU A 83 2.587 -10.104 1.333 1.00 0.89 H new ATOM 0 HB3 LEU A 83 2.317 -8.885 0.103 1.00 0.89 H new ATOM 0 HG LEU A 83 4.144 -10.003 -1.261 1.00 0.78 H new ATOM 0 HD11 LEU A 83 4.627 -12.378 -0.831 1.00 1.05 H new ATOM 0 HD12 LEU A 83 5.257 -11.321 0.454 1.00 1.05 H new ATOM 0 HD13 LEU A 83 3.773 -12.265 0.726 1.00 1.05 H new ATOM 0 HD21 LEU A 83 2.555 -11.820 -2.020 1.00 0.86 H new ATOM 0 HD22 LEU A 83 1.634 -11.616 -0.511 1.00 0.86 H new ATOM 0 HD23 LEU A 83 1.695 -10.294 -1.702 1.00 0.86 H new ATOM 1408 N ASN A 84 6.458 -9.310 1.837 1.00 0.96 N ATOM 1409 CA ASN A 84 7.515 -10.055 2.531 1.00 1.10 C ATOM 1410 C ASN A 84 8.225 -9.174 3.581 1.00 1.07 C ATOM 1411 O ASN A 84 9.025 -8.323 3.181 1.00 1.04 O ATOM 1412 CB ASN A 84 8.520 -10.541 1.473 1.00 1.21 C ATOM 1413 CG ASN A 84 9.621 -11.442 2.041 1.00 2.01 C ATOM 1414 OD1 ASN A 84 9.868 -11.501 3.242 1.00 3.08 O ATOM 1415 ND2 ASN A 84 10.323 -12.165 1.189 1.00 1.96 N ATOM 0 H ASN A 84 6.823 -8.682 1.121 1.00 0.96 H new ATOM 0 HA ASN A 84 7.079 -10.900 3.064 1.00 1.10 H new ATOM 0 HB2 ASN A 84 7.982 -11.084 0.696 1.00 1.21 H new ATOM 0 HB3 ASN A 84 8.980 -9.675 0.997 1.00 1.21 H new ATOM 0 HD21 ASN A 84 11.069 -12.772 1.529 1.00 1.96 H new ATOM 0 HD22 ASN A 84 10.119 -12.117 0.191 1.00 1.96 H new ATOM 1422 N PRO A 85 8.015 -9.386 4.898 1.00 1.12 N ATOM 1423 CA PRO A 85 8.485 -8.471 5.941 1.00 1.12 C ATOM 1424 C PRO A 85 10.016 -8.409 6.076 1.00 1.17 C ATOM 1425 O PRO A 85 10.529 -7.421 6.599 1.00 1.18 O ATOM 1426 CB PRO A 85 7.808 -8.946 7.231 1.00 1.19 C ATOM 1427 CG PRO A 85 7.569 -10.433 6.988 1.00 1.27 C ATOM 1428 CD PRO A 85 7.258 -10.480 5.494 1.00 1.23 C ATOM 0 HA PRO A 85 8.218 -7.444 5.691 1.00 1.12 H new ATOM 0 HB2 PRO A 85 8.443 -8.780 8.101 1.00 1.19 H new ATOM 0 HB3 PRO A 85 6.874 -8.415 7.412 1.00 1.19 H new ATOM 0 HG2 PRO A 85 8.445 -11.031 7.239 1.00 1.27 H new ATOM 0 HG3 PRO A 85 6.741 -10.814 7.587 1.00 1.27 H new ATOM 0 HD2 PRO A 85 7.550 -11.438 5.063 1.00 1.23 H new ATOM 0 HD3 PRO A 85 6.190 -10.361 5.313 1.00 1.23 H new ATOM 1436 N GLU A 86 10.757 -9.408 5.580 1.00 1.24 N ATOM 1437 CA GLU A 86 12.226 -9.437 5.637 1.00 1.34 C ATOM 1438 C GLU A 86 12.885 -8.360 4.756 1.00 1.29 C ATOM 1439 O GLU A 86 13.983 -7.895 5.074 1.00 1.38 O ATOM 1440 CB GLU A 86 12.747 -10.820 5.212 1.00 1.48 C ATOM 1441 CG GLU A 86 12.191 -11.992 6.037 1.00 1.52 C ATOM 1442 CD GLU A 86 12.473 -11.842 7.545 1.00 3.19 C ATOM 1443 OE1 GLU A 86 13.655 -11.902 7.958 1.00 4.53 O ATOM 1444 OE2 GLU A 86 11.511 -11.681 8.333 1.00 4.14 O ATOM 0 H GLU A 86 10.352 -10.226 5.124 1.00 1.24 H new ATOM 0 HA GLU A 86 12.497 -9.227 6.672 1.00 1.34 H new ATOM 0 HB2 GLU A 86 12.499 -10.981 4.163 1.00 1.48 H new ATOM 0 HB3 GLU A 86 13.834 -10.823 5.287 1.00 1.48 H new ATOM 0 HG2 GLU A 86 11.115 -12.065 5.878 1.00 1.52 H new ATOM 0 HG3 GLU A 86 12.630 -12.923 5.680 1.00 1.52 H new ATOM 1451 N ASN A 87 12.236 -7.941 3.659 1.00 1.19 N ATOM 1452 CA ASN A 87 12.781 -6.936 2.736 1.00 1.16 C ATOM 1453 C ASN A 87 12.556 -5.486 3.228 1.00 1.06 C ATOM 1454 O ASN A 87 13.214 -4.559 2.750 1.00 1.09 O ATOM 1455 CB ASN A 87 12.190 -7.157 1.326 1.00 1.17 C ATOM 1456 CG ASN A 87 13.174 -6.830 0.196 1.00 1.75 C ATOM 1457 OD1 ASN A 87 13.322 -7.591 -0.753 1.00 2.31 O ATOM 1458 ND2 ASN A 87 13.891 -5.722 0.255 1.00 2.96 N ATOM 0 H ASN A 87 11.317 -8.291 3.387 1.00 1.19 H new ATOM 0 HA ASN A 87 13.862 -7.068 2.696 1.00 1.16 H new ATOM 0 HB2 ASN A 87 11.872 -8.195 1.232 1.00 1.17 H new ATOM 0 HB3 ASN A 87 11.299 -6.539 1.212 1.00 1.17 H new ATOM 0 HD21 ASN A 87 14.560 -5.507 -0.485 1.00 2.96 H new ATOM 0 HD22 ASN A 87 13.776 -5.081 1.040 1.00 2.96 H new ATOM 1465 N PHE A 88 11.644 -5.269 4.185 1.00 1.00 N ATOM 1466 CA PHE A 88 11.331 -3.957 4.764 1.00 0.96 C ATOM 1467 C PHE A 88 12.372 -3.580 5.834 1.00 1.09 C ATOM 1468 O PHE A 88 12.065 -3.459 7.020 1.00 1.15 O ATOM 1469 CB PHE A 88 9.897 -3.956 5.321 1.00 0.89 C ATOM 1470 CG PHE A 88 8.816 -4.052 4.267 1.00 0.79 C ATOM 1471 CD1 PHE A 88 8.463 -5.306 3.741 1.00 1.55 C ATOM 1472 CD2 PHE A 88 8.150 -2.898 3.824 1.00 2.07 C ATOM 1473 CE1 PHE A 88 7.446 -5.420 2.775 1.00 1.55 C ATOM 1474 CE2 PHE A 88 7.110 -3.006 2.889 1.00 2.01 C ATOM 1475 CZ PHE A 88 6.762 -4.262 2.357 1.00 0.61 C ATOM 0 H PHE A 88 11.088 -6.023 4.589 1.00 1.00 H new ATOM 0 HA PHE A 88 11.381 -3.195 3.986 1.00 0.96 H new ATOM 0 HB2 PHE A 88 9.788 -4.792 6.012 1.00 0.89 H new ATOM 0 HB3 PHE A 88 9.745 -3.044 5.898 1.00 0.89 H new ATOM 0 HD1 PHE A 88 8.978 -6.192 4.082 1.00 1.55 H new ATOM 0 HD2 PHE A 88 8.438 -1.928 4.203 1.00 2.07 H new ATOM 0 HE1 PHE A 88 7.193 -6.384 2.359 1.00 1.55 H new ATOM 0 HE2 PHE A 88 6.574 -2.122 2.576 1.00 2.01 H new ATOM 0 HZ PHE A 88 5.969 -4.338 1.627 1.00 0.61 H new ATOM 1485 N SER A 89 13.630 -3.418 5.428 1.00 1.13 N ATOM 1486 CA SER A 89 14.785 -3.413 6.349 1.00 1.20 C ATOM 1487 C SER A 89 14.872 -2.147 7.224 1.00 1.22 C ATOM 1488 O SER A 89 15.505 -2.160 8.282 1.00 1.28 O ATOM 1489 CB SER A 89 16.091 -3.575 5.552 1.00 1.26 C ATOM 1490 OG SER A 89 16.054 -4.712 4.694 1.00 1.33 O ATOM 0 H SER A 89 13.887 -3.285 4.450 1.00 1.13 H new ATOM 0 HA SER A 89 14.639 -4.254 7.026 1.00 1.20 H new ATOM 0 HB2 SER A 89 16.267 -2.678 4.958 1.00 1.26 H new ATOM 0 HB3 SER A 89 16.928 -3.669 6.243 1.00 1.26 H new ATOM 0 HG SER A 89 16.900 -4.780 4.204 1.00 1.33 H new ATOM 1496 N GLN A 90 14.200 -1.067 6.809 1.00 1.16 N ATOM 1497 CA GLN A 90 13.972 0.153 7.596 1.00 1.18 C ATOM 1498 C GLN A 90 12.459 0.454 7.736 1.00 1.09 C ATOM 1499 O GLN A 90 12.061 1.604 7.929 1.00 1.07 O ATOM 1500 CB GLN A 90 14.757 1.318 6.958 1.00 1.22 C ATOM 1501 CG GLN A 90 16.281 1.091 6.981 1.00 1.31 C ATOM 1502 CD GLN A 90 17.049 2.328 6.511 1.00 2.25 C ATOM 1503 OE1 GLN A 90 17.542 3.128 7.299 1.00 2.70 O ATOM 1504 NE2 GLN A 90 17.171 2.548 5.217 1.00 3.54 N ATOM 0 H GLN A 90 13.783 -1.016 5.879 1.00 1.16 H new ATOM 0 HA GLN A 90 14.342 0.012 8.612 1.00 1.18 H new ATOM 0 HB2 GLN A 90 14.429 1.450 5.927 1.00 1.22 H new ATOM 0 HB3 GLN A 90 14.523 2.241 7.488 1.00 1.22 H new ATOM 0 HG2 GLN A 90 16.594 0.832 7.992 1.00 1.31 H new ATOM 0 HG3 GLN A 90 16.532 0.244 6.343 1.00 1.31 H new ATOM 0 HE21 GLN A 90 16.767 1.893 4.548 1.00 3.54 H new ATOM 0 HE22 GLN A 90 17.669 3.374 4.885 1.00 3.54 H new ATOM 1513 N GLY A 91 11.599 -0.571 7.603 1.00 1.06 N ATOM 1514 CA GLY A 91 10.133 -0.455 7.686 1.00 0.99 C ATOM 1515 C GLY A 91 9.470 0.098 6.418 1.00 0.90 C ATOM 1516 O GLY A 91 8.300 0.467 6.458 1.00 0.88 O ATOM 0 H GLY A 91 11.912 -1.526 7.431 1.00 1.06 H new ATOM 0 HA2 GLY A 91 9.714 -1.438 7.902 1.00 0.99 H new ATOM 0 HA3 GLY A 91 9.878 0.191 8.526 1.00 0.99 H new ATOM 1520 N HIS A 92 10.205 0.165 5.305 1.00 0.86 N ATOM 1521 CA HIS A 92 9.803 0.772 4.028 1.00 0.76 C ATOM 1522 C HIS A 92 10.333 -0.059 2.836 1.00 0.70 C ATOM 1523 O HIS A 92 11.276 -0.839 3.006 1.00 0.72 O ATOM 1524 CB HIS A 92 10.356 2.209 3.985 1.00 0.86 C ATOM 1525 CG HIS A 92 9.992 2.957 2.726 1.00 0.78 C ATOM 1526 ND1 HIS A 92 8.720 3.287 2.326 1.00 0.70 N ATOM 1527 CD2 HIS A 92 10.833 3.326 1.710 1.00 0.89 C ATOM 1528 CE1 HIS A 92 8.780 3.815 1.097 1.00 0.75 C ATOM 1529 NE2 HIS A 92 10.056 3.875 0.681 1.00 0.86 N ATOM 0 H HIS A 92 11.148 -0.223 5.266 1.00 0.86 H new ATOM 0 HA HIS A 92 8.716 0.791 3.950 1.00 0.76 H new ATOM 0 HB2 HIS A 92 9.980 2.760 4.847 1.00 0.86 H new ATOM 0 HB3 HIS A 92 11.442 2.175 4.077 1.00 0.86 H new ATOM 0 HD1 HIS A 92 7.871 3.152 2.874 1.00 0.70 H new ATOM 0 HD2 HIS A 92 11.907 3.214 1.703 1.00 0.89 H new ATOM 0 HE1 HIS A 92 7.926 4.145 0.523 1.00 0.75 H new ATOM 1537 N LEU A 93 9.758 0.115 1.633 1.00 0.66 N ATOM 1538 CA LEU A 93 10.165 -0.601 0.417 1.00 0.60 C ATOM 1539 C LEU A 93 9.989 0.262 -0.853 1.00 0.53 C ATOM 1540 O LEU A 93 8.995 0.976 -0.997 1.00 0.51 O ATOM 1541 CB LEU A 93 9.364 -1.917 0.354 1.00 0.61 C ATOM 1542 CG LEU A 93 9.936 -2.987 -0.592 1.00 0.73 C ATOM 1543 CD1 LEU A 93 11.229 -3.569 -0.019 1.00 1.01 C ATOM 1544 CD2 LEU A 93 8.947 -4.143 -0.739 1.00 1.50 C ATOM 0 H LEU A 93 8.988 0.766 1.479 1.00 0.66 H new ATOM 0 HA LEU A 93 11.231 -0.826 0.458 1.00 0.60 H new ATOM 0 HB2 LEU A 93 9.306 -2.337 1.358 1.00 0.61 H new ATOM 0 HB3 LEU A 93 8.344 -1.689 0.044 1.00 0.61 H new ATOM 0 HG LEU A 93 10.123 -2.511 -1.555 1.00 0.73 H new ATOM 0 HD11 LEU A 93 11.621 -4.324 -0.700 1.00 1.01 H new ATOM 0 HD12 LEU A 93 11.964 -2.773 0.102 1.00 1.01 H new ATOM 0 HD13 LEU A 93 11.025 -4.025 0.950 1.00 1.01 H new ATOM 0 HD21 LEU A 93 9.363 -4.894 -1.411 1.00 1.50 H new ATOM 0 HD22 LEU A 93 8.763 -4.591 0.237 1.00 1.50 H new ATOM 0 HD23 LEU A 93 8.009 -3.769 -1.149 1.00 1.50 H new ATOM 1556 N MET A 94 10.952 0.184 -1.780 1.00 0.54 N ATOM 1557 CA MET A 94 11.033 1.008 -3.004 1.00 0.52 C ATOM 1558 C MET A 94 11.199 0.161 -4.271 1.00 0.55 C ATOM 1559 O MET A 94 11.892 -0.857 -4.255 1.00 0.64 O ATOM 1560 CB MET A 94 12.239 1.953 -2.910 1.00 0.61 C ATOM 1561 CG MET A 94 12.070 3.015 -1.826 1.00 0.69 C ATOM 1562 SD MET A 94 13.526 4.072 -1.651 1.00 0.73 S ATOM 1563 CE MET A 94 12.703 5.543 -1.001 1.00 0.62 C ATOM 0 H MET A 94 11.726 -0.476 -1.700 1.00 0.54 H new ATOM 0 HA MET A 94 10.096 1.560 -3.074 1.00 0.52 H new ATOM 0 HB2 MET A 94 13.137 1.370 -2.706 1.00 0.61 H new ATOM 0 HB3 MET A 94 12.388 2.442 -3.873 1.00 0.61 H new ATOM 0 HG2 MET A 94 11.204 3.633 -2.061 1.00 0.69 H new ATOM 0 HG3 MET A 94 11.864 2.526 -0.874 1.00 0.69 H new ATOM 0 HE1 MET A 94 13.393 6.386 -1.024 1.00 0.62 H new ATOM 0 HE2 MET A 94 11.830 5.772 -1.613 1.00 0.62 H new ATOM 0 HE3 MET A 94 12.388 5.360 0.026 1.00 0.62 H new ATOM 1573 N TRP A 95 10.606 0.604 -5.385 1.00 0.54 N ATOM 1574 CA TRP A 95 10.651 -0.119 -6.659 1.00 0.54 C ATOM 1575 C TRP A 95 11.821 0.355 -7.530 1.00 0.64 C ATOM 1576 O TRP A 95 11.821 1.468 -8.066 1.00 0.71 O ATOM 1577 CB TRP A 95 9.328 0.027 -7.415 1.00 0.44 C ATOM 1578 CG TRP A 95 8.091 -0.578 -6.814 1.00 