USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 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 35 CYS SG : rot 92:sc= 0.0125 USER MOD Set 1.2: A 36 SER OG : rot 91:sc= 1.28 USER MOD Set 1.3: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -170:sc=-0.00654 (180deg=-0.104) USER MOD Single : A 16 GLN : amide:sc= -0.0424 K(o=-0.042,f=-0.76) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 65:sc= 1.22 USER MOD Single : A 34 MET CE :methyl 178:sc= -0.004 (180deg=-0.00741) USER MOD Single : A 37 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 38 TYR OH : rot 168:sc= 1.24 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 98:sc= 1.28 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 81:sc= -0.2 USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= -0.369 (180deg=-2.89!) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0.316 (180deg=0.279) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.22 K(o=-0.22,f=-2.5!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl 168:sc= -1.15 (180deg=-1.54) USER MOD Single : A 83 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.082) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 88 ASN : amide:sc= 0.574 K(o=0.57,f=-0.22) USER MOD Single : A 89 GLN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.603 K(o=-0.6,f=-8.8!) USER MOD Single : A 98 ASN : amide:sc= 0.83 K(o=0.83,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.00993 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0198 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -7.116 4.207 9.471 1.00 64.11 N ATOM 116 CA ILE A 10 -5.827 3.947 8.847 1.00 31.40 C ATOM 117 C ILE A 10 -5.267 5.246 8.249 1.00 64.22 C ATOM 118 O ILE A 10 -5.997 5.982 7.575 1.00 24.35 O ATOM 119 CB ILE A 10 -6.002 2.857 7.764 1.00 34.03 C ATOM 120 CG1 ILE A 10 -6.560 1.531 8.333 1.00 73.42 C ATOM 121 CG2 ILE A 10 -4.677 2.566 7.036 1.00 1.43 C ATOM 122 CD1 ILE A 10 -7.406 0.790 7.289 1.00 60.01 C ATOM 0 HA ILE A 10 -5.115 3.588 9.590 1.00 31.40 H new ATOM 0 HB ILE A 10 -6.728 3.261 7.059 1.00 34.03 H new ATOM 0 HG12 ILE A 10 -5.735 0.895 8.654 1.00 73.42 H new ATOM 0 HG13 ILE A 10 -7.166 1.737 9.215 1.00 73.42 H new ATOM 0 HG21 ILE A 10 -4.838 1.795 6.282 1.00 1.43 H new ATOM 0 HG22 ILE A 10 -4.319 3.476 6.554 1.00 1.43 H new ATOM 0 HG23 ILE A 10 -3.935 2.220 7.756 1.00 1.43 H new ATOM 0 HD11 ILE A 10 -7.784 -0.138 7.719 1.00 60.01 H new ATOM 0 HD12 ILE A 10 -8.244 1.418 6.988 1.00 60.01 H new ATOM 0 HD13 ILE A 10 -6.792 0.562 6.418 1.00 60.01 H new ATOM 134 N LYS A 11 -3.964 5.490 8.444 1.00 54.01 N ATOM 135 CA LYS A 11 -3.192 6.579 7.841 1.00 64.22 C ATOM 136 C LYS A 11 -1.923 6.114 7.130 1.00 55.22 C ATOM 137 O LYS A 11 -1.116 6.934 6.689 1.00 5.41 O ATOM 138 CB LYS A 11 -2.822 7.615 8.906 1.00 34.03 C ATOM 139 CG LYS A 11 -4.004 8.145 9.719 1.00 14.24 C ATOM 140 CD LYS A 11 -3.988 7.662 11.171 1.00 21.05 C ATOM 141 CE LYS A 11 -5.197 8.218 11.928 1.00 64.51 C ATOM 142 NZ LYS A 11 -5.160 9.687 12.088 1.00 50.41 N ATOM 0 H LYS A 11 -3.395 4.905 9.056 1.00 54.01 H new ATOM 0 HA LYS A 11 -3.838 7.019 7.081 1.00 64.22 H new ATOM 0 HB2 LYS A 11 -2.098 7.171 9.589 1.00 34.03 H new ATOM 0 HB3 LYS A 11 -2.327 8.455 8.420 1.00 34.03 H new ATOM 0 HG2 LYS A 11 -3.991 9.235 9.703 1.00 14.24 H new ATOM 0 HG3 LYS A 11 -4.935 7.831 9.246 1.00 14.24 H new ATOM 0 HD2 LYS A 11 -4.002 6.572 11.199 1.00 21.05 H new ATOM 0 HD3 LYS A 11 -3.067 7.982 11.658 1.00 21.05 H new ATOM 0 HE2 LYS A 11 -6.108 7.940 11.398 1.00 64.51 H new ATOM 0 HE3 LYS A 11 -5.246 7.753 12.913 1.00 64.51 H new ATOM 0 HZ1 LYS A 11 -5.908 9.983 12.747 1.00 50.41 H new ATOM 0 HZ2 LYS A 11 -4.233 9.972 12.464 1.00 50.41 H new ATOM 0 HZ3 LYS A 11 -5.313 10.141 11.165 1.00 50.41 H new ATOM 156 N GLU A 12 -1.741 4.812 6.997 1.00 21.15 N ATOM 157 CA GLU A 12 -0.596 4.197 6.337 1.00 65.45 C ATOM 158 C GLU A 12 -0.948 2.742 6.026 1.00 13.34 C ATOM 159 O GLU A 12 -1.291 