0.39 C ATOM 1579 CD1 TRP A 95 7.781 -0.677 -5.499 1.00 0.45 C ATOM 1580 CD2 TRP A 95 6.937 -1.123 -7.528 1.00 0.53 C ATOM 1581 NE1 TRP A 95 6.525 -1.218 -5.350 1.00 0.55 N ATOM 1582 CE2 TRP A 95 5.953 -1.503 -6.568 1.00 0.70 C ATOM 1583 CE3 TRP A 95 6.601 -1.291 -8.892 1.00 0.66 C ATOM 1584 CZ2 TRP A 95 4.705 -2.013 -6.938 1.00 1.04 C ATOM 1585 CZ3 TRP A 95 5.347 -1.804 -9.274 1.00 1.01 C ATOM 1586 CH2 TRP A 95 4.396 -2.162 -8.301 1.00 1.20 C ATOM 0 H TRP A 95 10.080 1.477 -5.428 1.00 0.54 H new ATOM 0 HA TRP A 95 10.806 -1.174 -6.433 1.00 0.54 H new ATOM 0 HB2 TRP A 95 9.142 1.092 -7.556 1.00 0.44 H new ATOM 0 HB3 TRP A 95 9.462 -0.407 -8.406 1.00 0.44 H new ATOM 0 HD1 TRP A 95 8.426 -0.375 -4.687 1.00 0.45 H new ATOM 0 HE1 TRP A 95 6.075 -1.386 -4.450 1.00 0.55 H new ATOM 0 HE3 TRP A 95 7.319 -1.021 -9.653 1.00 0.66 H new ATOM 0 HZ2 TRP A 95 3.984 -2.290 -6.183 1.00 1.04 H new ATOM 0 HZ3 TRP A 95 5.113 -1.924 -10.322 1.00 1.01 H new ATOM 0 HH2 TRP A 95 3.433 -2.549 -8.600 1.00 1.20 H new ATOM 1597 N ASN A 96 12.797 -0.534 -7.699 1.00 0.68 N ATOM 1598 CA ASN A 96 13.998 -0.352 -8.510 1.00 0.72 C ATOM 1599 C ASN A 96 14.309 -1.648 -9.268 1.00 0.63 C ATOM 1600 O ASN A 96 14.031 -2.740 -8.772 1.00 0.62 O ATOM 1601 CB ASN A 96 15.174 0.028 -7.597 1.00 0.87 C ATOM 1602 CG ASN A 96 14.952 1.363 -6.893 1.00 1.36 C ATOM 1603 OD1 ASN A 96 14.826 2.406 -7.523 1.00 1.96 O ATOM 1604 ND2 ASN A 96 14.873 1.373 -5.574 1.00 2.51 N ATOM 0 H ASN A 96 12.770 -1.449 -7.250 1.00 0.68 H new ATOM 0 HA ASN A 96 13.837 0.447 -9.234 1.00 0.72 H new ATOM 0 HB2 ASN A 96 15.320 -0.754 -6.851 1.00 0.87 H new ATOM 0 HB3 ASN A 96 16.088 0.079 -8.188 1.00 0.87 H new ATOM 0 HD21 ASN A 96 14.707 2.250 -5.080 1.00 2.51 H new ATOM 0 HD22 ASN A 96 14.978 0.504 -5.050 1.00 2.51 H new ATOM 1611 N ASP A 97 14.923 -1.531 -10.446 1.00 0.65 N ATOM 1612 CA ASP A 97 15.297 -2.658 -11.311 1.00 0.61 C ATOM 1613 C ASP A 97 16.201 -3.679 -10.596 1.00 0.64 C ATOM 1614 O ASP A 97 16.123 -4.876 -10.859 1.00 0.61 O ATOM 1615 CB ASP A 97 16.032 -2.098 -12.537 1.00 0.66 C ATOM 1616 CG ASP A 97 15.139 -1.208 -13.413 1.00 1.30 C ATOM 1617 OD1 ASP A 97 14.895 -0.038 -13.030 1.00 2.23 O ATOM 1618 OD2 ASP A 97 14.701 -1.684 -14.488 1.00 2.55 O ATOM 0 H ASP A 97 15.182 -0.626 -10.838 1.00 0.65 H new ATOM 0 HA ASP A 97 14.386 -3.184 -11.597 1.00 0.61 H new ATOM 0 HB2 ASP A 97 16.896 -1.522 -12.205 1.00 0.66 H new ATOM 0 HB3 ASP A 97 16.411 -2.926 -13.136 1.00 0.66 H new ATOM 1623 N ASP A 98 17.032 -3.195 -9.669 1.00 0.76 N ATOM 1624 CA ASP A 98 17.894 -3.978 -8.781 1.00 0.89 C ATOM 1625 C ASP A 98 17.102 -4.813 -7.756 1.00 0.85 C ATOM 1626 O ASP A 98 17.365 -6.004 -7.588 1.00 0.94 O ATOM 1627 CB ASP A 98 18.807 -2.999 -8.032 1.00 1.04 C ATOM 1628 CG ASP A 98 19.756 -2.245 -8.976 1.00 2.05 C ATOM 1629 OD1 ASP A 98 20.781 -2.834 -9.395 1.00 2.85 O ATOM 1630 OD2 ASP A 98 19.475 -1.063 -9.287 1.00 3.25 O ATOM 0 H ASP A 98 17.126 -2.192 -9.510 1.00 0.76 H new ATOM 0 HA ASP A 98 18.460 -4.682 -9.391 1.00 0.89 H new ATOM 0 HB2 ASP A 98 18.195 -2.281 -7.486 1.00 1.04 H new ATOM 0 HB3 ASP A 98 19.393 -3.545 -7.293 1.00 1.04 H new ATOM 1635 N LEU A 99 16.099 -4.219 -7.096 1.00 0.76 N ATOM 1636 CA LEU A 99 15.248 -4.904 -6.111 1.00 0.79 C ATOM 1637 C LEU A 99 14.320 -5.930 -6.781 1.00 0.70 C ATOM 1638 O LEU A 99 14.000 -6.964 -6.194 1.00 0.78 O ATOM 1639 CB LEU A 99 14.497 -3.835 -5.294 1.00 0.85 C ATOM 1640 CG LEU A 99 13.748 -4.422 -4.075 1.00 0.84 C ATOM 1641 CD1 LEU A 99 13.948 -3.531 -2.841 1.00 2.51 C ATOM 1642 CD2 LEU A 99 12.247 -4.588 -4.355 1.00 1.86 C ATOM 0 H LEU A 99 15.852 -3.239 -7.232 1.00 0.76 H new ATOM 0 HA LEU A 99 15.859 -5.491 -5.425 1.00 0.79 H new ATOM 0 HB2 LEU A 99 15.207 -3.083 -4.950 1.00 0.85 H new ATOM 0 HB3 LEU A 99 13.783 -3.326 -5.941 1.00 0.85 H new ATOM 0 HG LEU A 99 14.168 -5.409 -3.882 1.00 0.84 H new ATOM 0 HD11 LEU A 99 13.414 -3.959 -1.993 1.00 2.51 H new ATOM 0 HD12 LEU A 99 15.011 -3.468 -2.606 1.00 2.51 H new ATOM 0 HD13 LEU A 99 13.562 -2.533 -3.047 1.00 2.51 H new ATOM 0 HD21 LEU A 99 11.756 -5.003 -3.475 1.00 1.86 H new ATOM 0 HD22 LEU A 99 11.811 -3.617 -4.590 1.00 1.86 H new ATOM 0 HD23 LEU A 99 12.107 -5.262 -5.200 1.00 1.86 H new ATOM 1654 N PHE A 100 13.955 -5.670 -8.037 1.00 0.62 N ATOM 1655 CA PHE A 100 13.184 -6.553 -8.908 1.00 0.59 C ATOM 1656 C PHE A 100 14.089 -7.433 -9.807 1.00 0.58 C ATOM 1657 O PHE A 100 13.601 -8.073 -10.735 1.00 0.53 O ATOM 1658 CB PHE A 100 12.195 -5.692 -9.713 1.00 0.59 C ATOM 1659 CG PHE A 100 10.972 -5.227 -8.933 1.00 0.57 C ATOM 1660 CD1 PHE A 100 11.099 -4.316 -7.864 1.00 2.44 C ATOM 1661 CD2 PHE A 100 9.691 -5.711 -9.270 1.00 1.97 C ATOM 1662 CE1 PHE A 100 9.964 -3.904 -7.142 1.00 2.48 C ATOM 1663 CE2 PHE A 100 8.554 -5.259 -8.578 1.00 1.97 C ATOM 1664 CZ PHE A 100 8.689 -4.363 -7.507 1.00 0.73 C ATOM 0 H PHE A 100 14.202 -4.793 -8.496 1.00 0.62 H new ATOM 0 HA PHE A 100 12.624 -7.265 -8.303 1.00 0.59 H new ATOM 0 HB2 PHE A 100 12.722 -4.816 -10.091 1.00 0.59 H new ATOM 0 HB3 PHE A 100 11.861 -6.262 -10.580 1.00 0.59 H new ATOM 0 HD1 PHE A 100 12.073 -3.932 -7.598 1.00 2.44 H new ATOM 0 HD2 PHE A 100 9.583 -6.434 -10.065 1.00 1.97 H new ATOM 0 HE1 PHE A 100 10.074 -3.232 -6.304 1.00 2.48 H new ATOM 0 HE2 PHE A 100 7.573 -5.603 -8.872 1.00 1.97 H new ATOM 0 HZ PHE A 100 7.816 -4.028 -6.966 1.00 0.73 H new ATOM 1674 N SER A 101 15.403 -7.498 -9.556 1.00 0.69 N ATOM 1675 CA SER A 101 16.360 -8.225 -10.416 1.00 0.78 C ATOM 1676 C SER A 101 16.192 -9.758 -10.361 1.00 0.84 C ATOM 1677 O SER A 101 16.600 -10.456 -11.291 1.00 0.95 O ATOM 1678 CB SER A 101 17.796 -7.825 -10.046 1.00 0.93 C ATOM 1679 OG SER A 101 18.768 -8.378 -10.927 1.00 1.08 O ATOM 0 H SER A 101 15.838 -7.049 -8.750 1.00 0.69 H new ATOM 0 HA SER A 101 16.146 -7.936 -11.445 1.00 0.78 H new ATOM 0 HB2 SER A 101 17.880 -6.738 -10.057 1.00 0.93 H new ATOM 0 HB3 SER A 101 18.008 -8.151 -9.028 1.00 0.93 H new ATOM 0 HG SER A 101 19.663 -8.092 -10.648 1.00 1.08 H new ATOM 1685 N GLU A 102 15.556 -10.293 -9.312 1.00 0.83 N ATOM 1686 CA GLU A 102 14.999 -11.654 -9.310 1.00 0.89 C ATOM 1687 C GLU A 102 13.565 -11.658 -9.870 1.00 0.81 C ATOM 1688 O GLU A 102 13.237 -12.469 -10.739 1.00 0.89 O ATOM 1689 CB GLU A 102 15.016 -12.239 -7.889 1.00 0.98 C ATOM 1690 CG GLU A 102 16.440 -12.574 -7.427 1.00 2.40 C ATOM 1691 CD GLU A 102 16.437 -13.175 -6.013 1.00 2.56 C ATOM 1692 OE1 GLU A 102 16.211 -14.400 -5.868 1.00 2.53 O ATOM 1693 OE2 GLU A 102 16.670 -12.427 -5.032 1.00 3.52 O ATOM 0 H GLU A 102 15.412 -9.792 -8.435 1.00 0.83 H new ATOM 0 HA GLU A 102 15.621 -12.277 -9.953 1.00 0.89 H new ATOM 0 HB2 GLU A 102 14.568 -11.526 -7.197 1.00 0.98 H new ATOM 0 HB3 GLU A 102 14.403 -13.140 -7.860 1.00 0.98 H new ATOM 0 HG2 GLU A 102 16.895 -13.278 -8.124 1.00 2.40 H new ATOM 0 HG3 GLU A 102 17.052 -11.672 -7.441 1.00 2.40 H new ATOM 1700 N ALA A 103 12.716 -10.722 -9.427 1.00 0.67 N ATOM 1701 CA ALA A 103 11.321 -10.556 -9.853 1.00 0.62 C ATOM 1702 C ALA A 103 11.174 -9.906 -11.251 1.00 0.56 C ATOM 1703 O ALA A 103 10.335 -9.033 -11.472 1.00 0.57 O ATOM 1704 CB ALA A 103 10.567 -9.820 -8.733 1.00 0.60 C ATOM 0 H ALA A 103 12.995 -10.030 -8.732 1.00 0.67 H new ATOM 0 HA ALA A 103 10.866 -11.536 -9.998 1.00 0.62 H new ATOM 0 HB1 ALA A 103 9.526 -9.683 -9.024 1.00 0.60 H new ATOM 0 HB2 ALA A 103 10.613 -10.408 -7.816 1.00 0.60 H new ATOM 0 HB3 ALA A 103 11.027 -8.847 -8.563 1.00 0.60 H new ATOM 1710 N GLN A 104 11.975 -10.353 -12.218 1.00 0.52 N ATOM 1711 CA GLN A 104 11.925 -9.912 -13.615 1.00 0.48 C ATOM 1712 C GLN A 104 10.577 -10.186 -14.318 1.00 0.45 C ATOM 1713 O GLN A 104 10.116 -9.279 -15.017 1.00 0.43 O ATOM 1714 CB GLN A 104 13.078 -10.547 -14.410 1.00 0.52 C ATOM 1715 CG GLN A 104 14.460 -10.071 -13.936 1.00 0.64 C ATOM 1716 CD GLN A 104 15.606 -10.724 -14.717 1.00 0.72 C ATOM 1717 OE1 GLN A 104 15.572 -10.880 -15.933 1.00 0.79 O ATOM 1718 NE2 GLN A 104 16.664 -11.141 -14.054 1.00 1.09 N ATOM 0 H GLN A 104 12.698 -11.052 -12.048 1.00 0.52 H new ATOM 0 HA GLN A 104 12.033 -8.828 -13.592 1.00 0.48 H new ATOM 0 HB2 GLN A 104 13.022 -11.632 -14.320 1.00 0.52 H new ATOM 0 HB3 GLN A 104 12.959 -10.309 -15.467 1.00 0.52 H new ATOM 0 HG2 GLN A 104 14.524 -8.988 -14.042 1.00 0.64 H new ATOM 0 HG3 GLN A 104 14.574 -10.295 -12.875 1.00 0.64 H new ATOM 0 HE21 GLN A 104 16.712 -11.021 -13.042 1.00 1.09 H new ATOM 0 HE22 GLN A 104 17.436 -11.584 -14.552 1.00 1.09 H new ATOM 1727 N PRO A 105 9.905 -11.353 -14.154 1.00 0.50 N ATOM 1728 CA PRO A 105 8.625 -11.601 -14.819 1.00 0.53 C ATOM 1729 C PRO A 105 7.460 -10.837 -14.168 1.00 0.50 C ATOM 1730 O PRO A 105 6.410 -10.689 -14.793 1.00 0.53 O ATOM 1731 CB PRO A 105 8.438 -13.121 -14.794 1.00 0.63 C ATOM 1732 CG PRO A 105 9.205 -13.579 -13.556 1.00 0.66 C ATOM 1733 CD PRO A 105 10.310 -12.537 -13.394 1.00 0.58 C ATOM 0 HA PRO A 105 8.631 -11.227 -15.843 1.00 0.53 H new ATOM 0 HB2 PRO A 105 7.384 -13.390 -14.730 1.00 0.63 H new ATOM 0 HB3 PRO A 105 8.831 -13.584 -15.699 1.00 0.63 H new ATOM 0 HG2 PRO A 105 8.560 -13.615 -12.678 1.00 0.66 H new ATOM 0 HG3 PRO A 105 9.617 -14.579 -13.690 1.00 0.66 H new ATOM 0 HD2 PRO A 105 10.453 -12.289 -12.342 1.00 0.58 H new ATOM 0 HD3 PRO A 105 11.260 -12.924 -13.762 1.00 0.58 H new ATOM 1741 N LEU A 106 7.655 -10.303 -12.954 1.00 0.50 N ATOM 1742 CA LEU A 106 6.758 -9.339 -12.318 1.00 0.49 C ATOM 1743 C LEU A 106 6.995 -7.946 -12.897 1.00 0.41 C ATOM 1744 O LEU A 106 6.055 -7.311 -13.369 1.00 0.41 O ATOM 1745 CB LEU A 106 7.017 -9.393 -10.801 1.00 0.58 C ATOM 1746 CG LEU A 106 6.092 -8.532 -9.928 1.00 0.55 C ATOM 1747 CD1 LEU A 106 4.731 -9.215 -9.742 1.00 1.35 C ATOM 1748 CD2 LEU A 106 6.744 -8.334 -8.551 1.00 1.29 C ATOM 0 H LEU A 106 8.462 -10.538 -12.376 1.00 0.50 H new ATOM 0 HA LEU A 106 5.713 -9.582 -12.509 1.00 0.49 H new ATOM 0 HB2 LEU A 106 6.931 -10.429 -10.475 1.00 0.58 H new ATOM 0 HB3 LEU A 106 8.047 -9.086 -10.617 1.00 0.58 H new ATOM 0 HG LEU A 106 5.939 -7.571 -10.420 1.00 0.55 H new ATOM 0 HD11 LEU A 106 4.091 -8.588 -9.121 1.00 1.35 H new ATOM 0 HD12 LEU A 106 4.261 -9.361 -10.715 1.00 1.35 H new ATOM 0 HD13 LEU A 106 4.872 -10.182 -9.258 1.00 1.35 H new ATOM 0 HD21 LEU A 106 6.093 -7.723 -7.925 1.00 1.29 H new ATOM 0 HD22 LEU A 106 6.897 -9.304 -8.078 1.00 1.29 H new ATOM 0 HD23 LEU A 106 7.705 -7.834 -8.672 1.00 1.29 H new ATOM 1760 N TRP A 107 8.249 -7.492 -12.911 1.00 0.40 N ATOM 1761 CA TRP A 107 8.634 -6.167 -13.388 1.00 0.38 C ATOM 1762 C TRP A 107 8.281 -5.971 -14.867 1.00 0.40 C ATOM 1763 O TRP A 107 7.716 -4.943 -15.223 1.00 0.40 O ATOM 1764 CB TRP A 107 10.132 -5.967 -13.126 1.00 0.47 C ATOM 1765 CG TRP A 107 10.770 -4.686 -13.586 1.00 0.54 C ATOM 1766 CD1 TRP A 107 12.084 -4.568 -13.886 1.00 0.71 C ATOM 1767 CD2 TRP A 107 10.194 -3.351 -13.816 1.00 0.93 C ATOM 1768 NE1 TRP A 107 12.350 -3.294 -14.338 1.00 1.05 N ATOM 1769 CE2 TRP A 107 11.213 -2.523 -14.380 1.00 1.18 C ATOM 1770 CE3 TRP A 107 8.929 -2.742 -13.629 1.00 1.32 C ATOM 1771 CZ2 TRP A 107 10.970 -1.217 -14.828 1.00 1.66 C ATOM 1772 CZ3 TRP A 107 8.674 -1.430 -14.067 1.00 1.76 C ATOM 1773 CH2 TRP A 107 9.682 -0.679 -14.695 1.00 1.91 C ATOM 0 H TRP A 107 9.040 -8.048 -12.584 1.00 0.40 H new ATOM 0 HA TRP A 107 8.071 -5.409 -12.843 1.00 0.38 H new ATOM 0 HB2 TRP A 107 10.296 -6.054 -12.052 1.00 0.47 H new ATOM 0 HB3 TRP A 107 10.665 -6.792 -13.598 1.00 0.47 H new ATOM 0 HD1 TRP A 107 12.816 -5.356 -13.786 1.00 0.71 H new ATOM 0 HE1 TRP A 107 13.276 -2.964 -14.608 1.00 1.05 H new ATOM 0 HE3 TRP A 107 8.143 -3.297 -13.139 1.00 1.32 H new ATOM 0 HZ2 TRP A 107 11.764 -0.633 -15.270 1.00 1.66 H new ATOM 0 HZ3 TRP A 107 7.696 -0.996 -13.920 1.00 1.76 H new ATOM 0 HH2 TRP A 107 9.465 0.309 -15.074 1.00 1.91 H new ATOM 1784 N GLU A 108 8.534 -6.962 -15.726 1.00 0.44 N ATOM 1785 CA GLU A 108 8.262 -6.836 -17.160 1.00 0.49 C ATOM 1786 C GLU A 108 6.754 -6.756 -17.445 1.00 0.46 C ATOM 1787 O GLU A 108 6.305 -5.937 -18.249 1.00 0.49 O ATOM 1788 CB GLU A 108 8.926 -8.009 -17.905 1.00 0.58 C ATOM 1789 CG GLU A 108 8.891 -7.908 -19.438 1.00 0.76 C ATOM 1790 CD GLU A 108 9.874 -6.880 -20.007 1.00 1.85 C ATOM 1791 OE1 GLU A 108 10.106 -5.826 -19.377 1.00 3.53 O ATOM 1792 OE2 GLU A 108 10.433 -7.121 -21.103 1.00 2.20 O ATOM 0 H GLU A 108 8.928 -7.862 -15.452 1.00 0.44 H new ATOM 0 HA GLU A 108 8.690 -5.902 -17.524 1.00 0.49 H new ATOM 0 HB2 GLU A 108 9.965 -8.082 -17.584 1.00 0.58 H new ATOM 0 HB3 GLU A 108 8.435 -8.935 -17.606 1.00 0.58 H new ATOM 0 HG2 GLU A 108 9.114 -8.886 -19.864 1.00 0.76 H new ATOM 0 HG3 GLU A 108 7.881 -7.646 -19.754 1.00 0.76 H new ATOM 1799 N ALA A 109 5.957 -7.569 -16.748 1.00 0.45 N ATOM 1800 CA ALA A 109 4.501 -7.500 -16.799 1.00 0.46 C ATOM 1801 C ALA A 109 3.948 -6.169 -16.267 1.00 0.42 C ATOM 1802 O ALA A 109 3.102 -5.544 -16.906 1.00 0.44 O ATOM 1803 CB ALA A 109 3.970 -8.720 -16.066 1.00 0.50 C ATOM 0 H ALA A 109 6.310 -8.298 -16.128 1.00 0.45 H new ATOM 0 HA ALA A 109 4.155 -7.519 -17.833 1.00 0.46 H new ATOM 0 HB1 ALA A 109 2.880 -8.707 -16.081 1.00 0.50 H new ATOM 0 HB2 ALA A 109 4.329 -9.624 -16.557 1.00 0.50 H new ATOM 0 HB3 ALA A 109 4.319 -8.705 -15.034 1.00 0.50 H new ATOM 1809 N ALA A 110 4.443 -5.702 -15.123 1.00 0.39 N ATOM 1810 CA ALA A 110 4.039 -4.442 -14.508 1.00 0.39 C ATOM 1811 C ALA A 110 4.370 -3.233 -15.403 1.00 0.40 C ATOM 1812 O ALA A 110 3.510 -2.387 -15.653 1.00 0.44 O ATOM 1813 CB ALA A 110 4.751 -4.387 -13.149 1.00 0.41 C ATOM 0 H ALA A 110 5.152 -6.201 -14.586 1.00 0.39 H new ATOM 0 HA ALA A 110 2.958 -4.394 -14.375 1.00 0.39 H new ATOM 0 HB1 ALA A 110 4.487 -3.461 -12.637 1.00 0.41 H new ATOM 0 HB2 ALA A 110 4.442 -5.238 -12.542 1.00 0.41 H new ATOM 0 HB3 ALA A 110 5.830 -4.422 -13.302 1.00 0.41 H new ATOM 1819 N ARG A 111 5.583 -3.215 -15.967 1.00 0.42 N ATOM 1820 CA ARG A 111 6.060 -2.254 -16.967 1.00 0.47 C ATOM 1821 C ARG A 111 5.123 -2.198 -18.180 1.00 0.47 C ATOM 1822 O ARG A 111 4.761 -1.107 -18.624 1.00 0.51 O ATOM 1823 CB ARG A 111 7.484 -2.677 -17.376 1.00 0.59 C ATOM 1824 CG ARG A 111 8.078 -1.925 -18.576 1.00 0.92 C ATOM 1825 CD ARG A 111 9.434 -2.535 -18.946 1.00 1.36 C ATOM 1826 NE ARG A 111 9.950 -1.980 -20.214 1.00 2.37 N ATOM 1827 CZ ARG A 111 10.710 -2.617 -21.102 1.00 3.03 C ATOM 1828 NH1 ARG A 111 11.091 -3.863 -20.940 1.00 3.18 N ATOM 1829 NH2 ARG A 111 11.107 -2.010 -22.202 1.00 4.15 N ATOM 0 H ARG A 111 6.294 -3.905 -15.726 1.00 0.42 H new ATOM 0 HA ARG A 111 6.073 -1.249 -16.546 1.00 0.47 H new ATOM 0 HB2 ARG A 111 8.145 -2.540 -16.520 1.00 0.59 H new ATOM 0 HB3 ARG A 111 7.476 -3.743 -17.605 1.00 0.59 H new ATOM 0 HG2 ARG A 111 7.398 -1.982 -19.426 1.00 0.92 H new ATOM 0 HG3 ARG A 111 8.197 -0.869 -18.333 1.00 0.92 H new ATOM 0 HD2 ARG A 111 10.150 -2.345 -18.146 1.00 1.36 H new ATOM 0 HD3 ARG A 111 9.335 -3.617 -19.035 1.00 1.36 H new ATOM 0 HE ARG A 111 9.700 -1.015 -20.430 1.00 2.37 H new ATOM 0 HH11 ARG A 111 10.804 -4.380 -20.109 1.00 3.18 H new ATOM 0 HH12 ARG A 111 11.674 -4.314 -21.645 1.00 3.18 H new ATOM 0 HH21 ARG A 111 10.832 -1.044 -22.379 1.00 4.15 H new ATOM 0 HH22 ARG A 111 11.689 -2.506 -22.877 1.00 4.15 H new ATOM 1843 N ALA A 112 4.697 -3.357 -18.691 1.00 0.46 N ATOM 1844 CA ALA A 112 3.791 -3.463 -19.837 1.00 0.48 C ATOM 1845 C ALA A 112 2.397 -2.895 -19.517 1.00 0.48 C ATOM 1846 O ALA A 112 1.806 -2.181 -20.330 1.00 0.51 O ATOM 1847 CB ALA A 112 3.717 -4.941 -20.244 1.00 0.49 C ATOM 0 H ALA A 112 4.977 -4.262 -18.313 1.00 0.46 H new ATOM 0 HA ALA A 112 4.174 -2.867 -20.665 1.00 0.48 H new ATOM 0 HB1 ALA A 112 3.048 -5.050 -21.097 1.00 0.49 H new ATOM 0 HB2 ALA A 112 4.712 -5.294 -20.516 1.00 0.49 H new ATOM 0 HB3 ALA A 112 3.339 -5.530 -19.408 1.00 0.49 H new ATOM 1853 N HIS A 113 1.877 -3.199 -18.332 1.00 0.45 N ATOM 1854 CA HIS A 113 0.589 -2.700 -17.833 1.00 0.47 C ATOM 1855 C HIS A 113 0.579 -1.211 -17.418 1.00 0.50 C ATOM 1856 O HIS A 113 -0.504 -0.654 -17.218 1.00 0.53 O ATOM 1857 CB HIS A 113 0.091 -3.650 -16.732 1.00 0.45 C ATOM 1858 CG HIS A 113 -0.346 -4.981 -17.302 1.00 0.46 C ATOM 1859 ND1 HIS A 113 0.407 -6.130 -17.366 1.00 0.47 N ATOM 1860 CD2 HIS A 113 -1.553 -5.267 -17.884 1.00 0.50 C ATOM 1861 CE1 HIS A 113 -0.323 -7.083 -17.965 1.00 0.49 C ATOM 1862 NE2 HIS A 113 -1.533 -6.603 -18.306 1.00 0.51 N ATOM 0 H HIS A 113 2.348 -3.816 -17.670 1.00 0.45 H new ATOM 0 HA HIS A 113 -0.116 -2.707 -18.665 1.00 0.47 H new ATOM 0 HB2 HIS A 113 0.884 -3.809 -16.001 1.00 0.45 H new ATOM 0 HB3 HIS A 113 -0.743 -3.189 -16.202 1.00 0.45 H new ATOM 0 HD1 HIS A 113 1.359 -6.239 -17.017 1.00 0.47 H new ATOM 0 HD2 HIS A 113 -2.379 -4.580 -17.998 1.00 0.50 H new ATOM 0 HE1 HIS A 113 0.013 -8.093 -18.148 1.00 0.49 H new ATOM 1870 N GLY A 114 1.746 -0.558 -17.320 1.00 0.50 N ATOM 1871 CA GLY A 114 1.885 0.887 -17.056 1.00 0.53 C ATOM 1872 C GLY A 114 2.384 1.249 -15.654 1.00 0.50 C ATOM 1873 O GLY A 114 2.559 2.433 -15.369 1.00 0.55 O ATOM 0 H GLY A 114 2.644 -1.030 -17.424 1.00 0.50 H new ATOM 0 HA2 GLY A 114 2.572 1.309 -17.789 1.00 0.53 H new ATOM 0 HA3 GLY A 114 0.918 1.364 -17.214 1.00 0.53 H new ATOM 1877 N LEU A 115 2.645 0.261 -14.795 1.00 0.47 N ATOM 1878 CA LEU A 115 3.111 0.408 -13.411 1.00 0.47 C ATOM 1879 C LEU A 115 4.632 0.676 -13.383 1.00 0.57 C ATOM 1880 O LEU A 115 5.419 -0.094 -12.829 1.00 1.04 O ATOM 1881 CB LEU A 115 2.721 -0.854 -12.615 1.00 0.46 C ATOM 1882 CG LEU A 115 1.217 -1.098 -12.368 1.00 0.47 C ATOM 1883 CD1 LEU A 115 0.387 -1.417 -13.624 1.00 0.83 C ATOM 1884 CD2 LEU A 115 1.096 -2.290 -11.412 1.00 0.97 C ATOM 0 H LEU A 115 2.531 -0.718 -15.059 1.00 0.47 H new ATOM 0 HA LEU A 115 2.633 1.267 -12.940 1.00 0.47 H new ATOM 0 HB2 LEU A 115 3.122 -1.721 -13.140 1.00 0.46 H new ATOM 0 HB3 LEU A 115 3.219 -0.809 -11.646 1.00 0.46 H new ATOM 0 HG LEU A 115 0.816 -0.166 -11.971 1.00 0.47 H new ATOM 0 HD11 LEU A 115 -0.655 -1.571 -13.342 1.00 0.83 H new ATOM 0 HD12 LEU A 115 0.454 -0.585 -14.325 1.00 0.83 H new ATOM 0 HD13 LEU A 115 0.773 -2.321 -14.095 1.00 0.83 H new ATOM 0 HD21 LEU A 115 0.043 -2.492 -11.214 1.00 0.97 H new ATOM 0 HD22 LEU A 115 1.555 -3.168 -11.866 1.00 0.97 H new ATOM 0 HD23 LEU A 115 1.603 -2.058 -10.476 1.00 0.97 H new ATOM 1896 N ARG A 116 5.055 1.745 -14.063 1.00 0.49 N ATOM 1897 CA ARG A 116 6.443 1.987 -14.487 1.00 0.49 C ATOM 1898 C ARG A 116 7.437 2.254 -13.344 1.00 0.47 C ATOM 1899 O ARG A 116 8.634 2.072 -13.545 1.00 0.62 O ATOM 1900 CB ARG A 116 6.465 3.099 -15.532 1.00 0.66 C ATOM 1901 CG ARG A 116 5.667 2.633 -16.764 1.00 0.95 C ATOM 1902 CD ARG A 116 6.286 3.131 -18.060 1.00 1.21 C ATOM 1903 NE ARG A 116 5.951 4.544 -18.287 1.00 1.88 N ATOM 1904 CZ ARG A 116 5.959 5.213 -19.430 1.00 2.58 C ATOM 1905 NH1 ARG A 116 6.372 4.681 -20.563 1.00 3.14 N ATOM 1906 NH2 ARG A 116 5.539 6.458 -19.418 1.00 3.41 N ATOM 0 H ARG A 116 4.422 2.493 -14.345 1.00 0.49 H new ATOM 0 HA ARG A 116 6.800 1.055 -14.925 1.00 0.49 H new ATOM 0 HB2 ARG A 116 6.030 4.011 -15.123 1.00 0.66 H new ATOM 0 HB3 ARG A 116 7.492 3.333 -15.813 1.00 0.66 H new ATOM 0 HG2 ARG A 116 5.623 1.544 -16.778 1.00 0.95 H new ATOM 0 HG3 ARG A 116 4.641 2.993 -16.690 1.00 0.95 H new ATOM 0 HD2 ARG A 116 7.369 3.011 -18.021 1.00 1.21 H new ATOM 0 HD3 ARG A 116 5.928 2.529 -18.895 1.00 1.21 H new ATOM 0 HE ARG A 116 5.678 5.076 -17.461 1.00 1.88 H new ATOM 0 HH11 ARG A 116 6.703 3.716 -20.583 1.00 3.14 H new ATOM 0 HH12 ARG A 116 6.361 5.234 -21.420 1.00 3.14 H new ATOM 0 HH21 ARG A 116 5.220 6.880 -18.546 1.00 3.41 H new ATOM 0 HH22 ARG A 116 5.532 7.002 -20.281 1.00 3.41 H new ATOM 1920 N ARG A 117 6.951 2.632 -12.158 1.00 0.45 N ATOM 1921 CA ARG A 117 7.607 2.532 -10.839 1.00 0.40 C ATOM 1922 C ARG A 117 6.511 2.364 -9.771 1.00 0.53 C ATOM 1923 O ARG A 117 5.317 2.434 -10.073 