1.983 6.933 1.00 52.34 O ATOM 160 CB GLU A 12 0.657 4.331 7.235 1.00 33.13 C ATOM 161 CG GLU A 12 1.976 3.957 6.538 1.00 75.13 C ATOM 162 CD GLU A 12 3.246 4.451 7.247 1.00 54.33 C ATOM 163 OE1 GLU A 12 3.185 5.159 8.279 1.00 31.40 O ATOM 164 OE2 GLU A 12 4.361 4.119 6.781 1.00 32.22 O ATOM 0 H GLU A 12 -2.407 4.128 7.357 1.00 21.15 H new ATOM 0 HA GLU A 12 -0.363 4.699 5.398 1.00 65.45 H new ATOM 0 HB2 GLU A 12 0.726 5.359 7.591 1.00 33.13 H new ATOM 0 HB3 GLU A 12 0.531 3.697 8.113 1.00 33.13 H new ATOM 0 HG2 GLU A 12 2.027 2.872 6.447 1.00 75.13 H new ATOM 0 HG3 GLU A 12 1.962 4.361 5.526 1.00 75.13 H new ATOM 171 N ILE A 13 -0.893 2.341 4.757 1.00 22.22 N ATOM 172 CA ILE A 13 -1.166 0.979 4.281 1.00 3.24 C ATOM 173 C ILE A 13 0.171 0.235 4.107 1.00 13.14 C ATOM 174 O ILE A 13 1.229 0.822 4.374 1.00 70.33 O ATOM 175 CB ILE A 13 -2.010 1.058 2.986 1.00 42.22 C ATOM 176 CG1 ILE A 13 -1.226 1.759 1.856 1.00 21.14 C ATOM 177 CG2 ILE A 13 -3.348 1.758 3.274 1.00 41.11 C ATOM 178 CD1 ILE A 13 -1.773 1.454 0.465 1.00 22.13 C ATOM 0 H ILE A 13 -0.648 2.979 4.000 1.00 22.22 H new ATOM 0 HA ILE A 13 -1.752 0.408 5.001 1.00 3.24 H new ATOM 0 HB ILE A 13 -2.225 0.046 2.642 1.00 42.22 H new ATOM 0 HG12 ILE A 13 -1.250 2.836 2.020 1.00 21.14 H new ATOM 0 HG13 ILE A 13 -0.181 1.452 1.904 1.00 21.14 H new ATOM 0 HG21 ILE A 13 -3.936 1.810 2.358 1.00 41.11 H new ATOM 0 HG22 ILE A 13 -3.899 1.195 4.027 1.00 41.11 H new ATOM 0 HG23 ILE A 13 -3.159 2.767 3.641 1.00 41.11 H new ATOM 0 HD11 ILE A 13 -1.177 1.977 -0.283 1.00 22.13 H new ATOM 0 HD12 ILE A 13 -1.724 0.381 0.282 1.00 22.13 H new ATOM 0 HD13 ILE A 13 -2.809 1.786 0.401 1.00 22.13 H new ATOM 190 N ILE A 14 0.152 -1.031 3.682 1.00 21.43 N ATOM 191 CA ILE A 14 1.381 -1.759 3.342 1.00 53.22 C ATOM 192 C ILE A 14 1.047 -2.742 2.229 1.00 71.41 C ATOM 193 O ILE A 14 0.270 -3.684 2.418 1.00 74.23 O ATOM 194 CB ILE A 14 2.061 -2.496 4.531 1.00 14.44 C ATOM 195 CG1 ILE A 14 2.020 -1.743 5.880 1.00 4.11 C ATOM 196 CG2 ILE A 14 3.514 -2.881 4.198 1.00 52.34 C ATOM 197 CD1 ILE A 14 2.476 -2.567 7.089 1.00 23.24 C ATOM 0 H ILE A 14 -0.702 -1.576 3.564 1.00 21.43 H new ATOM 0 HA ILE A 14 2.116 -1.018 3.028 1.00 53.22 H new ATOM 0 HB ILE A 14 1.456 -3.392 4.667 1.00 14.44 H new ATOM 0 HG12 ILE A 14 2.649 -0.856 5.804 1.00 4.11 H new ATOM 0 HG13 ILE A 14 1.001 -1.397 6.057 1.00 4.11 H new ATOM 0 HG21 ILE A 14 3.959 -3.394 5.051 1.00 52.34 H new ATOM 0 HG22 ILE A 14 3.526 -3.541 3.331 1.00 52.34 H new ATOM 0 HG23 ILE A 14 4.087 -1.981 3.977 1.00 52.34 H new ATOM 0 HD11 ILE A 14 2.413 -1.957 7.990 1.00 23.24 H new ATOM 0 HD12 ILE A 14 1.833 -3.441 7.197 1.00 23.24 H new ATOM 0 HD13 ILE A 14 3.506 -2.891 6.941 1.00 23.24 H new ATOM 209 N ILE A 15 1.597 -2.524 1.038 1.00 35.31 N ATOM 210 CA ILE A 15 1.482 -3.490 -0.043 1.00 14.43 C ATOM 211 C ILE A 15 2.295 -4.696 0.413 1.00 75.02 C ATOM 212 O ILE A 15 3.515 -4.583 0.605 1.00 0.34 O ATOM 213 CB ILE A 15 2.020 -2.899 -1.362 1.00 41.21 C ATOM 214 CG1 ILE A 15 1.431 -1.517 -1.723 1.00 25.25 C ATOM 215 CG2 ILE A 15 1.823 -3.912 -2.501 1.00 74.23 C ATOM 216 CD1 ILE A 15 -0.092 -1.392 -1.649 1.00 53.21 C ATOM 0 H ILE A 15 2.127 -1.685 0.800 1.00 35.31 H new ATOM 0 HA ILE A 15 0.447 -3.766 -0.245 1.00 14.43 H new ATOM 0 HB ILE A 15 3.084 -2.716 -1.214 1.00 41.21 H new ATOM 0 HG12 ILE A 15 1.869 -0.773 -1.057 1.00 25.25 H new ATOM 0 HG13 ILE A 15 1.747 -1.264 -2.735 1.00 25.25 H new ATOM 0 HG21 ILE A 15 2.204 -3.492 -3.432 1.00 74.23 H new ATOM 0 HG22 ILE A 15 2.363 -4.830 -2.269 1.00 74.23 H new ATOM 0 HG23 ILE A 15 0.762 -4.134 -2.611 1.00 74.23 H new ATOM 0 HD11 ILE A 15 -0.388 -0.379 -1.923 1.00 53.21 H new ATOM 0 HD12 ILE A 15 -0.549 -2.103 -2.337 1.00 53.21 H new ATOM 0 HD13 ILE A 15 -0.426 -1.605 -0.633 1.00 53.21 H new ATOM 228 N GLN A 16 1.640 -5.832 0.656 1.00 60.15 N ATOM 229 CA GLN A 16 2.355 -7.005 1.099 1.00 53.44 C ATOM 230 C GLN A 16 3.237 -7.514 -0.045 1.00 64.51 C ATOM 231 O GLN A 16 2.909 -7.380 -1.220 1.00 52.25 O ATOM 232 CB GLN A 16 1.400 -8.078 1.653 1.00 31.23 C ATOM 233 CG GLN A 16 2.029 -8.624 2.943 1.00 72.41 C ATOM 234 CD GLN A 16 1.393 -9.867 3.533 1.00 33.51 C ATOM 235 OE1 GLN A 16 0.591 -10.539 2.903 1.00 65.23 O ATOM 236 NE2 GLN A 16 1.873 -10.251 4.706 1.00 71.12 N ATOM 0 H GLN A 16 0.633 -5.954 0.553 1.00 60.15 H new ATOM 0 HA GLN A 16 3.005 -6.744 1.934 1.00 53.44 H new ATOM 0 HB2 GLN A 16 0.418 -7.651 1.855 1.00 31.23 H new ATOM 0 HB3 GLN A 16 1.257 -8.878 0.926 1.00 31.23 H new ATOM 0 HG2 GLN A 16 3.079 -8.839 2.746 1.00 72.41 H new ATOM 0 HG3 GLN A 16 2.001 -7.836 3.696 1.00 72.41 H new ATOM 0 HE21 GLN A 16 2.542 -9.661 5.201 1.00 71.12 H new ATOM 0 HE22 GLN A 16 1.574 -11.137 5.114 1.00 71.12 H new ATOM 245 N GLY A 17 4.372 -8.133 0.286 1.00 72.32 N ATOM 246 CA GLY A 17 5.233 -8.791 -0.697 1.00 63.03 C ATOM 247 C GLY A 17 4.744 -10.187 -1.063 1.00 4.53 C ATOM 248 O GLY A 17 5.521 -10.965 -1.627 1.00 52.20 O ATOM 0 H GLY A 17 4.720 -8.192 1.243 1.00 72.32 H new ATOM 0 HA2 GLY A 17 5.283 -8.180 -1.598 1.00 63.03 H new ATOM 0 HA3 GLY A 17 6.246 -8.857 -0.301 1.00 63.03 H new ATOM 252 N LEU A 18 3.510 -10.522 -0.684 1.00 65.21 N ATOM 253 CA LEU A 18 2.902 -11.806 -0.612 1.00 34.40 C ATOM 254 C LEU A 18 1.684 -11.816 -1.540 1.00 32.43 C ATOM 255 O LEU A 18 0.996 -10.802 -1.648 1.00 12.33 O ATOM 256 CB LEU A 18 2.509 -11.999 0.876 1.00 41.24 C ATOM 257 CG LEU A 18 3.028 -13.251 1.600 1.00 40.53 C ATOM 258 CD1 LEU A 18 2.341 -13.435 2.953 1.00 65.35 C ATOM 259 CD2 LEU A 18 2.720 -14.358 0.696 1.00 74.53 C ATOM 0 H LEU A 18 2.855 -9.797 -0.390 1.00 65.21 H new ATOM 0 HA LEU A 18 3.556 -12.618 -0.930 1.00 34.40 H new ATOM 0 HB2 LEU A 18 2.854 -11.126 1.429 1.00 41.24 H new ATOM 0 HB3 LEU A 18 1.421 -12.005 0.936 1.00 41.24 H new ATOM 0 HG LEU A 18 4.094 -13.184 1.818 1.00 40.53 H new ATOM 0 HD11 LEU A 18 2.730 -14.329 3.440 1.00 65.35 H new ATOM 0 HD12 LEU A 18 2.536 -12.566 3.581 1.00 65.35 H new ATOM 0 HD13 LEU A 18 1.266 -13.541 2.804 1.00 65.35 H new ATOM 0 HD21 LEU A 18 3.059 -15.294 1.139 1.00 74.53 H new ATOM 0 HD22 LEU A 18 1.644 -14.404 0.530 1.00 74.53 H new ATOM 0 HD23 LEU A 18 3.227 -14.202 -0.256 1.00 74.53 H new ATOM 271 N THR A 19 1.446 -12.922 -2.247 1.00 31.45 N ATOM 272 CA THR A 19 0.351 -13.023 -3.208 1.00 65.14 C ATOM 273 C THR A 19 -0.984 -13.281 -2.498 1.00 74.31 C ATOM 274 O THR A 19 -1.026 -13.706 -1.337 1.00 63.31 O ATOM 275 CB THR A 19 0.624 -14.139 -4.249 1.00 34.34 C ATOM 276 OG1 THR A 19 0.681 -15.424 -3.642 1.00 10.41 O ATOM 277 CG2 THR A 19 1.910 -13.933 -5.063 1.00 24.01 C ATOM 0 H THR A 19 2.007 -13.770 -2.168 1.00 31.45 H new ATOM 0 HA THR A 19 0.286 -12.069 -3.732 1.00 65.14 H new ATOM 0 HB THR A 19 -0.222 -14.079 -4.934 1.00 34.34 H new ATOM 0 HG1 THR A 19 0.853 -16.102 -4.328 1.00 10.41 H new ATOM 0 HG21 THR A 19 2.030 -14.755 -5.769 1.00 24.01 H new ATOM 0 HG22 THR A 19 1.848 -12.992 -5.610 1.00 24.01 H new ATOM 0 HG23 THR A 19 2.766 -13.905 -4.389 1.00 24.01 H new ATOM 285 N ARG A 20 -2.074 -13.176 -3.266 1.00 1.03 N ATOM 286 CA ARG A 20 -3.391 -13.736 -2.962 1.00 71.45 C ATOM 287 C ARG A 20 -3.388 -15.232 -2.644 1.00 1.32 C ATOM 288 O ARG A 20 -4.332 -15.751 -2.059 1.00 75.31 O ATOM 289 CB ARG A 20 -4.340 -13.478 -4.133 1.00 15.02 C ATOM 290 CG ARG A 20 -3.930 -14.134 -5.463 1.00 53.44 C ATOM 291 CD ARG A 20 -4.901 -13.721 -6.574 1.00 41.15 C ATOM 292 NE ARG A 20 -5.929 -14.728 -6.865 1.00 71.11 N ATOM 293 CZ ARG A 20 -7.229 -14.655 -6.557 1.00 3.42 C ATOM 294 NH1 ARG A 20 -7.708 -13.747 -5.712 1.00 13.22 N ATOM 295 NH2 ARG A 20 -8.074 -15.517 -7.105 1.00 4.20 N ATOM 0 H ARG A 20 -2.059 -12.676 -4.155 1.00 1.03 H new ATOM 0 HA ARG A 20 -3.724 -13.231 -2.055 1.00 71.45 H new ATOM 0 HB2 ARG A 20 -5.333 -13.835 -3.861 1.00 15.02 H new ATOM 0 HB3 ARG A 20 -4.419 -12.402 -4.286 1.00 15.02 H new ATOM 0 HG2 ARG A 20 -2.915 -13.836 -5.727 