1.00 0.76 O ATOM 1924 CB ARG A 117 8.514 3.749 -10.516 1.00 0.51 C ATOM 1925 CG ARG A 117 9.723 4.001 -11.433 1.00 0.58 C ATOM 1926 CD ARG A 117 10.722 2.841 -11.576 1.00 0.49 C ATOM 1927 NE ARG A 117 11.870 2.961 -10.657 1.00 0.90 N ATOM 1928 CZ ARG A 117 13.078 3.414 -10.979 1.00 1.42 C ATOM 1929 NH1 ARG A 117 13.344 3.967 -12.148 1.00 2.32 N ATOM 1930 NH2 ARG A 117 14.060 3.317 -10.109 1.00 1.78 N ATOM 0 H ARG A 117 6.022 3.047 -12.083 1.00 0.45 H new ATOM 0 HA ARG A 117 8.272 1.668 -10.849 1.00 0.40 H new ATOM 0 HB2 ARG A 117 7.892 4.644 -10.527 1.00 0.51 H new ATOM 0 HB3 ARG A 117 8.884 3.631 -9.498 1.00 0.51 H new ATOM 0 HG2 ARG A 117 9.352 4.258 -12.425 1.00 0.58 H new ATOM 0 HG3 ARG A 117 10.261 4.872 -11.059 1.00 0.58 H new ATOM 0 HD2 ARG A 117 10.208 1.899 -11.387 1.00 0.49 H new ATOM 0 HD3 ARG A 117 11.086 2.805 -12.603 1.00 0.49 H new ATOM 0 HE ARG A 117 11.724 2.671 -9.690 1.00 0.90 H new ATOM 0 HH11 ARG A 117 12.607 4.061 -12.847 1.00 2.32 H new ATOM 0 HH12 ARG A 117 14.286 4.301 -12.352 1.00 2.32 H new ATOM 0 HH21 ARG A 117 13.892 2.897 -9.195 1.00 1.78 H new ATOM 0 HH22 ARG A 117 14.989 3.662 -10.348 1.00 1.78 H new ATOM 1944 N GLY A 118 6.906 2.170 -8.515 1.00 0.48 N ATOM 1945 CA GLY A 118 5.999 2.170 -7.365 1.00 0.53 C ATOM 1946 C GLY A 118 6.658 2.533 -6.036 1.00 0.44 C ATOM 1947 O GLY A 118 7.854 2.820 -5.972 1.00 0.44 O ATOM 0 H GLY A 118 7.880 2.006 -8.261 1.00 0.48 H new ATOM 0 HA2 GLY A 118 5.189 2.873 -7.558 1.00 0.53 H new ATOM 0 HA3 GLY A 118 5.548 1.182 -7.274 1.00 0.53 H new ATOM 1951 N VAL A 119 5.835 2.577 -4.993 1.00 0.46 N ATOM 1952 CA VAL A 119 6.167 3.053 -3.639 1.00 0.39 C ATOM 1953 C VAL A 119 5.286 2.295 -2.634 1.00 0.34 C ATOM 1954 O VAL A 119 4.088 2.150 -2.874 1.00 0.39 O ATOM 1955 CB VAL A 119 6.070 4.609 -3.505 1.00 0.54 C ATOM 1956 CG1 VAL A 119 5.779 5.394 -4.803 1.00 1.47 C ATOM 1957 CG2 VAL A 119 5.068 5.112 -2.463 1.00 1.19 C ATOM 0 H VAL A 119 4.866 2.267 -5.065 1.00 0.46 H new ATOM 0 HA VAL A 119 7.213 2.837 -3.421 1.00 0.39 H new ATOM 0 HB VAL A 119 7.091 4.815 -3.184 1.00 0.54 H new ATOM 0 HG11 VAL A 119 5.736 6.460 -4.581 1.00 1.47 H new ATOM 0 HG12 VAL A 119 6.572 5.206 -5.527 1.00 1.47 H new ATOM 0 HG13 VAL A 119 4.824 5.070 -5.218 1.00 1.47 H new ATOM 0 HG21 VAL A 119 5.076 6.202 -2.447 1.00 1.19 H new ATOM 0 HG22 VAL A 119 4.069 4.760 -2.719 1.00 1.19 H new ATOM 0 HG23 VAL A 119 5.345 4.733 -1.479 1.00 1.19 H new ATOM 1967 N THR A 120 5.863 1.785 -1.538 1.00 0.34 N ATOM 1968 CA THR A 120 5.259 0.700 -0.745 1.00 0.31 C ATOM 1969 C THR A 120 5.470 0.896 0.757 1.00 0.36 C ATOM 1970 O THR A 120 6.535 1.336 1.192 1.00 0.43 O ATOM 1971 CB THR A 120 5.895 -0.614 -1.219 1.00 0.30 C ATOM 1972 OG1 THR A 120 5.541 -0.872 -2.560 1.00 0.34 O ATOM 1973 CG2 THR A 120 5.543 -1.846 -0.394 1.00 0.39 C ATOM 0 H THR A 120 6.759 2.110 -1.175 1.00 0.34 H new ATOM 0 HA THR A 120 4.180 0.691 -0.897 1.00 0.31 H new ATOM 0 HB THR A 120 6.966 -0.452 -1.099 1.00 0.30 H new ATOM 0 HG1 THR A 120 5.206 -1.790 -2.639 1.00 0.34 H new ATOM 0 HG21 THR A 120 6.043 -2.719 -0.813 1.00 0.39 H new ATOM 0 HG22 THR A 120 5.869 -1.700 0.636 1.00 0.39 H new ATOM 0 HG23 THR A 120 4.464 -2.001 -0.414 1.00 0.39 H new ATOM 1981 N GLN A 121 4.475 0.508 1.559 1.00 0.36 N ATOM 1982 CA GLN A 121 4.558 0.493 3.021 1.00 0.39 C ATOM 1983 C GLN A 121 3.953 -0.760 3.672 1.00 0.45 C ATOM 1984 O GLN A 121 3.003 -1.372 3.185 1.00 0.48 O ATOM 1985 CB GLN A 121 3.876 1.740 3.620 1.00 0.49 C ATOM 1986 CG GLN A 121 4.826 2.903 3.926 1.00 1.10 C ATOM 1987 CD GLN A 121 5.998 2.552 4.840 1.00 1.98 C ATOM 1988 OE1 GLN A 121 7.134 2.877 4.546 1.00 2.97 O ATOM 1989 NE2 GLN A 121 5.822 1.845 5.932 1.00 3.00 N ATOM 0 H GLN A 121 3.573 0.190 1.204 1.00 0.36 H new ATOM 0 HA GLN A 121 5.625 0.489 3.244 1.00 0.39 H new ATOM 0 HB2 GLN A 121 3.110 2.087 2.927 1.00 0.49 H new ATOM 0 HB3 GLN A 121 3.367 1.453 4.540 1.00 0.49 H new ATOM 0 HG2 GLN A 121 5.220 3.288 2.986 1.00 1.10 H new ATOM 0 HG3 GLN A 121 4.254 3.709 4.386 1.00 1.10 H new ATOM 0 HE21 GLN A 121 4.883 1.556 6.207 1.00 3.00 H new ATOM 0 HE22 GLN A 121 6.624 1.584 6.506 1.00 3.00 H new ATOM 1998 N TYR A 122 4.507 -1.050 4.851 1.00 0.56 N ATOM 1999 CA TYR A 122 4.120 -2.041 5.862 1.00 0.51 C ATOM 2000 C TYR A 122 4.013 -1.329 7.227 1.00 0.50 C ATOM 2001 O TYR A 122 4.673 -0.307 7.437 1.00 0.65 O ATOM 2002 CB TYR A 122 5.228 -3.118 5.877 1.00 0.59 C ATOM 2003 CG TYR A 122 5.615 -3.732 7.211 1.00 0.62 C ATOM 2004 CD1 TYR A 122 6.567 -3.078 8.021 1.00 1.92 C ATOM 2005 CD2 TYR A 122 5.085 -4.971 7.619 1.00 1.56 C ATOM 2006 CE1 TYR A 122 6.988 -3.653 9.234 1.00 2.12 C ATOM 2007 CE2 TYR A 122 5.514 -5.560 8.824 1.00 1.59 C ATOM 2008 CZ TYR A 122 6.467 -4.904 9.635 1.00 1.12 C ATOM 2009 OH TYR A 122 6.889 -5.485 10.793 1.00 1.42 O ATOM 0 H TYR A 122 5.334 -0.537 5.157 1.00 0.56 H new ATOM 0 HA TYR A 122 3.158 -2.505 5.645 1.00 0.51 H new ATOM 0 HB2 TYR A 122 4.915 -3.927 5.217 1.00 0.59 H new ATOM 0 HB3 TYR A 122 6.125 -2.679 5.440 1.00 0.59 H new ATOM 0 HD1 TYR A 122 6.976 -2.129 7.708 1.00 1.92 H new ATOM 0 HD2 TYR A 122 4.348 -5.470 7.007 1.00 1.56 H new ATOM 0 HE1 TYR A 122 7.707 -3.140 9.856 1.00 2.12 H new ATOM 0 HE2 TYR A 122 5.114 -6.516 9.129 1.00 1.59 H new ATOM 0 HH TYR A 122 6.428 -6.341 10.916 1.00 1.42 H new ATOM 2019 N LEU A 123 3.241 -1.865 8.180 1.00 0.48 N ATOM 2020 CA LEU A 123 3.314 -1.447 9.588 1.00 0.56 C ATOM 2021 C LEU A 123 2.826 -2.561 10.523 1.00 0.65 C ATOM 2022 O LEU A 123 2.036 -3.413 10.122 1.00 0.74 O ATOM 2023 CB LEU A 123 2.560 -0.113 9.809 1.00 0.67 C ATOM 2024 CG LEU A 123 3.207 0.792 10.879 1.00 0.96 C ATOM 2025 CD1 LEU A 123 4.519 1.423 10.379 1.00 2.19 C ATOM 2026 CD2 LEU A 123 2.239 1.913 11.277 1.00 1.72 C ATOM 0 H LEU A 123 2.552 -2.596 8.000 1.00 0.48 H new ATOM 0 HA LEU A 123 4.359 -1.265 9.839 1.00 0.56 H new ATOM 0 HB2 LEU A 123 2.515 0.430 8.865 1.00 0.67 H new ATOM 0 HB3 LEU A 123 1.533 -0.330 10.101 1.00 0.67 H new ATOM 0 HG LEU A 123 3.432 0.163 11.740 1.00 0.96 H new ATOM 0 HD11 LEU A 123 4.942 2.052 11.162 1.00 2.19 H new ATOM 0 HD12 LEU A 123 5.228 0.635 10.124 1.00 2.19 H new ATOM 0 HD13 LEU A 123 4.318 2.029 9.496 1.00 2.19 H new ATOM 0 HD21 LEU A 123 2.706 2.545 12.032 1.00 1.72 H new ATOM 0 HD22 LEU A 123 1.997 2.513 10.400 1.00 1.72 H new ATOM 0 HD23 LEU A 123 1.325 1.478 11.682 1.00 1.72 H new ATOM 2038 N MET A 124 3.298 -2.551 11.772 1.00 0.79 N ATOM 2039 CA MET A 124 3.007 -3.574 12.785 1.00 0.93 C ATOM 2040 C MET A 124 2.245 -2.961 13.974 1.00 0.97 C ATOM 2041 O MET A 124 2.528 -1.830 14.377 1.00 1.11 O ATOM 2042 CB MET A 124 4.336 -4.223 13.225 1.00 1.14 C ATOM 2043 CG MET A 124 4.260 -5.753 13.285 1.00 1.11 C ATOM 2044 SD MET A 124 3.200 -6.438 14.587 1.00 1.61 S ATOM 2045 CE MET A 124 1.797 -7.023 13.600 1.00 1.22 C ATOM 0 H MET A 124 3.910 -1.812 12.118 1.00 0.79 H new ATOM 0 HA MET A 124 2.361 -4.345 12.364 1.00 0.93 H new ATOM 0 HB2 MET A 124 5.125 -3.930 12.532 1.00 1.14 H new ATOM 0 HB3 MET A 124 4.615 -3.839 14.206 1.00 1.14 H new ATOM 0 HG2 MET A 124 3.903 -6.119 12.322 1.00 1.11 H new ATOM 0 HG3 MET A 124 5.269 -6.143 13.420 1.00 1.11 H new ATOM 0 HE1 MET A 124 0.868 -6.824 14.134 1.00 1.22 H new ATOM 0 HE2 MET A 124 1.783 -6.502 12.643 1.00 1.22 H new ATOM 0 HE3 MET A 124 1.895 -8.095 13.429 1.00 1.22 H new ATOM 2055 N LEU A 125 1.288 -3.708 14.536 1.00 1.00 N ATOM 2056 CA LEU A 125 0.416 -3.309 15.652 1.00 1.03 C ATOM 2057 C LEU A 125 0.451 -4.396 16.752 1.00 1.04 C ATOM 2058 O LEU A 125 0.368 -5.583 16.411 1.00 1.11 O ATOM 2059 CB LEU A 125 -1.025 -3.105 15.121 1.00 1.17 C ATOM 2060 CG LEU A 125 -1.560 -1.661 15.218 1.00 1.43 C ATOM 2061 CD1 LEU A 125 -0.736 -0.666 14.384 1.00 2.44 C ATOM 2062 CD2 LEU A 125 -3.024 -1.634 14.753 1.00 2.04 C ATOM 0 H LEU A 125 1.089 -4.654 14.211 1.00 1.00 H new ATOM 0 HA LEU A 125 0.766 -2.372 16.086 1.00 1.03 H new ATOM 0 HB2 LEU A 125 -1.059 -3.419 14.078 1.00 1.17 H new ATOM 0 HB3 LEU A 125 -1.696 -3.762 15.674 1.00 1.17 H new ATOM 0 HG LEU A 125 -1.479 -1.350 16.260 1.00 1.43 H new ATOM 0 HD11 LEU A 125 -1.157 0.334 14.490 1.00 2.44 H new ATOM 0 HD12 LEU A 125 0.296 -0.664 14.735 1.00 2.44 H new ATOM 0 HD13 LEU A 125 -0.762 -0.962 13.335 1.00 2.44 H new ATOM 0 HD21 LEU A 125 -3.408 -0.616 14.819 1.00 2.04 H new ATOM 0 HD22 LEU A 125 -3.084 -1.978 13.721 1.00 2.04 H new ATOM 0 HD23 LEU A 125 -3.620 -2.289 15.389 1.00 2.04 H new ATOM 2074 N PRO A 126 0.560 -4.037 18.050 1.00 1.11 N ATOM 2075 CA PRO A 126 0.748 -5.005 19.134 1.00 1.25 C ATOM 2076 C PRO A 126 -0.484 -5.885 19.411 1.00 1.25 C ATOM 2077 O PRO A 126 -0.323 -6.979 19.953 1.00 1.45 O ATOM 2078 CB PRO A 126 1.136 -4.171 20.362 1.00 1.41 C ATOM 2079 CG PRO A 126 0.535 -2.795 20.086 1.00 1.34 C ATOM 2080 CD PRO A 126 0.649 -2.677 18.567 1.00 1.20 C ATOM 0 HA PRO A 126 1.518 -5.726 18.860 1.00 1.25 H new ATOM 0 HB2 PRO A 126 0.736 -4.603 21.279 1.00 1.41 H new ATOM 0 HB3 PRO A 126 2.218 -4.116 20.480 1.00 1.41 H new ATOM 0 HG2 PRO A 126 -0.500 -2.731 20.420 1.00 1.34 H new ATOM 0 HG3 PRO A 126 1.084 -2.004 20.596 1.00 1.34 H new ATOM 0 HD2 PRO A 126 -0.149 -2.053 18.163 1.00 1.20 H new ATOM 0 HD3 PRO A 126 1.593 -2.212 18.282 1.00 1.20 H new ATOM 2088 N GLU A 127 -1.693 -5.445 19.039 1.00 1.23 N ATOM 2089 CA GLU A 127 -2.954 -6.161 19.261 1.00 1.48 C ATOM 2090 C GLU A 127 -3.002 -7.506 18.516 1.00 1.83 C ATOM 2091 O GLU A 127 -3.184 -8.544 19.158 1.00 2.93 O ATOM 2092 CB GLU A 127 -4.157 -5.295 18.833 1.00 1.73 C ATOM 2093 CG GLU A 127 -4.333 -3.989 19.628 1.00 1.94 C ATOM 2094 CD GLU A 127 -3.590 -2.771 19.044 1.00 2.58 C ATOM 2095 OE1 GLU A 127 -2.598 -2.942 18.301 1.00 3.95 O ATOM 2096 OE2 GLU A 127 -4.004 -1.626 19.344 1.00 3.00 O ATOM 0 H GLU A 127 -1.824 -4.554 18.561 1.00 1.23 H new ATOM 0 HA GLU A 127 -3.011 -6.366 20.330 1.00 1.48 H new ATOM 0 HB2 GLU A 127 -4.050 -5.048 17.777 1.00 1.73 