1.00 53.44 H new ATOM 0 HG3 ARG A 20 -3.927 -15.219 -5.357 1.00 53.44 H new ATOM 0 HD2 ARG A 20 -5.389 -12.789 -6.290 1.00 41.15 H new ATOM 0 HD3 ARG A 20 -4.334 -13.520 -7.483 1.00 41.15 H new ATOM 0 HE ARG A 20 -5.621 -15.570 -7.352 1.00 71.11 H new ATOM 0 HH11 ARG A 20 -7.078 -13.075 -5.274 1.00 13.22 H new ATOM 0 HH12 ARG A 20 -8.706 -13.722 -5.502 1.00 13.22 H new ATOM 0 HH21 ARG A 20 -7.731 -16.226 -7.753 1.00 4.20 H new ATOM 0 HH22 ARG A 20 -9.067 -15.472 -6.878 1.00 4.20 H new ATOM 309 N ALA A 21 -2.356 -15.957 -3.067 1.00 51.20 N ATOM 310 CA ALA A 21 -2.155 -17.369 -2.773 1.00 42.04 C ATOM 311 C ALA A 21 -1.166 -17.578 -1.627 1.00 72.32 C ATOM 312 O ALA A 21 -0.695 -18.700 -1.436 1.00 41.23 O ATOM 313 CB ALA A 21 -1.704 -18.113 -4.030 1.00 24.15 C ATOM 0 H ALA A 21 -1.613 -15.562 -3.643 1.00 51.20 H new ATOM 0 HA ALA A 21 -3.110 -17.780 -2.447 1.00 42.04 H new ATOM 0 HB1 ALA A 21 -1.557 -19.167 -3.796 1.00 24.15 H new ATOM 0 HB2 ALA A 21 -2.466 -18.016 -4.803 1.00 24.15 H new ATOM 0 HB3 ALA A 21 -0.767 -17.687 -4.388 1.00 24.15 H new ATOM 319 N GLY A 22 -0.801 -16.535 -0.885 1.00 1.54 N ATOM 320 CA GLY A 22 -0.063 -16.686 0.354 1.00 15.35 C ATOM 321 C GLY A 22 1.392 -17.077 0.170 1.00 70.34 C ATOM 322 O GLY A 22 1.979 -17.635 1.103 1.00 21.54 O ATOM 0 H GLY A 22 -1.010 -15.567 -1.130 1.00 1.54 H new ATOM 0 HA2 GLY A 22 -0.108 -15.748 0.907 1.00 15.35 H new ATOM 0 HA3 GLY A 22 -0.555 -17.441 0.967 1.00 15.35 H new ATOM 326 N LYS A 23 2.010 -16.756 -0.981 1.00 12.20 N ATOM 327 CA LYS A 23 3.458 -16.877 -1.139 1.00 70.21 C ATOM 328 C LYS A 23 4.139 -15.698 -1.775 1.00 33.11 C ATOM 329 O LYS A 23 3.484 -14.918 -2.453 1.00 34.31 O ATOM 330 CB LYS A 23 3.770 -18.087 -2.031 1.00 61.30 C ATOM 331 CG LYS A 23 3.770 -19.414 -1.269 1.00 1.32 C ATOM 332 CD LYS A 23 2.431 -20.161 -1.361 1.00 74.22 C ATOM 333 CE LYS A 23 2.393 -21.468 -0.565 1.00 33.42 C ATOM 334 NZ LYS A 23 3.342 -22.491 -1.052 1.00 32.44 N ATOM 0 H LYS A 23 1.525 -16.412 -1.810 1.00 12.20 H new ATOM 0 HA LYS A 23 3.838 -16.967 -0.121 1.00 70.21 H new ATOM 0 HB2 LYS A 23 3.035 -18.137 -2.834 1.00 61.30 H new ATOM 0 HB3 LYS A 23 4.744 -17.944 -2.498 1.00 61.30 H new ATOM 0 HG2 LYS A 23 4.563 -20.051 -1.661 1.00 1.32 H new ATOM 0 HG3 LYS A 23 4.002 -19.224 -0.221 1.00 1.32 H new ATOM 0 HD2 LYS A 23 1.636 -19.506 -1.004 1.00 74.22 H new ATOM 0 HD3 LYS A 23 2.219 -20.378 -2.408 1.00 74.22 H new ATOM 0 HE2 LYS A 23 2.611 -21.252 0.481 1.00 33.42 H new ATOM 0 HE3 LYS A 23 1.383 -21.876 -0.602 1.00 33.42 H new ATOM 0 HZ1 LYS A 23 3.261 -23.347 -0.467 1.00 32.44 H new ATOM 0 HZ2 LYS A 23 3.122 -22.726 -2.041 1.00 32.44 H new ATOM 0 HZ3 LYS A 23 4.312 -22.121 -0.992 1.00 32.44 H new ATOM 348 N PRO A 24 5.424 -15.481 -1.459 1.00 14.53 N ATOM 349 CA PRO A 24 5.996 -14.178 -1.670 1.00 71.53 C ATOM 350 C PRO A 24 6.468 -14.045 -3.112 1.00 70.52 C ATOM 351 O PRO A 24 7.154 -14.903 -3.668 1.00 42.23 O ATOM 352 CB PRO A 24 7.065 -14.060 -0.606 1.00 71.22 C ATOM 353 CG PRO A 24 7.597 -15.487 -0.480 1.00 55.45 C ATOM 354 CD PRO A 24 6.299 -16.283 -0.603 1.00 11.51 C ATOM 0 HA PRO A 24 5.300 -13.346 -1.561 1.00 71.53 H new ATOM 0 HB2 PRO A 24 7.850 -13.363 -0.900 1.00 71.22 H new ATOM 0 HB3 PRO A 24 6.655 -13.699 0.337 1.00 71.22 H new ATOM 0 HG2 PRO A 24 8.310 -15.734 -1.266 1.00 55.45 H new ATOM 0 HG3 PRO A 24 8.100 -15.659 0.472 1.00 55.45 H new ATOM 0 HD2 PRO A 24 6.481 -17.265 -1.040 1.00 11.51 H new ATOM 0 HD3 PRO A 24 5.846 -16.448 0.375 1.00 11.51 H new ATOM 362 N PHE A 25 6.058 -12.946 -3.719 1.00 20.01 N ATOM 363 CA PHE A 25 6.146 -12.655 -5.139 1.00 45.24 C ATOM 364 C PHE A 25 7.576 -12.238 -5.523 1.00 24.52 C ATOM 365 O PHE A 25 8.301 -11.717 -4.663 1.00 12.43 O ATOM 366 CB PHE A 25 5.135 -11.525 -5.340 1.00 1.11 C ATOM 367 CG PHE A 25 5.044 -10.961 -6.738 1.00 25.44 C ATOM 368 CD1 PHE A 25 4.248 -11.603 -7.703 1.00 73.53 C ATOM 369 CD2 PHE A 25 5.714 -9.767 -7.061 1.00 64.52 C ATOM 370 CE1 PHE A 25 4.141 -11.060 -8.993 1.00 70.24 C ATOM 371 CE2 PHE A 25 5.601 -9.234 -8.355 1.00 2.31 C ATOM 372 CZ PHE A 25 4.837 -9.891 -9.332 1.00 5.54 C ATOM 0 H PHE A 25 5.626 -12.182 -3.199 1.00 20.01 H new ATOM 0 HA PHE A 25 5.925 -13.514 -5.772 1.00 45.24 H new ATOM 0 HB2 PHE A 25 4.149 -11.890 -5.052 1.00 1.11 H new ATOM 0 HB3 PHE A 25 5.386 -10.713 -4.657 1.00 1.11 H new ATOM 0 HD1 PHE A 25 3.720 -12.511 -7.452 1.00 73.53 H new ATOM 0 HD2 PHE A 25 6.313 -9.263 -6.317 1.00 64.52 H new ATOM 0 HE1 PHE A 25 3.518 -11.546 -9.729 1.00 70.24 H new ATOM 0 HE2 PHE A 25 6.106 -8.311 -8.600 1.00 2.31 H new ATOM 0 HZ PHE A 25 4.786 -9.499 -10.337 1.00 5.54 H new ATOM 382 N ARG A 26 8.011 -12.463 -6.771 1.00 3.20 N ATOM 383 CA ARG A 26 9.299 -12.006 -7.289 1.00 30.32 C ATOM 384 C ARG A 26 9.147 -10.907 -8.350 1.00 1.33 C ATOM 385 O ARG A 26 8.120 -10.880 -9.025 1.00 32.31 O ATOM 386 CB ARG A 26 10.082 -13.181 -7.874 1.00 74.41 C ATOM 387 CG ARG A 26 10.778 -14.002 -6.782 1.00 70.34 C ATOM 388 CD ARG A 26 12.069 -14.594 -7.339 1.00 5.14 C ATOM 389 NE ARG A 26 11.834 -15.711 -8.266 1.00 70.32 N ATOM 390 CZ ARG A 26 11.766 -17.001 -7.921 1.00 65.21 C ATOM 391 NH1 ARG A 26 11.772 -17.359 -6.636 1.00 4.50 N ATOM 392 NH2 ARG A 26 11.676 -17.923 -8.875 1.00 20.22 N ATOM 0 H ARG A 26 7.462 -12.979 -7.459 1.00 3.20 H new ATOM 0 HA ARG A 26 9.846 -11.579 -6.448 1.00 30.32 H new ATOM 0 HB2 ARG A 26 9.406 -13.824 -8.437 1.00 74.41 H new ATOM 0 HB3 ARG A 26 10.826 -12.808 -8.578 1.00 74.41 H new ATOM 0 HG2 ARG A 26 10.996 -13.371 -5.921 1.00 70.34 H new ATOM 0 HG3 ARG A 26 10.120 -14.798 -6.435 1.00 70.34 H new ATOM 0 HD2 ARG A 26 12.628 -13.813 -7.854 1.00 5.14 H new ATOM 0 HD3 ARG A 26 12.691 -14.939 -6.513 1.00 5.14 H new ATOM 0 HE ARG A 26 11.713 -15.483 -9.253 1.00 70.32 H new ATOM 0 HH11 ARG A 26 11.829 -16.646 -5.908 1.00 4.50 H new ATOM 0 HH12 ARG A 26 11.720 -18.345 -6.381 1.00 4.50 H new ATOM 0 HH21 ARG A 26 11.660 -17.642 -9.856 1.00 20.22 H new ATOM 0 HH22 ARG A 26 11.623 -18.911 -8.626 1.00 20.22 H new ATOM 406 N PRO A 27 10.174 -10.066 -8.587 1.00 44.44 N ATOM 407 CA PRO A 27 11.513 -10.137 -7.999 1.00 41.20 C ATOM 408 C PRO A 27 11.445 -9.861 -6.501 1.00 74.13 C ATOM 409 O PRO A 27 10.490 -9.244 -6.036 1.00 35.32 O ATOM 410 CB PRO A 27 12.334 -9.067 -8.726 1.00 63.42 C ATOM 411 CG PRO A 27 11.285 -8.031 -9.112 1.00 61.43 C ATOM 412 CD PRO A 27 10.072 -8.897 -9.446 1.00 2.03 C ATOM 0 HA PRO A 27 11.963 -11.123 -8.112 1.00 41.20 H new ATOM 0 HB2 PRO A 27 13.103 -8.641 -8.081 1.00 63.42 H new ATOM 0 HB3 PRO A 27 12.841 -9.473 -9.601 1.00 63.42 H new ATOM 0 HG2 PRO A 27 11.078 -7.340 -8.295 1.00 61.43 H new ATOM 0 HG3 PRO A 27 11.602 -7.431 -9.965 1.00 61.43 H new ATOM 0 HD2 PRO A 27 9.143 -8.357 -9.263 1.00 2.03 H new ATOM 0 HD3 PRO A 27 10.073 -9.183 -10.498 1.00 2.03 H new ATOM 420 N SER A 28 12.414 -10.346 -5.726 1.00 55.41 N ATOM 421 CA SER A 28 12.458 -10.051 -4.299 1.00 32.25 C ATOM 422 C SER A 28 12.503 -8.540 -4.100 1.00 72.33 C ATOM 423 O SER A 28 11.767 -7.970 -3.297 1.00 61.21 O ATOM 424 CB SER A 28 13.674 -10.752 -3.689 1.00 72.44 C ATOM 425 OG SER A 28 14.809 -10.692 -4.534 1.00 70.21 O ATOM 0 H SER A 28 13.172 -10.940 -6.061 1.00 55.41 H new ATOM 0 HA SER A 28 11.566 -10.422 -3.794 1.00 32.25 H new ATOM 0 HB2 SER A 28 13.913 -10.292 -2.730 1.00 72.44 H new ATOM 0 HB3 SER A 28 13.427 -11.795 -3.489 1.00 72.44 H new ATOM 0 HG SER A 28 15.098 -9.760 -4.628 1.00 70.21 H new ATOM 431 N ASP A 29 13.326 -7.908 -4.921 1.00 73.33 N ATOM 432 CA ASP A 29 13.785 -6.542 -4.820 1.00 44.43 C ATOM 433 C ASP A 29 12.751 -5.569 -5.403 1.00 60.01 C ATOM 434 O ASP A 29 13.074 -4.404 -5.644 1.00 65.52 O ATOM 435 CB ASP A 29 15.144 -6.444 -5.533 1.00 1.31 C ATOM 436 CG ASP A 29 16.266 -7.281 -4.907 1.00 4.21 C ATOM 437 OD1 ASP A 29 16.024 -8.370 -4.338 1.00 41.33 O ATOM 438 OD2 ASP A 29 17.443 -6.869 -5.013 1.00 61.14 O ATOM 0 H ASP A 29 