H new ATOM 0 HB3 GLU A 127 -5.066 -5.888 18.932 1.00 1.73 H new ATOM 0 HG2 GLU A 127 -5.396 -3.755 19.685 1.00 1.94 H new ATOM 0 HG3 GLU A 127 -3.988 -4.152 20.649 1.00 1.94 H new ATOM 2103 N ARG A 128 -2.815 -7.480 17.185 1.00 1.46 N ATOM 2104 CA ARG A 128 -2.792 -8.604 16.221 1.00 1.82 C ATOM 2105 C ARG A 128 -2.749 -8.095 14.762 1.00 1.35 C ATOM 2106 O ARG A 128 -2.825 -6.886 14.524 1.00 2.46 O ATOM 2107 CB ARG A 128 -3.989 -9.577 16.410 1.00 2.68 C ATOM 2108 CG ARG A 128 -3.605 -11.069 16.397 1.00 3.71 C ATOM 2109 CD ARG A 128 -2.808 -11.553 17.623 1.00 4.72 C ATOM 2110 NE ARG A 128 -1.345 -11.535 17.407 1.00 6.07 N ATOM 2111 CZ ARG A 128 -0.431 -10.827 18.066 1.00 6.89 C ATOM 2112 NH1 ARG A 128 -0.750 -9.908 18.952 1.00 6.68 N ATOM 2113 NH2 ARG A 128 0.846 -11.035 17.831 1.00 8.47 N ATOM 0 H ARG A 128 -2.662 -6.591 16.708 1.00 1.46 H new ATOM 0 HA ARG A 128 -1.878 -9.161 16.427 1.00 1.82 H new ATOM 0 HB2 ARG A 128 -4.481 -9.349 17.356 1.00 2.68 H new ATOM 0 HB3 ARG A 128 -4.718 -9.395 15.620 1.00 2.68 H new ATOM 0 HG2 ARG A 128 -4.517 -11.661 16.320 1.00 3.71 H new ATOM 0 HG3 ARG A 128 -3.018 -11.269 15.500 1.00 3.71 H new ATOM 0 HD2 ARG A 128 -3.051 -10.923 18.479 1.00 4.72 H new ATOM 0 HD3 ARG A 128 -3.120 -12.567 17.875 1.00 4.72 H new ATOM 0 HE ARG A 128 -0.994 -12.138 16.663 1.00 6.07 H new ATOM 0 HH11 ARG A 128 -1.731 -9.715 19.156 1.00 6.68 H new ATOM 0 HH12 ARG A 128 -0.017 -9.388 19.434 1.00 6.68 H new ATOM 0 HH21 ARG A 128 1.131 -11.736 17.147 1.00 8.47 H new ATOM 0 HH22 ARG A 128 1.551 -10.496 18.333 1.00 8.47 H new ATOM 2127 N ALA A 129 -2.693 -9.032 13.801 1.00 1.84 N ATOM 2128 CA ALA A 129 -3.000 -8.853 12.369 1.00 1.50 C ATOM 2129 C ALA A 129 -1.907 -8.098 11.577 1.00 1.36 C ATOM 2130 O ALA A 129 -0.850 -7.775 12.124 1.00 1.91 O ATOM 2131 CB ALA A 129 -4.395 -8.234 12.223 1.00 1.70 C ATOM 0 H ALA A 129 -2.416 -9.991 14.013 1.00 1.84 H new ATOM 0 HA ALA A 129 -3.006 -9.839 11.904 1.00 1.50 H new ATOM 0 HB1 ALA A 129 -4.625 -8.100 11.166 1.00 1.70 H new ATOM 0 HB2 ALA A 129 -5.135 -8.894 12.675 1.00 1.70 H new ATOM 0 HB3 ALA A 129 -4.418 -7.266 12.724 1.00 1.70 H new ATOM 2137 N LEU A 130 -2.134 -7.858 10.276 1.00 0.90 N ATOM 2138 CA LEU A 130 -1.198 -7.160 9.380 1.00 0.88 C ATOM 2139 C LEU A 130 -1.894 -6.589 8.134 1.00 0.69 C ATOM 2140 O LEU A 130 -2.936 -7.078 7.699 1.00 0.64 O ATOM 2141 CB LEU A 130 -0.015 -8.096 9.016 1.00 1.19 C ATOM 2142 CG LEU A 130 1.365 -7.559 9.455 1.00 0.98 C ATOM 2143 CD1 LEU A 130 2.452 -8.625 9.254 1.00 2.03 C ATOM 2144 CD2 LEU A 130 1.771 -6.297 8.683 1.00 2.33 C ATOM 0 H LEU A 130 -2.992 -8.150 9.807 1.00 0.90 H new ATOM 0 HA LEU A 130 -0.799 -6.297 9.913 1.00 0.88 H new ATOM 0 HB2 LEU A 130 -0.179 -9.069 9.478 1.00 1.19 H new ATOM 0 HB3 LEU A 130 -0.007 -8.253 7.937 1.00 1.19 H new ATOM 0 HG LEU A 130 1.274 -7.307 10.512 1.00 0.98 H new ATOM 0 HD11 LEU A 130 3.416 -8.226 9.569 1.00 2.03 H new ATOM 0 HD12 LEU A 130 2.212 -9.506 9.849 1.00 2.03 H new ATOM 0 HD13 LEU A 130 2.501 -8.901 8.201 1.00 2.03 H new ATOM 0 HD21 LEU A 130 2.748 -5.958 9.028 1.00 2.33 H new ATOM 0 HD22 LEU A 130 1.820 -6.522 7.618 1.00 2.33 H new ATOM 0 HD23 LEU A 130 1.034 -5.513 8.854 1.00 2.33 H new ATOM 2156 N GLY A 131 -1.272 -5.570 7.538 1.00 0.74 N ATOM 2157 CA GLY A 131 -1.688 -4.920 6.298 1.00 0.60 C ATOM 2158 C GLY A 131 -0.510 -4.279 5.571 1.00 0.67 C ATOM 2159 O GLY A 131 0.534 -4.002 6.167 1.00 0.84 O ATOM 0 H GLY A 131 -0.424 -5.157 7.927 1.00 0.74 H new ATOM 0 HA2 GLY A 131 -2.163 -5.653 5.645 1.00 0.60 H new ATOM 0 HA3 GLY A 131 -2.436 -4.159 6.520 1.00 0.60 H new ATOM 2163 N PHE A 132 -0.701 -4.030 4.278 1.00 0.60 N ATOM 2164 CA PHE A 132 0.272 -3.379 3.400 1.00 0.56 C ATOM 2165 C PHE A 132 -0.462 -2.427 2.449 1.00 0.47 C ATOM 2166 O PHE A 132 -1.646 -2.625 2.158 1.00 0.51 O ATOM 2167 CB PHE A 132 1.067 -4.429 2.596 1.00 0.70 C ATOM 2168 CG PHE A 132 1.785 -5.506 3.398 1.00 1.03 C ATOM 2169 CD1 PHE A 132 1.091 -6.650 3.847 1.00 2.31 C ATOM 2170 CD2 PHE A 132 3.166 -5.395 3.649 1.00 2.36 C ATOM 2171 CE1 PHE A 132 1.770 -7.661 4.553 1.00 2.95 C ATOM 2172 CE2 PHE A 132 3.849 -6.415 4.337 1.00 3.21 C ATOM 2173 CZ PHE A 132 3.149 -7.546 4.795 1.00 3.03 C ATOM 0 H PHE A 132 -1.564 -4.283 3.796 1.00 0.60 H new ATOM 0 HA PHE A 132 0.978 -2.813 4.008 1.00 0.56 H new ATOM 0 HB2 PHE A 132 0.381 -4.920 1.906 1.00 0.70 H new ATOM 0 HB3 PHE A 132 1.807 -3.905 1.991 1.00 0.70 H new ATOM 0 HD1 PHE A 132 0.034 -6.750 3.648 1.00 2.31 H new ATOM 0 HD2 PHE A 132 3.704 -4.522 3.311 1.00 2.36 H new ATOM 0 HE1 PHE A 132 1.230 -8.526 4.909 1.00 2.95 H new ATOM 0 HE2 PHE A 132 4.911 -6.329 4.513 1.00 3.21 H new ATOM 0 HZ PHE A 132 3.671 -8.324 5.332 1.00 3.03 H new ATOM 2183 N LEU A 133 0.244 -1.431 1.910 1.00 0.47 N ATOM 2184 CA LEU A 133 -0.268 -0.610 0.811 1.00 0.39 C ATOM 2185 C LEU A 133 0.843 -0.275 -0.179 1.00 0.40 C ATOM 2186 O LEU A 133 2.008 -0.123 0.194 1.00 0.42 O ATOM 2187 CB LEU A 133 -1.059 0.605 1.348 1.00 0.44 C ATOM 2188 CG LEU A 133 -0.241 1.816 1.853 1.00 0.57 C ATOM 2189 CD1 LEU A 133 0.093 2.806 0.722 1.00 1.40 C ATOM 2190 CD2 LEU A 133 -1.050 2.576 2.912 1.00 1.24 C ATOM 0 H LEU A 133 1.180 -1.172 2.220 1.00 0.47 H new ATOM 0 HA LEU A 133 -0.996 -1.181 0.234 1.00 0.39 H new ATOM 0 HB2 LEU A 133 -1.722 0.953 0.556 1.00 0.44 H new ATOM 0 HB3 LEU A 133 -1.692 0.261 2.166 1.00 0.44 H new ATOM 0 HG LEU A 133 0.689 1.423 2.264 1.00 0.57 H new ATOM 0 HD11 LEU A 133 0.668 3.639 1.126 1.00 1.40 H new ATOM 0 HD12 LEU A 133 0.679 2.299 -0.045 1.00 1.40 H new ATOM 0 HD13 LEU A 133 -0.831 3.182 0.283 1.00 1.40 H new ATOM 0 HD21 LEU A 133 -0.473 3.430 3.268 1.00 1.24 H new ATOM 0 HD22 LEU A 133 -1.984 2.927 2.474 1.00 1.24 H new ATOM 0 HD23 LEU A 133 -1.269 1.912 3.748 1.00 1.24 H new ATOM 2202 N SER A 134 0.480 -0.168 -1.449 1.00 0.44 N ATOM 2203 CA SER A 134 1.421 0.088 -2.535 1.00 0.58 C ATOM 2204 C SER A 134 0.773 0.974 -3.602 1.00 0.63 C ATOM 2205 O SER A 134 -0.288 0.654 -4.146 1.00 0.78 O ATOM 2206 CB SER A 134 1.916 -1.242 -3.123 1.00 0.71 C ATOM 2207 OG SER A 134 2.890 -1.026 -4.120 1.00 1.65 O ATOM 0 H SER A 134 -0.487 -0.257 -1.760 1.00 0.44 H new ATOM 0 HA SER A 134 2.286 0.624 -2.145 1.00 0.58 H new ATOM 0 HB2 SER A 134 2.335 -1.860 -2.329 1.00 0.71 H new ATOM 0 HB3 SER A 134 1.075 -1.792 -3.545 1.00 0.71 H new ATOM 0 HG SER A 134 3.775 -0.962 -3.704 1.00 1.65 H new ATOM 2213 N PHE A 135 1.418 2.103 -3.898 1.00 0.54 N ATOM 2214 CA PHE A 135 1.102 2.947 -5.039 1.00 0.51 C ATOM 2215 C PHE A 135 2.014 2.558 -6.203 1.00 0.50 C ATOM 2216 O PHE A 135 3.231 2.460 -6.048 1.00 0.52 O ATOM 2217 CB PHE A 135 1.296 4.431 -4.682 1.00 0.63 C ATOM 2218 CG PHE A 135 0.485 4.968 -3.514 1.00 0.59 C ATOM 2219 CD1 PHE A 135 -0.882 4.647 -3.375 1.00 1.77 C ATOM 2220 CD2 PHE A 135 1.088 5.840 -2.583 1.00 1.70 C ATOM 2221 CE1 PHE A 135 -1.631 5.176 -2.309 1.00 1.89 C ATOM 2222 CE2 PHE A 135 0.339 6.363 -1.513 1.00 1.68 C ATOM 2223 CZ PHE A 135 -1.020 6.032 -1.378 1.00 0.86 C ATOM 0 H PHE A 135 2.191 2.459 -3.336 1.00 0.54 H new ATOM 0 HA PHE A 135 0.059 2.803 -5.322 1.00 0.51 H new ATOM 0 HB2 PHE A 135 2.352 4.593 -4.465 1.00 0.63 H new ATOM 0 HB3 PHE A 135 1.057 5.026 -5.563 1.00 0.63 H new ATOM 0 HD1 PHE A 135 -1.355 3.992 -4.091 1.00 1.77 H new ATOM 0 HD2 PHE A 135 2.129 6.107 -2.692 1.00 1.70 H new ATOM 0 HE1 PHE A 135 -2.676 4.924 -2.206 1.00 1.89 H new ATOM 0 HE2 PHE A 135 0.809 7.019 -0.795 1.00 1.68 H new ATOM 0 HZ PHE A 135 -1.595 6.436 -0.558 1.00 0.86 H new ATOM 2233 N SER A 136 1.431 2.434 -7.386 1.00 0.47 N ATOM 2234 CA SER A 136 2.139 2.431 -8.666 1.00 0.45 C ATOM 2235 C SER A 136 2.090 3.830 -9.300 1.00 0.50 C ATOM 2236 O SER A 136 1.228 4.649 -8.966 1.00 0.71 O ATOM 2237 CB SER A 136 1.496 1.409 -9.606 1.00 0.56 C ATOM 2238 OG SER A 136 1.662 0.099 -9.096 1.00 2.03 O ATOM 0 H SER A 136 0.422 2.329 -7.489 1.00 0.47 H new ATOM 0 HA SER A 136 3.181 2.159 -8.497 1.00 0.45 H new ATOM 0 HB2 SER A 136 0.435 1.629 -9.722 1.00 0.56 H new ATOM 0 HB3 SER A 136 1.947 1.481 -10.596 1.00 0.56 H new ATOM 0 HG SER A 136 0.795 -0.357 -9.077 1.00 2.03 H new ATOM 2244 N ARG A 137 3.002 4.102 -10.241 1.00 0.46 N ATOM 2245 CA ARG A 137 3.087 5.368 -10.976 1.00 0.48 C ATOM 2246 C ARG A 137 3.555 5.138 -12.419 1.00 0.48 C ATOM 2247 O ARG A 137 4.472 4.351 -12.660 1.00 0.50 O ATOM 2248 CB ARG A 137 3.948 6.387 -10.202 1.00 0.66 C ATOM 2249 CG ARG A 137 5.427 5.989 -10.055 1.00 2.01 C ATOM 2250 CD ARG A 137 5.972 6.051 -8.617 1.00 2.91 C ATOM 2251 NE ARG A 137 6.523 7.371 -8.261 1.00 3.37 N ATOM 2252 CZ ARG A 137 7.726 7.835 -8.590 1.00 4.37 C ATOM 2253 NH1 ARG A 137 8.468 7.255 -9.509 1.00 5.27 N ATOM 2254 NH2 ARG A 137 8.198 8.903 -7.984 1.00 5.32 N ATOM 0 H ARG A 137 3.718 3.431 -10.519 1.00 0.46 H new ATOM 0 HA ARG A 137 2.091 5.804 -11.053 1.00 0.48 H new ATOM 0 HB2 ARG A 137 3.892 7.350 -10.709 1.00 0.66 H new ATOM 0 HB3 ARG A 137 3.521 6.525 -9.209 1.00 0.66 H new ATOM 0 HG2 ARG A 137 5.555 4.975 -10.434 1.00 2.01 H new ATOM 0 HG3 ARG A 137 6.029 6.643 -10.685 1.00 2.01 H new ATOM 0 HD2 ARG A 137 5.172 5.799 -7.921 1.00 2.91 H new ATOM 0 HD3 ARG A 137 6.749 5.296 -8.497 1.00 2.91 H new ATOM 0 HE ARG A 137 5.925 7.987 -7.710 1.00 3.37 H new ATOM 0 HH11 ARG A 137 8.125 6.425 -9.992 1.00 5.27 H new ATOM 0 HH12 ARG A 137 9.386 7.636 -9.738 1.00 5.27 H new ATOM 0 HH21 ARG A 137 7.643 9.370 -7.267 1.00 5.32 H new ATOM 0 HH22 ARG A 137 9.119 9.264 -8.231 1.00 5.32 H new ATOM 2268 N CYS A 138 2.920 5.805 -13.388 1.00 0.54 N ATOM 2269 CA CYS A 138 3.249 5.670 -14.818 1.00 0.69 C ATOM 2270 C CYS A 138 4.459 6.540 -15.212 1.00 0.73 C ATOM 2271 O CYS A 138 5.111 6.305 -16.229 1.00 0.82 O ATOM 2272 CB CYS A 138 1.974 5.924 -15.644 1.00 0.98 C ATOM 2273 SG CYS A 138 2.208 5.335 -17.348 1.00 2.99 S ATOM 0 H CYS A 138 2.158 6.458 -13.205 1.00 0.54 H new ATOM 0 HA CYS A 138 3.578 4.655 -15.039 1.00 