13.718 -8.378 -5.737 1.00 73.33 H new ATOM 0 HA ASP A 29 13.908 -6.258 -3.775 1.00 44.43 H new ATOM 0 HB2 ASP A 29 15.016 -6.753 -6.570 1.00 1.31 H new ATOM 0 HB3 ASP A 29 15.455 -5.399 -5.548 1.00 1.31 H new ATOM 443 N TRP A 30 11.507 -6.022 -5.625 1.00 22.44 N ATOM 444 CA TRP A 30 10.385 -5.200 -6.066 1.00 13.12 C ATOM 445 C TRP A 30 10.180 -4.007 -5.126 1.00 21.25 C ATOM 446 O TRP A 30 9.866 -2.902 -5.560 1.00 35.33 O ATOM 447 CB TRP A 30 9.109 -6.060 -6.169 1.00 41.15 C ATOM 448 CG TRP A 30 8.374 -6.377 -4.891 1.00 4.01 C ATOM 449 CD1 TRP A 30 8.424 -7.527 -4.178 1.00 72.00 C ATOM 450 CD2 TRP A 30 7.408 -5.534 -4.196 1.00 42.40 C ATOM 451 NE1 TRP A 30 7.594 -7.434 -3.077 1.00 31.10 N ATOM 452 CE2 TRP A 30 6.922 -6.227 -3.048 1.00 24.42 C ATOM 453 CE3 TRP A 30 6.883 -4.249 -4.446 1.00 24.33 C ATOM 454 CZ2 TRP A 30 5.979 -5.652 -2.179 1.00 3.12 C ATOM 455 CZ3 TRP A 30 5.926 -3.676 -3.592 1.00 62.03 C ATOM 456 CH2 TRP A 30 5.481 -4.376 -2.463 1.00 21.13 C ATOM 0 H TRP A 30 11.254 -7.002 -5.497 1.00 22.44 H new ATOM 0 HA TRP A 30 10.609 -4.801 -7.055 1.00 13.12 H new ATOM 0 HB2 TRP A 30 8.415 -5.552 -6.838 1.00 41.15 H new ATOM 0 HB3 TRP A 30 9.377 -7.003 -6.645 1.00 41.15 H new ATOM 0 HD1 TRP A 30 9.023 -8.389 -4.432 1.00 72.00 H new ATOM 0 HE1 TRP A 30 7.490 -8.165 -2.373 1.00 31.10 H new ATOM 0 HE3 TRP A 30 7.223 -3.696 -5.309 1.00 24.33 H new ATOM 0 HZ2 TRP A 30 5.643 -6.188 -1.304 1.00 3.12 H new ATOM 0 HZ3 TRP A 30 5.532 -2.693 -3.806 1.00 62.03 H new ATOM 0 HH2 TRP A 30 4.749 -3.928 -1.808 1.00 21.13 H new ATOM 467 N VAL A 31 10.409 -4.221 -3.832 1.00 11.42 N ATOM 468 CA VAL A 31 10.286 -3.214 -2.790 1.00 73.43 C ATOM 469 C VAL A 31 11.243 -2.039 -3.066 1.00 73.54 C ATOM 470 O VAL A 31 10.889 -0.886 -2.813 1.00 23.51 O ATOM 471 CB VAL A 31 10.502 -3.938 -1.442 1.00 42.33 C ATOM 472 CG1 VAL A 31 10.541 -3.020 -0.229 1.00 42.14 C ATOM 473 CG2 VAL A 31 9.375 -4.955 -1.211 1.00 74.45 C ATOM 0 H VAL A 31 10.695 -5.132 -3.472 1.00 11.42 H new ATOM 0 HA VAL A 31 9.300 -2.750 -2.763 1.00 73.43 H new ATOM 0 HB VAL A 31 11.480 -4.410 -1.529 1.00 42.33 H new ATOM 0 HG11 VAL A 31 10.696 -3.614 0.672 1.00 42.14 H new ATOM 0 HG12 VAL A 31 11.358 -2.307 -0.339 1.00 42.14 H new ATOM 0 HG13 VAL A 31 9.597 -2.481 -0.150 1.00 42.14 H new ATOM 0 HG21 VAL A 31 9.532 -5.463 -0.259 1.00 74.45 H new ATOM 0 HG22 VAL A 31 8.416 -4.437 -1.192 1.00 74.45 H new ATOM 0 HG23 VAL A 31 9.376 -5.688 -2.018 1.00 74.45 H new ATOM 483 N ASP A 32 12.422 -2.303 -3.642 1.00 33.03 N ATOM 484 CA ASP A 32 13.406 -1.276 -4.000 1.00 55.14 C ATOM 485 C ASP A 32 13.143 -0.695 -5.393 1.00 73.05 C ATOM 486 O ASP A 32 13.614 0.397 -5.718 1.00 51.23 O ATOM 487 CB ASP A 32 14.822 -1.869 -3.990 1.00 74.20 C ATOM 488 CG ASP A 32 15.502 -1.812 -2.619 1.00 44.21 C ATOM 489 OD1 ASP A 32 15.319 -0.842 -1.857 1.00 51.51 O ATOM 490 OD2 ASP A 32 16.299 -2.722 -2.297 1.00 33.52 O ATOM 0 H ASP A 32 12.723 -3.249 -3.875 1.00 33.03 H new ATOM 0 HA ASP A 32 13.316 -0.481 -3.260 1.00 55.14 H new ATOM 0 HB2 ASP A 32 14.774 -2.907 -4.320 1.00 74.20 H new ATOM 0 HB3 ASP A 32 15.436 -1.333 -4.713 1.00 74.20 H new ATOM 495 N ARG A 33 12.392 -1.409 -6.236 1.00 32.20 N ATOM 496 CA ARG A 33 11.968 -0.880 -7.532 1.00 21.32 C ATOM 497 C ARG A 33 10.980 0.241 -7.269 1.00 34.24 C ATOM 498 O ARG A 33 11.109 1.333 -7.821 1.00 74.11 O ATOM 499 CB ARG A 33 11.358 -1.983 -8.412 1.00 40.13 C ATOM 500 CG ARG A 33 12.423 -2.962 -8.925 1.00 52.43 C ATOM 501 CD ARG A 33 12.815 -2.643 -10.374 1.00 2.42 C ATOM 502 NE ARG A 33 14.104 -3.255 -10.741 1.00 25.43 N ATOM 503 CZ ARG A 33 15.282 -2.613 -10.786 1.00 71.54 C ATOM 504 NH1 ARG A 33 15.384 -1.347 -10.396 1.00 4.54 N ATOM 505 NH2 ARG A 33 16.376 -3.234 -11.213 1.00 14.20 N ATOM 0 H ARG A 33 12.066 -2.356 -6.042 1.00 32.20 H new ATOM 0 HA ARG A 33 12.826 -0.495 -8.083 1.00 21.32 H new ATOM 0 HB2 ARG A 33 10.608 -2.530 -7.841 1.00 40.13 H new ATOM 0 HB3 ARG A 33 10.845 -1.529 -9.259 1.00 40.13 H new ATOM 0 HG2 ARG A 33 13.305 -2.911 -8.287 1.00 52.43 H new ATOM 0 HG3 ARG A 33 12.043 -3.982 -8.864 1.00 52.43 H new ATOM 0 HD2 ARG A 33 12.037 -3.002 -11.048 1.00 2.42 H new ATOM 0 HD3 ARG A 33 12.876 -1.563 -10.504 1.00 2.42 H new ATOM 0 HE ARG A 33 14.101 -4.247 -10.980 1.00 25.43 H new ATOM 0 HH11 ARG A 33 14.560 -0.850 -10.057 1.00 4.54 H new ATOM 0 HH12 ARG A 33 16.286 -0.872 -10.436 1.00 4.54 H new ATOM 0 HH21 ARG A 33 16.326 -4.208 -11.511 1.00 14.20 H new ATOM 0 HH22 ARG A 33 17.266 -2.737 -11.243 1.00 14.20 H new ATOM 519 N MET A 34 9.999 -0.009 -6.402 1.00 51.11 N ATOM 520 CA MET A 34 8.970 0.981 -6.117 1.00 10.42 C ATOM 521 C MET A 34 9.591 2.230 -5.498 1.00 52.31 C ATOM 522 O MET A 34 9.342 3.315 -6.017 1.00 65.24 O ATOM 523 CB MET A 34 7.865 0.407 -5.226 1.00 71.33 C ATOM 524 CG MET A 34 7.130 -0.766 -5.887 1.00 62.32 C ATOM 525 SD MET A 34 6.499 -0.497 -7.568 1.00 30.24 S ATOM 526 CE MET A 34 5.083 0.599 -7.278 1.00 3.11 C ATOM 0 H MET A 34 9.898 -0.885 -5.889 1.00 51.11 H new ATOM 0 HA MET A 34 8.503 1.263 -7.061 1.00 10.42 H new ATOM 0 HB2 MET A 34 8.299 0.075 -4.283 1.00 71.33 H new ATOM 0 HB3 MET A 34 7.149 1.193 -4.988 1.00 71.33 H new ATOM 0 HG2 MET A 34 7.807 -1.620 -5.911 1.00 62.32 H new ATOM 0 HG3 MET A 34 6.290 -1.043 -5.250 1.00 62.32 H new ATOM 0 HE1 MET A 34 4.630 0.868 -8.232 1.00 3.11 H new ATOM 0 HE2 MET A 34 4.347 0.087 -6.658 1.00 3.11 H new ATOM 0 HE3 MET A 34 5.420 1.502 -6.769 1.00 3.11 H new ATOM 536 N CYS A 35 10.450 2.102 -4.473 1.00 15.11 N ATOM 537 CA CYS A 35 11.018 3.281 -3.817 1.00 13.23 C ATOM 538 C CYS A 35 11.724 4.184 -4.826 1.00 22.45 C ATOM 539 O CYS A 35 11.547 5.397 -4.813 1.00 13.03 O ATOM 540 CB CYS A 35 11.940 2.882 -2.655 1.00 53.41 C ATOM 541 SG CYS A 35 13.492 2.096 -3.123 1.00 52.41 S ATOM 0 H CYS A 35 10.759 1.209 -4.089 1.00 15.11 H new ATOM 0 HA CYS A 35 10.198 3.857 -3.389 1.00 13.23 H new ATOM 0 HB2 CYS A 35 12.167 3.775 -2.073 1.00 53.41 H new ATOM 0 HB3 CYS A 35 11.394 2.204 -1.999 1.00 53.41 H new ATOM 0 HG CYS A 35 14.416 3.002 -3.250 1.00 52.41 H new ATOM 547 N SER A 36 12.505 3.586 -5.722 1.00 74.14 N ATOM 548 CA SER A 36 13.265 4.282 -6.744 1.00 71.10 C ATOM 549 C SER A 36 12.358 4.972 -7.772 1.00 73.04 C ATOM 550 O SER A 36 12.699 6.044 -8.274 1.00 5.24 O ATOM 551 CB SER A 36 14.234 3.279 -7.366 1.00 62.14 C ATOM 552 OG SER A 36 15.009 2.618 -6.368 1.00 41.43 O ATOM 0 H SER A 36 12.627 2.574 -5.754 1.00 74.14 H new ATOM 0 HA SER A 36 13.835 5.098 -6.301 1.00 71.10 H new ATOM 0 HB2 SER A 36 13.676 2.542 -7.943 1.00 62.14 H new ATOM 0 HB3 SER A 36 14.896 3.794 -8.062 1.00 62.14 H new ATOM 0 HG SER A 36 14.551 1.798 -6.088 1.00 41.43 H new ATOM 558 N THR A 37 11.176 4.419 -8.039 1.00 55.12 N ATOM 559 CA THR A 37 10.222 4.947 -9.010 1.00 51.24 C ATOM 560 C THR A 37 9.373 6.084 -8.410 1.00 3.42 C ATOM 561 O THR A 37 8.619 6.738 -9.128 1.00 64.13 O ATOM 562 CB THR A 37 9.382 3.771 -9.551 1.00 3.35 C ATOM 563 OG1 THR A 37 10.228 2.698 -9.918 1.00 61.25 O ATOM 564 CG2 THR A 37 8.559 4.150 -10.788 1.00 14.43 C ATOM 0 H THR A 37 10.848 3.572 -7.575 1.00 55.12 H new ATOM 0 HA THR A 37 10.748 5.406 -9.847 1.00 51.24 H new ATOM 0 HB THR A 37 8.702 3.489 -8.747 1.00 3.35 H new ATOM 0 HG1 THR A 37 10.528 2.227 -9.112 1.00 61.25 H new ATOM 0 HG21 THR A 37 7.988 3.284 -11.125 1.00 14.43 H new ATOM 0 HG22 THR A 37 7.875 4.960 -10.536 1.00 14.43 H new ATOM 0 HG23 THR A 37 9.228 4.476 -11.584 1.00 14.43 H new ATOM 572 N TYR A 38 9.513 6.358 -7.110 1.00 14.42 N ATOM 573 CA TYR A 38 8.787 7.382 -6.361 1.00 33.15 C ATOM 574 C TYR A 38 9.794 8.340 -5.710 1.00 62.14 C ATOM 575 O TYR A 38 9.618 8.803 -4.575 1.00 55.34 O ATOM 576 CB TYR A 38 7.829 6.688 -5.378 1.00 33.11 C ATOM 577 CG TYR A 38 6.567 6.166 -6.046 1.00 35.11 C ATOM 578 CD1 TYR A 38 6.603 5.030 -6.876 1.00 4.01 C ATOM 579 CD2 TYR A 38 5.351 6.852 -5.875 1.00 22.40 C ATOM 580 CE1 TYR A 38 5.457 