0.69 H new ATOM 0 HB2 CYS A 138 1.127 5.412 -15.187 1.00 0.98 H new ATOM 0 HB3 CYS A 138 1.739 6.988 -15.648 1.00 0.98 H new ATOM 0 HG CYS A 138 3.455 5.472 -17.687 1.00 2.99 H new ATOM 2279 N SER A 139 4.836 7.488 -14.357 1.00 0.74 N ATOM 2280 CA SER A 139 6.162 8.101 -14.342 1.00 0.80 C ATOM 2281 C SER A 139 7.258 7.062 -14.012 1.00 0.71 C ATOM 2282 O SER A 139 7.348 6.535 -12.901 1.00 0.76 O ATOM 2283 CB SER A 139 6.161 9.308 -13.378 1.00 0.95 C ATOM 2284 OG SER A 139 5.444 9.056 -12.170 1.00 1.67 O ATOM 0 H SER A 139 4.214 7.860 -13.639 1.00 0.74 H new ATOM 0 HA SER A 139 6.402 8.474 -15.338 1.00 0.80 H new ATOM 0 HB2 SER A 139 7.190 9.573 -13.135 1.00 0.95 H new ATOM 0 HB3 SER A 139 5.721 10.168 -13.882 1.00 0.95 H new ATOM 0 HG SER A 139 5.477 9.851 -11.598 1.00 1.67 H new ATOM 2290 N ALA A 140 8.142 6.781 -14.981 1.00 0.71 N ATOM 2291 CA ALA A 140 9.275 5.850 -14.828 1.00 0.69 C ATOM 2292 C ALA A 140 10.429 6.430 -13.966 1.00 0.70 C ATOM 2293 O ALA A 140 11.485 5.809 -13.820 1.00 0.81 O ATOM 2294 CB ALA A 140 9.740 5.432 -16.236 1.00 0.76 C ATOM 0 H ALA A 140 8.091 7.200 -15.909 1.00 0.71 H new ATOM 0 HA ALA A 140 8.944 4.972 -14.274 1.00 0.69 H new ATOM 0 HB1 ALA A 140 10.579 4.742 -16.152 1.00 0.76 H new ATOM 0 HB2 ALA A 140 8.919 4.943 -16.760 1.00 0.76 H new ATOM 0 HB3 ALA A 140 10.051 6.315 -16.794 1.00 0.76 H new ATOM 2300 N ARG A 141 10.225 7.641 -13.428 1.00 0.73 N ATOM 2301 CA ARG A 141 11.224 8.528 -12.824 1.00 0.81 C ATOM 2302 C ARG A 141 11.795 7.968 -11.517 1.00 0.83 C ATOM 2303 O ARG A 141 11.074 7.411 -10.687 1.00 0.98 O ATOM 2304 CB ARG A 141 10.610 9.929 -12.610 1.00 0.95 C ATOM 2305 CG ARG A 141 10.764 10.875 -13.813 1.00 1.22 C ATOM 2306 CD ARG A 141 10.271 10.312 -15.154 1.00 1.55 C ATOM 2307 NE ARG A 141 10.310 11.352 -16.198 1.00 2.44 N ATOM 2308 CZ ARG A 141 10.457 11.184 -17.508 1.00 3.34 C ATOM 2309 NH1 ARG A 141 10.613 9.998 -18.062 1.00 3.99 N ATOM 2310 NH2 ARG A 141 10.445 12.239 -18.294 1.00 4.09 N ATOM 0 H ARG A 141 9.292 8.053 -13.403 1.00 0.73 H new ATOM 0 HA ARG A 141 12.065 8.603 -13.514 1.00 0.81 H new ATOM 0 HB2 ARG A 141 9.550 9.818 -12.383 1.00 0.95 H new ATOM 0 HB3 ARG A 141 11.076 10.389 -11.739 1.00 0.95 H new ATOM 0 HG2 ARG A 141 10.221 11.796 -13.602 1.00 1.22 H new ATOM 0 HG3 ARG A 141 11.816 11.141 -13.914 1.00 1.22 H new ATOM 0 HD2 ARG A 141 10.893 9.467 -15.451 1.00 1.55 H new ATOM 0 HD3 ARG A 141 9.254 9.936 -15.045 1.00 1.55 H new ATOM 0 HE ARG A 141 10.213 12.315 -15.877 1.00 2.44 H new ATOM 0 HH11 ARG A 141 10.624 9.161 -17.480 1.00 3.99 H new ATOM 0 HH12 ARG A 141 10.722 9.918 -19.073 1.00 3.99 H new ATOM 0 HH21 ARG A 141 10.324 13.170 -17.896 1.00 4.09 H new ATOM 0 HH22 ARG A 141 10.557 12.126 -19.302 1.00 4.09 H new ATOM 2324 N GLU A 142 13.103 8.155 -11.351 1.00 0.81 N ATOM 2325 CA GLU A 142 13.917 7.621 -10.255 1.00 0.80 C ATOM 2326 C GLU A 142 13.448 8.108 -8.872 1.00 0.72 C ATOM 2327 O GLU A 142 12.959 9.230 -8.718 1.00 0.70 O ATOM 2328 CB GLU A 142 15.390 7.990 -10.524 1.00 0.89 C ATOM 2329 CG GLU A 142 16.401 7.287 -9.610 1.00 1.22 C ATOM 2330 CD GLU A 142 17.840 7.600 -10.052 1.00 1.92 C ATOM 2331 OE1 GLU A 142 18.415 8.614 -9.589 1.00 2.83 O ATOM 2332 OE2 GLU A 142 18.406 6.837 -10.870 1.00 2.61 O ATOM 0 H GLU A 142 13.653 8.709 -12.007 1.00 0.81 H new ATOM 0 HA GLU A 142 13.805 6.537 -10.227 1.00 0.80 H new ATOM 0 HB2 GLU A 142 15.628 7.749 -11.560 1.00 0.89 H new ATOM 0 HB3 GLU A 142 15.507 9.068 -10.412 1.00 0.89 H new ATOM 0 HG2 GLU A 142 16.253 7.610 -8.579 1.00 1.22 H new ATOM 0 HG3 GLU A 142 16.234 6.210 -9.634 1.00 1.22 H new ATOM 2339 N ILE A 143 13.618 7.259 -7.855 1.00 0.75 N ATOM 2340 CA ILE A 143 13.310 7.559 -6.449 1.00 0.69 C ATOM 2341 C ILE A 143 14.564 8.112 -5.725 1.00 0.85 C ATOM 2342 O ILE A 143 15.579 7.407 -5.676 1.00 1.01 O ATOM 2343 CB ILE A 143 12.756 6.276 -5.778 1.00 0.68 C ATOM 2344 CG1 ILE A 143 11.328 5.929 -6.266 1.00 0.70 C ATOM 2345 CG2 ILE A 143 12.787 6.346 -4.245 1.00 0.97 C ATOM 2346 CD1 ILE A 143 10.207 6.783 -5.653 1.00 1.32 C ATOM 0 H ILE A 143 13.984 6.316 -7.988 1.00 0.75 H new ATOM 0 HA ILE A 143 12.549 8.336 -6.384 1.00 0.69 H new ATOM 0 HB ILE A 143 13.428 5.475 -6.087 1.00 0.68 H new ATOM 0 HG12 ILE A 143 11.295 6.036 -7.350 1.00 0.70 H new ATOM 0 HG13 ILE A 143 11.129 4.881 -6.043 1.00 0.70 H new ATOM 0 HG21 ILE A 143 12.387 5.421 -3.830 1.00 0.97 H new ATOM 0 HG22 ILE A 143 13.815 6.481 -3.908 1.00 0.97 H new ATOM 0 HG23 ILE A 143 12.181 7.187 -3.907 1.00 0.97 H new ATOM 0 HD11 ILE A 143 9.246 6.465 -6.056 1.00 1.32 H new ATOM 0 HD12 ILE A 143 10.205 6.658 -4.570 1.00 1.32 H new ATOM 0 HD13 ILE A 143 10.374 7.832 -5.897 1.00 1.32 H new ATOM 2358 N PRO A 144 14.503 9.330 -5.140 1.00 0.95 N ATOM 2359 CA PRO A 144 15.461 9.833 -4.155 1.00 1.10 C ATOM 2360 C PRO A 144 15.043 9.311 -2.773 1.00 1.07 C ATOM 2361 O PRO A 144 14.942 8.105 -2.568 1.00 1.73 O ATOM 2362 CB PRO A 144 15.424 11.356 -4.355 1.00 1.33 C ATOM 2363 CG PRO A 144 13.953 11.627 -4.668 1.00 1.28 C ATOM 2364 CD PRO A 144 13.520 10.373 -5.433 1.00 1.04 C ATOM 0 HA PRO A 144 16.493 9.499 -4.260 1.00 1.10 H new ATOM 0 HB2 PRO A 144 15.751 11.888 -3.462 1.00 1.33 H new ATOM 0 HB3 PRO A 144 16.075 11.672 -5.170 1.00 1.33 H new ATOM 0 HG2 PRO A 144 13.367 11.766 -3.759 1.00 1.28 H new ATOM 0 HG3 PRO A 144 13.829 12.528 -5.269 1.00 1.28 H new ATOM 0 HD2 PRO A 144 12.522 10.059 -5.126 1.00 1.04 H new ATOM 0 HD3 PRO A 144 13.476 10.571 -6.504 1.00 1.04 H new ATOM 2372 N ILE A 145 14.766 10.196 -1.818 1.00 1.07 N ATOM 2373 CA ILE A 145 14.115 9.853 -0.544 1.00 0.97 C ATOM 2374 C ILE A 145 12.686 9.315 -0.737 1.00 0.87 C ATOM 2375 O ILE A 145 12.268 8.451 0.031 1.00 1.38 O ATOM 2376 CB ILE A 145 14.219 11.097 0.368 1.00 1.18 C ATOM 2377 CG1 ILE A 145 13.789 10.839 1.833 1.00 1.27 C ATOM 2378 CG2 ILE A 145 13.547 12.356 -0.223 1.00 1.34 C ATOM 2379 CD1 ILE A 145 12.309 11.074 2.179 1.00 1.40 C ATOM 0 H ILE A 145 14.989 11.188 -1.903 1.00 1.07 H new ATOM 0 HA ILE A 145 14.622 9.020 -0.058 1.00 0.97 H new ATOM 0 HB ILE A 145 15.287 11.311 0.404 1.00 1.18 H new ATOM 0 HG12 ILE A 145 14.035 9.806 2.081 1.00 1.27 H new ATOM 0 HG13 ILE A 145 14.393 11.475 2.480 1.00 1.27 H new ATOM 0 HG21 ILE A 145 13.660 13.189 0.471 1.00 1.34 H new ATOM 0 HG22 ILE A 145 14.019 12.609 -1.172 1.00 1.34 H new ATOM 0 HG23 ILE A 145 12.487 12.160 -0.386 1.00 1.34 H new ATOM 0 HD11 ILE A 145 12.143 10.857 3.234 1.00 1.40 H new ATOM 0 HD12 ILE A 145 12.049 12.113 1.977 1.00 1.40 H new ATOM 0 HD13 ILE A 145 11.685 10.419 1.572 1.00 1.40 H new ATOM 2391 N LEU A 146 12.008 9.812 -1.787 1.00 1.17 N ATOM 2392 CA LEU A 146 10.642 9.600 -2.321 1.00 1.14 C ATOM 2393 C LEU A 146 10.104 10.918 -2.893 1.00 1.22 C ATOM 2394 O LEU A 146 9.604 10.974 -4.012 1.00 1.45 O ATOM 2395 CB LEU A 146 9.629 9.044 -1.282 1.00 1.37 C ATOM 2396 CG LEU A 146 9.169 7.626 -1.647 1.00 1.22 C ATOM 2397 CD1 LEU A 146 8.527 6.918 -0.447 1.00 1.38 C ATOM 2398 CD2 LEU A 146 8.141 7.721 -2.777 1.00 2.87 C ATOM 0 H LEU A 146 12.488 10.487 -2.382 1.00 1.17 H new ATOM 0 HA LEU A 146 10.737 8.839 -3.096 1.00 1.14 H new ATOM 0 HB2 LEU A 146 10.088 9.035 -0.293 1.00 1.37 H new ATOM 0 HB3 LEU A 146 8.764 9.705 -1.226 1.00 1.37 H new ATOM 0 HG LEU A 146 10.040 7.048 -1.957 1.00 1.22 H new ATOM 0 HD11 LEU A 146 8.213 5.916 -0.741 1.00 1.38 H new ATOM 0 HD12 LEU A 146 9.252 6.848 0.364 1.00 1.38 H new ATOM 0 HD13 LEU A 146 7.660 7.486 -0.111 1.00 1.38 H new ATOM 0 HD21 LEU A 146 7.804 6.720 -3.048 1.00 2.87 H new ATOM 0 HD22 LEU A 146 7.288 8.313 -2.444 1.00 2.87 H new ATOM 0 HD23 LEU A 146 8.597 8.197 -3.645 1.00 2.87 H new ATOM 2410 N SER A 147 10.234 11.944 -2.059 1.00 1.20 N ATOM 2411 CA SER A 147 9.561 13.248 -1.998 1.00 1.34 C ATOM 2412 C SER A 147 8.934 13.293 -0.607 1.00 1.35 C ATOM 2413 O SER A 147 8.062 12.490 -0.280 1.00 1.34 O ATOM 2414 CB SER A 147 8.499 13.514 -3.070 1.00 1.33 C ATOM 2415 OG SER A 147 7.996 14.834 -2.937 1.00 2.64 O ATOM 0 H SER A 147 10.911 11.874 -1.299 1.00 1.20 H new ATOM 0 HA SER A 147 10.297 14.028 -2.192 1.00 1.34 H new ATOM 0 HB2 SER A 147 8.930 13.378 -4.062 1.00 1.33 H new ATOM 0 HB3 SER A 147 7.686 12.795 -2.974 1.00 1.33 H new ATOM 0 HG SER A 147 7.133 14.810 -2.474 1.00 2.64 H new ATOM 2421 N ASP A 148 9.436 14.173 0.252 1.00 1.35 N ATOM 2422 CA ASP A 148 9.163 14.140 1.694 1.00 1.37 C ATOM 2423 C ASP A 148 7.673 14.358 2.011 1.00 1.40 C ATOM 2424 O ASP A 148 7.155 13.764 2.952 1.00 1.46 O ATOM 2425 CB ASP A 148 10.070 15.155 2.403 1.00 1.40 C ATOM 2426 CG ASP A 148 9.885 16.595 1.894 1.00 2.70 C ATOM 2427 OD1 ASP A 148 10.487 16.940 0.848 1.00 3.66 O ATOM 2428 OD2 ASP A 148 9.145 17.377 2.537 1.00 3.64 O ATOM 0 H ASP A 148 10.049 14.938 -0.030 1.00 1.35 H new ATOM 0 HA ASP A 148 9.394 13.144 2.073 1.00 1.37 H new ATOM 0 HB2 ASP A 148 9.868 15.127 3.474 1.00 1.40 H new ATOM 0 HB3 ASP A 148 11.110 14.860 2.267 1.00 1.40 H new ATOM 2433 N GLU A 149 6.954 15.122 1.186 1.00 1.39 N ATOM 2434 CA GLU A 149 5.505 15.312 1.313 1.00 1.43 C ATOM 2435 C GLU A 149 4.692 14.058 0.930 1.00 1.46 C ATOM 2436 O GLU A 149 3.626 13.825 1.498 1.00 1.67 O ATOM 2437 CB GLU A 149 5.060 16.600 0.597 1.00 1.43 C ATOM 2438 CG GLU A 149 5.402 16.738 -0.896 1.00 2.26 C ATOM 2439 CD GLU A 149 4.689 15.716 -1.789 1.00 3.19 C ATOM 2440 OE1 GLU A 149 3.435 15.671 -1.773 1.00 3.53 O ATOM 2441 OE2 GLU A 149 5.391 14.954 -2.496 1.00 4.31 O ATOM 0 H GLU A 149 7.364 15.632 0.403 1.00 1.39 H new ATOM 0 HA GLU A 149 5.278 15.452 2.370 1.00 1.43 H new ATOM 0 HB2 GLU A 149 3.979 16.687 0.704 1.00 1.43 H new ATOM 0 HB3 GLU A 149 5.502 17.447 1.123 1.00 1.43 H new ATOM 0 HG2 GLU A 149 5.140 17.743 -1.228 1.00 2.26 H new ATOM 0 HG3 GLU A 149 6.479 16.630 -1.024 1.00 2.26 H new ATOM 2448 N LEU A 150 5.177 13.212 0.011 1.00 1.31 N ATOM 2449 CA LEU A 150 4.607 11.884 -0.270 1.00 1.21 C ATOM 2450 C LEU A 150 4.998 10.901 0.831 1.00 1.15 C ATOM 2451 O LEU A 150 4.153 10.169 1.330 1.00 1.08 O ATOM 2452 CB LEU A 150 5.037 11.434 -1.683 1.00 1.15 C ATOM 2453 CG LEU A 150 4.989 9.923 -2.008 1.00 0.77 C ATOM 2454 CD1 LEU A 150 3.633 9.216 -1.853 1.00 1.69 C ATOM 2455 CD2 LEU A 150 5.411 9.756 -3.471 1.00 1.87 C ATOM 0 H LEU A 150 5.988 13.433 -0.567 1.00 1.31 H new ATOM 0 HA LEU A 150 3.518 11.923 -0.266 1.00 1.21 H new ATOM 0 HB2 LEU A 150 4.405 11.951 -2.405 1.00 1.15 H new ATOM 0 HB3 LEU A 150 6.058 11.779 -1.847 1.00 1.15 H new ATOM 0 HG LEU A 150 5.646 9.457 -1.273 1.00 0.77 H new ATOM 0 HD11 LEU A 150 3.740 8.163 -2.112 1.00 1.69 H new ATOM 0 HD12 LEU A 150 3.293 9.303 -0.821 1.00 1.69 H new ATOM 0 HD13 LEU A 150 2.903 9.680 -2.516 1.00 1.69 H new ATOM 0 HD21 LEU A 150 5.389 8.699 -3.738 1.00 1.87 H new ATOM 0 HD22 LEU A 150 4.723 10.307 -4.113 1.00 1.87 H new ATOM 0 HD23 LEU A 150 6.421 10.143 -3.605 1.00 1.87 H new ATOM 2467 N GLN A 151 6.261 10.911 1.233 1.00 1.19 N ATOM 2468 CA GLN A 151 6.842 10.004 2.218 1.00 1.12 C ATOM 2469 C GLN A 151 6.186 10.158 3.601 1.00 1.03 C ATOM 2470 O GLN A 151 5.862 9.162 4.251 1.00 0.90 O ATOM 2471 CB GLN A 151 8.352 10.285 2.200 1.00 1.38 C ATOM 2472 CG GLN A 151 9.188 9.755 3.374 1.00 1.19 C ATOM 2473 CD GLN A 151 9.368 10.739 4.537 1.00 2.04 C ATOM 2474 OE1 GLN A 151 9.753 11.887 4.366 1.00 3.91 O ATOM 2475 NE2 GLN A 151 9.139 10.324 5.769 1.00 2.28 N ATOM 0 H GLN A 151 6.939 11.579 0.867 1.00 1.19 H new ATOM 0 HA GLN A 151 6.659 8.958 1.972 1.00 1.12 H new ATOM 0 HB2 GLN A 151 8.761 9.866 1.280 1.00 1.38 H new ATOM 0 HB3 GLN A 151 8.492 11.365 2.148 1.00 1.38 H new ATOM 0 HG2 GLN A 151 8.719 8.848 3.755 1.00 1.19 H new ATOM 0 HG3 GLN A 151 10.172 9.472 3.001 1.00 1.19 H new ATOM 0 HE21 GLN A 151 8.817 9.370 5.934 1.00 2.28 H new ATOM 0 HE22 GLN A 151 9.284 10.957 6.556 1.00 2.28 H new ATOM 2484 N LEU A 152 5.946 11.399 4.038 1.00 1.12 N ATOM 2485 CA LEU A 152 5.268 11.705 5.299 1.00 1.10 C ATOM 2486 C LEU A 152 3.773 11.414 5.213 1.00 0.99 C ATOM 2487 O LEU A 152 3.240 10.771 6.120 1.00 0.90 O ATOM 2488 CB LEU A 152 5.534 13.166 5.708 1.00 1.22 C ATOM 2489 CG LEU A 152 6.975 13.416 6.199 1.00 1.28 C ATOM 2490 CD1 LEU A 152 7.256 14.921 6.280 1.00 1.44 C ATOM 2491 CD2 LEU A 152 7.236 12.779 7.575 1.00 1.37 C ATOM 0 H LEU A 152 6.222 12.231 3.516 1.00 1.12 H new ATOM 0 HA LEU A 152 5.676 11.054 6.072 1.00 1.10 H new ATOM 0 HB2 LEU A 152 5.331 13.816 4.857 1.00 1.22 H new ATOM 0 HB3 LEU A 152 4.836 13.447 6.497 1.00 1.22 H new ATOM 0 HG LEU A 152 7.644 12.949 5.476 1.00 1.28 H new ATOM 0 HD11 LEU A 152 8.276 15.082 6.628 1.00 1.44 H new ATOM 0 HD12 LEU A 152 7.134 15.368 5.293 1.00 1.44 H new ATOM 0 HD13 LEU A 152 6.558 15.385 6.977 1.00 1.44 H new ATOM 0 HD21 LEU A 152 8.263 12.981 7.880 1.00 1.37 H new ATOM 0 HD22 LEU A 152 6.549 13.203 8.308 1.00 1.37 H new ATOM 0 HD23 LEU A 152 7.081 11.702 7.513 1.00 1.37 H new ATOM 2503 N LYS A 153 3.089 11.821 4.130 1.00 1.02 N ATOM 2504 CA LYS A 153 1.665 11.484 3.991 1.00 0.94 C ATOM 2505 C LYS A 153 1.457 9.962 3.935 1.00 0.84 C ATOM 2506 O LYS A 153 0.543 9.466 4.579 1.00 0.73 O ATOM 2507 CB LYS A 153 0.951 12.293 2.883 1.00 1.23 C ATOM 2508 CG LYS A 153 0.907 11.672 1.476 1.00 1.87 C ATOM 2509 CD LYS A 153 -0.043 12.430 0.529 1.00 2.53 C ATOM 2510 CE LYS A 153 0.338 13.889 0.217 1.00 2.58 C ATOM 2511 NZ LYS A 153 1.630 13.979 -0.503 1.00 3.46 N ATOM 0 H LYS A 153 3.483 12.365 3.363 1.00 1.02 H new ATOM 0 HA LYS A 153 1.154 11.811 4.896 1.00 0.94 H new ATOM 0 HB2 LYS A 153 -0.075 12.474 3.205 1.00 1.23 H new ATOM 0 HB3 LYS A 153 1.438 13.265 2.808 1.00 1.23 H new ATOM 0 HG2 LYS A 153 1.911 11.668 1.052 1.00 1.87 H new ATOM 0 HG3 LYS A 153 0.588 10.632 1.550 1.00 1.87 H new ATOM 0 HD2 LYS A 153 -0.101 11.881 -0.411 1.00 2.53 H new ATOM 0 HD3 LYS A 153 -1.042 12.421 0.965 1.00 2.53 H new ATOM 0 HE2 LYS A 153 -0.446 14.349 -0.385 1.00 2.58 H new ATOM 0 HE3 LYS A 153 0.400 14.455 1.146 1.00 2.58 H new ATOM 0 HZ1 LYS A 153 1.740 14.933 -0.901 1.00 3.46 H new ATOM 0 HZ2 LYS A 153 2.410 13.788 0.158 1.00 3.46 H new ATOM 0 HZ3 LYS A 153 1.649 13.279 -1.272 1.00 3.46 H new ATOM 2525 N MET A 154 2.350 9.207 3.281 1.00 0.86 N ATOM 2526 CA MET A 154 2.366 7.740 3.255 1.00 0.74 C ATOM 2527 C MET A 154 2.541 7.124 4.646 1.00 0.66 C ATOM 2528 O MET A 154 1.841 6.164 4.969 1.00 0.55 O ATOM 2529 CB MET A 154 3.464 7.276 2.283 1.00 0.81 C ATOM 2530 CG MET A 154 3.848 5.810 2.479 1.00 1.72 C ATOM 2531 SD MET A 154 4.744 5.093 1.091 1.00 2.01 S ATOM 2532 CE MET A 154 3.348 4.217 0.349 1.00 1.12 C ATOM 0 H MET A 154 3.108 9.617 2.736 1.00 0.86 H new ATOM 0 HA MET A 154 1.395 7.389 2.906 1.00 0.74 H new ATOM 0 HB2 MET A 154 3.122 7.423 1.259 1.00 0.81 H new ATOM 0 HB3 MET A 154 4.348 7.899 2.417 1.00 0.81 H new ATOM 0 HG2 MET A 154 4.460 5.723 3.377 1.00 1.72 H new ATOM 0 HG3 MET A 154 2.943 5.228 2.653 1.00 1.72 H new ATOM 0 HE1 MET A 154 3.702 3.606 -0.482 1.00 1.12 H new ATOM 0 HE2 MET A 154 2.881 3.576 1.097 1.00 1.12 H new ATOM 0 HE3 MET A 154 2.618 4.939 -0.017 1.00 1.12 H new ATOM 2542 N GLN A 155 3.447 7.649 5.473 1.00 0.74 N ATOM 2543 CA GLN A 155 3.660 7.130 6.827 1.00 0.71 C ATOM 2544 C GLN A 155 2.420 7.325 7.709 1.00 0.59 C ATOM 2545 O GLN A 155 2.065 6.413 8.458 1.00 0.55 O ATOM 2546 CB GLN A 155 4.928 7.769 7.424 1.00 0.88 C ATOM 2547 CG GLN A 155 5.403 7.126 8.742 1.00 1.15 C ATOM 2548 CD GLN A 155 4.890 7.825 10.009 1.00 2.27 C ATOM 2549 OE1 GLN A 155 5.546 8.688 10.581 1.00 2.39 O ATOM 2550 NE2 GLN A 155 3.717 7.486 10.506 1.00 4.02 N ATOM 0 H GLN A 155 4.048 8.436 5.228 1.00 0.74 H new ATOM 0 HA GLN A 155 3.817 6.052 6.781 1.00 0.71 H new ATOM 0 HB2 GLN A 155 5.733 7.704 6.691 1.00 0.88 H new ATOM 0 HB3 GLN A 155 4.739 8.828 7.598 1.00 0.88 H new ATOM 0 HG2 GLN A 155 5.082 6.085 8.761 1.00 1.15 H new ATOM 0 HG3 GLN A 155 6.493 7.124 8.759 1.00 1.15 H new ATOM 0 HE21 GLN A 155 3.155 6.770 10.045 1.00 4.02 H new ATOM 0 HE22 GLN A 155 3.371 7.940 11.351 1.00 4.02 H new ATOM 2559 N LEU A 156 1.727 8.467 7.598 1.00 0.61 N ATOM 2560 CA LEU A 156 0.423 8.663 8.248 1.00 0.57 C ATOM 2561 C LEU A 156 -0.600 7.698 7.651 1.00 0.48 C ATOM 2562 O LEU A 156 -1.258 6.970 8.395 1.00 0.46 O ATOM 2563 CB LEU A 156 0.010 10.146 8.127 1.00 0.81 C ATOM 2564 CG LEU A 156 -1.382 10.562 8.670 1.00 1.04 C ATOM 2565 CD1 LEU A 156 -2.515 10.360 7.656 1.00 1.41 C ATOM 2566 CD2 LEU A 156 -1.784 9.904 9.999 1.00 2.07 C ATOM 0 H LEU A 156 2.049 9.272 7.062 1.00 0.61 H new ATOM 0 HA LEU A 156 0.481 8.435 9.312 1.00 0.57 H new ATOM 0 HB2 LEU A 156 0.761 10.745 8.642 1.00 0.81 H new ATOM 0 HB3 LEU A 156 0.052 10.419 7.073 1.00 0.81 H new ATOM 0 HG LEU A 156 -1.250 11.627 8.858 1.00 1.04 H new ATOM 0 HD11 LEU A 156 -3.461 10.671 8.100 1.00 1.41 H new ATOM 0 HD12 LEU A 156 -2.318 10.958 6.766 1.00 1.41 H new ATOM 0 HD13 LEU A 156 -2.572 9.307 7.380 1.00 1.41 H new ATOM 0 HD21 LEU A 156 -2.771 10.258 10.296 1.00 2.07 H new ATOM 0 HD22 LEU A 156 -1.808 8.821 9.876 1.00 2.07 H new ATOM 0 HD23 LEU A 156 -1.058 10.166 10.769 1.00 2.07 H new ATOM 2578 N LEU A 157 -0.696 7.647 6.318 1.00 0.48 N ATOM 2579 CA LEU A 157 -1.653 6.812 5.599 1.00 0.46 C ATOM 2580 C LEU A 157 -1.519 5.352 6.012 1.00 0.43 C ATOM 2581 O LEU A 157 -2.529 4.793 6.408 1.00 0.49 O ATOM 2582 CB LEU A 157 -1.522 6.987 4.071 1.00 0.50 C ATOM 2583 CG LEU A 157 -2.616 7.876 3.448 1.00 0.79 C ATOM 2584 CD1 LEU A 157 -2.648 9.327 3.943 1.00 1.61 C ATOM 2585 CD2 LEU A 157 -2.477 7.869 1.920 1.00 1.69 C ATOM 0 H LEU A 157 -0.098 8.197 5.701 1.00 0.48 H new ATOM 0 HA LEU A 157 -2.655 7.142 5.873 1.00 0.46 H new ATOM 0 HB2 LEU A 157 -0.546 7.418 3.847 1.00 0.50 H new ATOM 0 HB3 LEU A 157 -1.553 6.005 3.599 1.00 0.50 H new ATOM 0 HG LEU A 157 -3.558 7.435 3.773 1.00 0.79 H new ATOM 0 HD11 LEU A 157 -3.453 9.865 3.442 1.00 1.61 H new ATOM 0 HD12 LEU A 157 -2.817 9.340 5.020 1.00 1.61 H new ATOM 0 HD13 LEU A 157 -1.696 9.809 3.719 1.00 1.61 H new ATOM 0 HD21 LEU A 157 -3.251 8.498 1.481 1.00 1.69 H new ATOM 0 HD22 LEU A 157 -1.496 8.254 1.642 1.00 1.69 H new ATOM 0 HD23 LEU A 157 -2.585 6.850 1.550 1.00 1.69 H new ATOM 2597 N VAL A 158 -0.324 4.756 6.021 1.00 0.41 N ATOM 2598 CA VAL A 158 -0.175 3.349 6.436 1.00 0.43 C ATOM 2599 C VAL A 158 -0.591 3.132 7.892 1.00 0.44 C ATOM 2600 O VAL A 158 -1.283 2.158 8.169 1.00 0.49 O ATOM 2601 CB VAL A 158 1.214 2.734 6.141 1.00 0.47 C ATOM 2602 CG1 VAL A 158 2.333 3.200 7.083 1.00 0.51 C ATOM 2603 CG2 VAL A 158 1.115 1.193 6.182 1.00 0.56 C ATOM 0 H VAL A 158 0.547 5.214 5.751 1.00 0.41 H new ATOM 0 HA VAL A 158 -0.870 2.800 5.801 1.00 0.43 H new ATOM 0 HB VAL A 158 1.492 3.088 5.148 1.00 0.47 H new ATOM 0 HG11 VAL A 158 3.269 2.718 6.802 1.00 0.51 H new ATOM 0 HG12 VAL A 158 2.445 4.282 7.008 1.00 0.51 H new ATOM 0 HG13 VAL A 158 2.081 2.931 8.109 1.00 0.51 H new ATOM 0 HG21 VAL A 158 2.093 0.760 5.974 1.00 0.56 H new ATOM 0 HG22 VAL A 158 0.780 0.876 7.170 1.00 0.56 H new ATOM 0 HG23 VAL A 158 0.401 0.854 5.431 1.00 0.56 H new ATOM 2613 N ARG A 159 -0.225 4.030 8.818 1.00 0.42 N ATOM 2614 CA ARG A 159 -0.634 3.905 10.225 1.00 0.47 C ATOM 2615 C ARG A 159 -2.149 3.937 10.357 1.00 0.50 C ATOM 2616 O ARG A 159 -2.734 3.051 10.983 1.00 0.57 O ATOM 2617 CB ARG A 159 0.102 4.960 11.095 1.00 0.49 C ATOM 2618 CG ARG A 159 -0.673 5.760 12.169 1.00 0.90 C ATOM 2619 CD ARG A 159 -1.306 4.988 13.339 1.00 1.48 C ATOM 2620 NE ARG A 159 -0.321 4.191 14.095 1.00 2.34 N ATOM 2621 CZ ARG A 159 -0.602 3.291 15.032 1.00 3.48 C ATOM 2622 NH1 ARG A 159 -1.841 2.991 15.365 1.00 4.18 N ATOM 2623 NH2 ARG A 159 0.373 2.671 15.661 1.00 4.37 N ATOM 0 H ARG A 159 0.351 4.848 8.619 1.00 0.42 H new ATOM 0 HA ARG A 159 -0.331 2.931 10.609 1.00 0.47 H new ATOM 0 HB2 ARG A 159 0.920 4.448 11.601 1.00 0.49 H new ATOM 0 HB3 ARG A 159 0.551 5.683 10.415 1.00 0.49 H new ATOM 0 HG2 ARG A 159 0.009 6.499 12.589 1.00 0.90 H new ATOM 0 HG3 ARG A 159 -1.468 6.310 11.665 1.00 0.90 H new ATOM 0 HD2 ARG A 159 -1.791 5.693 14.014 1.00 1.48 H new ATOM 0 HD3 ARG A 159 -2.083 4.328 12.955 1.00 1.48 H new ATOM 0 HE ARG A 159 0.664 4.344 13.879 1.00 2.34 H new ATOM 0 HH11 ARG A 159 -2.621 3.455 14.899 1.00 4.18 H new ATOM 0 HH12 ARG A 159 -2.020 2.295 16.089 1.00 4.18 H new ATOM 0 HH21 ARG A 159 1.344 2.881 15.430 1.00 4.37 H new ATOM 0 HH22 ARG A 159 0.158 1.980 16.380 1.00 4.37 H new ATOM 2637 N GLU A 160 -2.777 4.940 9.757 1.00 0.47 N ATOM 2638 CA GLU A 160 -4.204 5.155 9.924 1.00 0.53 C ATOM 2639 C GLU A 160 -4.984 4.099 9.132 1.00 0.65 C ATOM 2640 O GLU A 160 -5.788 3.369 9.699 1.00 0.99 O ATOM 2641 CB GLU A 160 -4.570 6.597 9.522 1.00 0.59 C ATOM 2642 CG GLU A 160 -5.373 7.322 10.610 1.00 1.82 C ATOM 2643 CD GLU A 160 -6.753 6.708 10.885 1.00 3.52 C ATOM 2644 OE1 GLU A 160 -7.212 5.862 10.095 1.00 4.84 O ATOM 2645 OE2 GLU A 160 -7.391 7.089 11.892 1.00 4.27 O ATOM 0 H GLU A 160 -2.317 5.618 9.149 1.00 0.47 H new ATOM 0 HA GLU A 160 -4.481 5.039 10.972 1.00 0.53 H new ATOM 0 HB2 GLU A 160 -3.658 7.156 9.314 1.00 0.59 H new ATOM 0 HB3 GLU A 160 -5.149 6.578 8.599 1.00 0.59 H new ATOM 0 HG2 GLU A 160 -4.796 7.320 11.535 1.00 1.82 H new ATOM 0 HG3 GLU A 160 -5.503 8.364 10.317 1.00 1.82 H new ATOM 2652 N SER A 161 -4.680 3.915 7.848 1.00 0.52 N ATOM 2653 CA SER A 161 -5.414 2.981 6.994 1.00 0.52 C ATOM 2654 C SER A 161 -5.303 1.547 7.509 1.00 0.57 C ATOM 2655 O SER A 161 -6.323 0.862 7.552 1.00 0.69 O ATOM 2656 CB SER A 161 -5.018 3.087 5.512 1.00 0.60 C ATOM 2657 OG SER A 161 -3.822 2.389 5.201 1.00 1.71 O ATOM 0 H SER A 161 -3.923 4.406 7.372 1.00 0.52 H new ATOM 0 HA SER A 161 -6.463 3.273 7.048 1.00 0.52 H new ATOM 0 HB2 SER A 161 -5.829 2.697 4.897 1.00 0.60 H new ATOM 0 HB3 SER A 161 -4.896 4.138 5.249 1.00 0.60 H new ATOM 0 HG SER A 161 -3.050 2.916 5.494 1.00 1.71 H new ATOM 2663 N LEU A 162 -4.123 1.098 7.970 1.00 0.58 N ATOM 2664 CA LEU A 162 -3.990 -0.232 8.556 1.00 0.70 C ATOM 2665 C LEU A 162 -4.889 -0.364 9.783 1.00 0.75 C ATOM 2666 O LEU A 162 -5.667 -1.314 9.843 1.00 0.87 O ATOM 2667 CB LEU A 162 -2.509 -0.530 8.841 1.00 0.83 C ATOM 2668 CG LEU A 162 -2.224 -1.969 9.321 1.00 1.22 C ATOM 2669 CD1 LEU A 162 -0.823 -2.385 8.860 1.00 1.76 C ATOM 2670 CD2 LEU A 162 -2.294 -2.106 10.852 1.00 2.65 C ATOM 0 H LEU A 162 -3.258 1.638 7.945 1.00 0.58 H new ATOM 0 HA LEU A 162 -4.330 -0.990 7.850 1.00 0.70 H new ATOM 0 HB2 LEU A 162 -1.933 -0.343 7.935 1.00 0.83 H new ATOM 0 HB3 LEU A 162 -2.150 0.169 9.597 1.00 0.83 H new ATOM 0 HG LEU A 162 -2.992 -2.611 8.891 1.00 1.22 H new ATOM 0 HD11 LEU A 162 -0.616 -3.401 9.196 1.00 1.76 H new ATOM 0 HD12 LEU A 162 -0.771 -2.345 7.772 1.00 1.76 H new ATOM 0 HD13 LEU A 162 -0.084 -1.705 9.283 1.00 1.76 H new ATOM 0 HD21 LEU A 162 -2.086 -3.138 11.135 1.00 2.65 H new ATOM 0 HD22 LEU A 162 -1.556 -1.448 11.310 1.00 2.65 H new ATOM 0 HD23 LEU A 162 -3.290 -1.829 11.197 1.00 2.65 H new ATOM 2682 N MET A 163 -4.842 0.577 10.735 1.00 0.73 N ATOM 2683 CA MET A 163 -5.644 0.462 11.957 1.00 0.90 C ATOM 2684 C MET A 163 -7.150 0.618 11.708 1.00 0.88 C ATOM 2685 O MET A 163 -7.928 -0.152 12.262 1.00 0.99 O ATOM 2686 CB MET A 163 -5.110 1.369 13.078 1.00 1.08 C ATOM 2687 CG MET A 163 -5.474 2.847 12.978 1.00 1.00 C ATOM 2688 SD MET A 163 -4.887 3.820 14.383 1.00 1.78 S ATOM 2689 CE MET A 163 -5.784 5.335 14.004 1.00 1.22 C ATOM 0 H MET A 163 -4.264 1.416 10.683 1.00 0.73 H new ATOM 0 HA MET A 163 -5.528 -0.562 12.312 1.00 0.90 H new ATOM 0 HB2 MET A 163 -5.478 0.989 14.031 1.00 1.08 H new ATOM 0 HB3 MET A 163 -4.024 1.284 13.099 1.00 1.08 H new ATOM 0 HG2 MET A 163 -5.054 3.257 12.059 1.00 1.00 H new ATOM 0 HG3 MET A 163 -6.557 2.944 12.904 1.00 1.00 H new ATOM 0 HE1 MET A 163 -6.030 5.854 14.931 1.00 1.22 H new ATOM 0 HE2 MET A 163 -5.163 5.979 13.381 1.00 1.22 H new ATOM 0 HE3 MET A 163 -6.703 5.090 13.471 1.00 1.22 H new ATOM 2699 N ALA A 164 -7.577 1.560 10.863 1.00 0.78 N ATOM 2700 CA ALA A 164 -8.981 1.810 10.532 1.00 0.78 C ATOM 2701 C ALA A 164 -9.602 0.653 9.742 1.00 0.78 C ATOM 2702 O ALA A 164 -10.723 0.246 10.055 1.00 0.83 O ATOM 2703 CB ALA A 164 -9.095 3.148 9.790 1.00 0.72 C ATOM 0 H ALA A 164 -6.937 2.187 10.377 1.00 0.78 H new ATOM 0 HA ALA A 164 -9.555 1.874 11.457 1.00 0.78 H new ATOM 0 HB1 ALA A 164 -10.139 3.338 9.541 1.00 0.72 H new ATOM 0 HB2 ALA A 164 -8.721 3.950 10.427 1.00 0.72 H new ATOM 0 HB3 ALA A 164 -8.506 3.107 8.874 1.00 0.72 H new ATOM 2709 N LEU A 165 -8.878 0.089 8.766 1.00 0.74 N ATOM 2710 CA LEU A 165 -9.309 -1.127 8.065 1.00 0.80 C ATOM 2711 C LEU A 165 -9.391 -2.282 9.069 1.00 0.84 C ATOM 2712 O LEU A 165 -10.378 -3.008 9.068 1.00 0.90 O ATOM 2713 CB LEU A 165 -8.346 -1.444 6.898 1.00 0.80 C ATOM 2714 CG LEU A 165 -8.887 -2.231 5.680 1.00 0.85 C ATOM 2715 CD1 LEU A 165 -9.955 -3.288 5.987 1.00 1.44 C ATOM 2716 CD2 LEU A 165 -9.405 -1.261 4.607 1.00 1.80 C ATOM 0 H LEU A 165 -7.984 0.459 8.442 1.00 0.74 H new ATOM 0 HA LEU A 165 -10.298 -0.977 7.632 1.00 0.80 H new ATOM 0 HB2 LEU A 165 -7.950 -0.498 6.530 1.00 0.80 H new ATOM 0 HB3 LEU A 165 -7.505 -2.004 7.306 1.00 0.80 H new ATOM 0 HG LEU A 165 -8.029 -2.797 5.318 1.00 0.85 H new ATOM 0 HD11 LEU A 165 -10.261 -3.776 5.061 1.00 1.44 H new ATOM 0 HD12 LEU A 165 -9.545 -4.031 6.671 1.00 1.44 H new ATOM 0 HD13 LEU A 165 -10.819 -2.809 6.447 1.00 1.44 H new ATOM 0 HD21 LEU A 165 -9.783 -1.828 3.756 1.00 1.80 H new ATOM 0 HD22 LEU A 165 -10.208 -0.653 5.023 1.00 1.80 H new ATOM 0 HD23 LEU A 165 -8.592 -0.613 4.279 1.00 1.80 H new ATOM 2728 N MET A 166 -8.424 -2.420 9.986 1.00 0.83 N ATOM 2729 CA MET A 166 -8.439 -3.474 11.012 1.00 0.95 C ATOM 2730 C MET A 166 -9.655 -3.369 11.943 1.00 0.98 C ATOM 2731 O MET A 166 -10.316 -4.376 12.214 1.00 1.04 O ATOM 2732 CB MET A 166 -7.109 -3.468 11.786 1.00 1.02 C ATOM 2733 CG MET A 166 -6.788 -4.833 12.387 1.00 1.62 C ATOM 2734 SD MET A 166 -6.634 -6.105 11.107 1.00 2.61 S ATOM 2735 CE MET A 166 -7.837 -7.259 11.781 1.00 2.00 C ATOM 0 H MET A 166 -7.611 -1.806 10.038 1.00 0.83 H new ATOM 0 HA MET A 166 -8.539 -4.436 10.510 1.00 0.95 H new ATOM 0 HB2 MET A 166 -6.302 -3.168 11.117 1.00 1.02 H new ATOM 0 HB3 MET A 166 -7.156 -2.724 12.581 1.00 1.02 H new ATOM 0 HG2 MET A 166 -5.859 -4.772 12.954 1.00 1.62 H new ATOM 0 HG3 MET A 166 -7.572 -5.116 13.089 1.00 1.62 H new ATOM 0 HE1 MET A 166 -8.008 -8.065 11.067 1.00 2.00 H new ATOM 0 HE2 MET A 166 -7.458 -7.676 12.714 1.00 2.00 H new ATOM 0 HE3 MET A 166 -8.775 -6.737 11.971 1.00 2.00 H new ATOM 2745 N ARG A 167 -9.997 -2.144 12.360 1.00 0.96 N ATOM 2746 CA ARG A 167 -11.215 -1.806 13.116 1.00 0.98 C ATOM 2747 C ARG A 167 -12.524 -2.069 12.344 1.00 1.01 C ATOM 2748 O ARG A 167 -13.616 -2.034 12.904 1.00 1.01 O ATOM 2749 CB ARG A 167 -11.134 -0.329 13.564 1.00 1.00 C ATOM 2750 CG ARG A 167 -11.430 -0.127 15.053 1.00 1.28 C ATOM 2751 CD ARG A 167 -12.900 -0.322 15.443 1.00 2.15 C ATOM 2752 NE ARG A 167 -13.112 -0.098 16.886 1.00 2.45 N ATOM 2753 CZ ARG A 167 -13.805 -0.873 17.717 1.00 3.38 C ATOM 2754 NH1 ARG A 167 -14.365 -1.998 17.334 1.00 4.27 N ATOM 2755 NH2 ARG A 167 -13.946 -0.525 18.978 1.00 3.99 N ATOM 0 H ARG A 167 -9.413 -1.329 12.175 1.00 0.96 H new ATOM 0 HA ARG A 167 -11.252 -2.469 13.980 1.00 0.98 H new ATOM 0 HB2 ARG A 167 -10.138 0.055 13.344 1.00 1.00 H new ATOM 0 HB3 ARG A 167 -11.840 0.260 12.978 1.00 1.00 H new ATOM 0 HG2 ARG A 167 -10.819 -0.822 15.629 1.00 1.28 H new ATOM 0 HG3 ARG A 167 -11.122 0.879 15.338 1.00 1.28 H new ATOM 0 HD2 ARG A 167 -13.523 0.366 14.872 1.00 2.15 H new ATOM 0 HD3 ARG A 167 -13.216 -1.332 15.180 1.00 2.15 H new ATOM 0 HE ARG A 167 -12.684 0.736 17.288 1.00 2.45 H new ATOM 0 HH11 ARG A 167 -14.277 -2.308 16.366 1.00 4.27 H new ATOM 0 HH12 ARG A 167 -14.888 -2.562 18.004 1.00 4.27 H new ATOM 0 HH21 ARG A 167 -13.524 0.339 19.319 1.00 3.99 H new ATOM 0 HH22 ARG A 167 -14.477 -1.119 19.615 1.00 3.99 H new ATOM 2769 N LEU A 168 -12.430 -2.300 11.038 1.00 1.12 N ATOM 2770 CA LEU A 168 -13.522 -2.726 10.154 1.00 1.26 C ATOM 2771 C LEU A 168 -13.422 -4.205 9.712 1.00 1.43 C ATOM 2772 O LEU A 168 -14.370 -4.725 9.122 1.00 1.80 O ATOM 2773 CB LEU A 168 -13.585 -1.722 8.986 1.00 1.08 C ATOM 2774 CG LEU A 168 -14.707 -0.690 9.234 1.00 0.97 C ATOM 2775 CD1 LEU A 168 -14.392 0.652 8.573 1.00 1.81 C ATOM 2776 CD2 LEU A 168 -16.045 -1.259 8.740 1.00 1.66 C ATOM 0 H LEU A 168 -11.548 -2.191 10.538 1.00 1.12 H new ATOM 0 HA LEU A 168 -14.467 -2.708 10.697 1.00 1.26 H new ATOM 0 HB2 LEU A 168 -12.627 -1.212 8.883 1.00 1.08 H new ATOM 0 HB3 LEU A 168 -13.767 -2.251 8.051 1.00 1.08 H new ATOM 0 HG LEU A 168 -14.779 -0.502 10.305 1.00 0.97 H new ATOM 0 HD11 LEU A 168 -15.203 1.353 8.769 1.00 1.81 H new ATOM 0 HD12 LEU A 168 -13.463 1.049 8.981 1.00 1.81 H new ATOM 0 HD13 LEU A 168 -14.285 0.512 7.497 1.00 1.81 H new ATOM 0 HD21 LEU A 168 -16.837 -0.531 8.915 1.00 1.66 H new ATOM 0 HD22 LEU A 168 -15.978 -1.473 7.673 1.00 1.66 H new ATOM 0 HD23 LEU A 168 -16.271 -2.178 9.281 1.00 1.66 H new ATOM 2788 N ASN A 169 -12.313 -4.889 10.016 1.00 1.29 N ATOM 2789 CA ASN A 169 -12.042 -6.284 9.646 1.00 1.49 C ATOM 2790 C ASN A 169 -12.353 -7.270 10.791 1.00 1.50 C ATOM 2791 O ASN A 169 -13.004 -8.286 10.540 1.00 1.72 O ATOM 2792 CB ASN A 169 -10.571 -6.375 9.187 1.00 1.54 C ATOM 2793 CG ASN A 169 -10.103 -7.714 8.602 1.00 2.25 C ATOM 2794 OD1 ASN A 169 -8.939 -7.856 8.251 1.00 3.86 O ATOM 2795 ND2 ASN A 169 -10.946 -8.723 8.459 1.00 1.93 N ATOM 0 H ASN A 169 -11.550 -4.470 10.547 1.00 1.29 H new ATOM 0 HA ASN A 169 -12.704 -6.578 8.832 1.00 1.49 H new ATOM 0 HB2 ASN A 169 -10.402 -5.601 8.438 1.00 1.54 H new ATOM 0 HB3 ASN A 169 -9.935 -6.138 10.040 1.00 1.54 H new ATOM 0 HD21 ASN A 169 -10.623 -9.605 8.061 1.00 1.93 H new ATOM 0 HD22 ASN A 169 -11.919 -8.619 8.747 1.00 1.93 H new