4.605 -7.562 1.00 33.20 C ATOM 581 CE2 TYR A 38 4.194 6.425 -6.545 1.00 13.20 C ATOM 582 CZ TYR A 38 4.241 5.302 -7.403 1.00 40.21 C ATOM 583 OH TYR A 38 3.122 4.857 -8.038 1.00 14.23 O ATOM 0 H TYR A 38 10.170 5.844 -6.523 1.00 14.42 H new ATOM 0 HA TYR A 38 8.165 8.001 -7.007 1.00 33.15 H new ATOM 0 HB2 TYR A 38 8.348 5.859 -4.897 1.00 33.11 H new ATOM 0 HB3 TYR A 38 7.553 7.390 -4.591 1.00 33.11 H new ATOM 0 HD1 TYR A 38 7.525 4.479 -6.986 1.00 4.01 H new ATOM 0 HD2 TYR A 38 5.307 7.713 -5.224 1.00 22.40 H new ATOM 0 HE1 TYR A 38 5.505 3.744 -8.212 1.00 33.20 H new ATOM 0 HE2 TYR A 38 3.264 6.956 -6.405 1.00 13.20 H new ATOM 0 HH TYR A 38 2.337 5.324 -7.683 1.00 14.23 H new ATOM 593 N ALA A 39 10.905 8.594 -6.414 1.00 31.25 N ATOM 594 CA ALA A 39 12.067 9.278 -5.881 1.00 31.14 C ATOM 595 C ALA A 39 12.867 10.010 -6.954 1.00 42.04 C ATOM 596 O ALA A 39 12.580 9.913 -8.154 1.00 44.21 O ATOM 597 CB ALA A 39 12.937 8.213 -5.239 1.00 73.30 C ATOM 0 H ALA A 39 11.013 8.319 -7.390 1.00 31.25 H new ATOM 0 HA ALA A 39 11.742 10.038 -5.171 1.00 31.14 H new ATOM 0 HB1 ALA A 39 13.830 8.677 -4.820 1.00 73.30 H new ATOM 0 HB2 ALA A 39 12.379 7.717 -4.445 1.00 73.30 H new ATOM 0 HB3 ALA A 39 13.228 7.479 -5.991 1.00 73.30 H new ATOM 603 N SER A 40 13.912 10.709 -6.513 1.00 52.11 N ATOM 604 CA SER A 40 14.696 11.606 -7.352 1.00 43.33 C ATOM 605 C SER A 40 16.148 11.612 -6.905 1.00 72.43 C ATOM 606 O SER A 40 16.484 11.142 -5.817 1.00 65.04 O ATOM 607 CB SER A 40 14.080 13.012 -7.272 1.00 13.44 C ATOM 608 OG SER A 40 13.708 13.325 -5.938 1.00 4.51 O ATOM 0 H SER A 40 14.240 10.665 -5.548 1.00 52.11 H new ATOM 0 HA SER A 40 14.677 11.266 -8.387 1.00 43.33 H new ATOM 0 HB2 SER A 40 14.796 13.749 -7.637 1.00 13.44 H new ATOM 0 HB3 SER A 40 13.206 13.068 -7.921 1.00 13.44 H new ATOM 0 HG SER A 40 13.320 14.224 -5.909 1.00 4.51 H new ATOM 728 N ARG A 48 17.452 10.271 -3.299 1.00 15.03 N ATOM 729 CA ARG A 48 16.658 10.459 -2.095 1.00 21.35 C ATOM 730 C ARG A 48 15.269 9.903 -2.342 1.00 2.21 C ATOM 731 O ARG A 48 14.502 10.470 -3.125 1.00 40.34 O ATOM 732 CB ARG A 48 16.620 11.958 -1.731 1.00 65.43 C ATOM 733 CG ARG A 48 17.524 12.304 -0.536 1.00 12.52 C ATOM 734 CD ARG A 48 16.968 11.817 0.811 1.00 33.24 C ATOM 735 NE ARG A 48 15.872 12.665 1.318 1.00 50.11 N ATOM 736 CZ ARG A 48 15.085 12.405 2.371 1.00 64.24 C ATOM 737 NH1 ARG A 48 15.118 11.240 3.003 1.00 62.32 N ATOM 738 NH2 ARG A 48 14.244 13.320 2.829 1.00 44.21 N ATOM 0 HA ARG A 48 17.099 9.928 -1.252 1.00 21.35 H new ATOM 0 HB2 ARG A 48 16.928 12.545 -2.596 1.00 65.43 H new ATOM 0 HB3 ARG A 48 15.594 12.245 -1.500 1.00 65.43 H new ATOM 0 HG2 ARG A 48 18.508 11.863 -0.695 1.00 12.52 H new ATOM 0 HG3 ARG A 48 17.661 13.385 -0.495 1.00 12.52 H new ATOM 0 HD2 ARG A 48 16.609 10.794 0.702 1.00 33.24 H new ATOM 0 HD3 ARG A 48 17.774 11.795 1.545 1.00 33.24 H new ATOM 0 HE ARG A 48 15.696 13.536 0.817 1.00 50.11 H new ATOM 0 HH11 ARG A 48 15.756 10.508 2.691 1.00 62.32 H new ATOM 0 HH12 ARG A 48 14.505 11.075 3.801 1.00 62.32 H new ATOM 0 HH21 ARG A 48 14.190 14.234 2.379 1.00 44.21 H new ATOM 0 HH22 ARG A 48 13.650 13.111 3.631 1.00 44.21 H new ATOM 752 N TYR A 49 14.951 8.786 -1.694 1.00 51.11 N ATOM 753 CA TYR A 49 13.595 8.264 -1.663 1.00 53.25 C ATOM 754 C TYR A 49 12.681 9.237 -0.914 1.00 22.12 C ATOM 755 O TYR A 49 13.143 10.084 -0.139 1.00 1.32 O ATOM 756 CB TYR A 49 13.585 6.854 -1.052 1.00 64.24 C ATOM 757 CG TYR A 49 14.501 5.842 -1.730 1.00 43.04 C ATOM 758 CD1 TYR A 49 14.523 5.717 -3.129 1.00 31.21 C ATOM 759 CD2 TYR A 49 15.352 5.024 -0.967 1.00 41.44 C ATOM 760 CE1 TYR A 49 15.357 4.782 -3.765 1.00 12.14 C ATOM 761 CE2 TYR A 49 16.178 4.060 -1.585 1.00 71.12 C ATOM 762 CZ TYR A 49 16.166 3.925 -2.993 1.00 33.35 C ATOM 763 OH TYR A 49 16.909 2.966 -3.610 1.00 12.10 O ATOM 0 H TYR A 49 15.626 8.221 -1.178 1.00 51.11 H new ATOM 0 HA TYR A 49 13.209 8.173 -2.678 1.00 53.25 H new ATOM 0 HB2 TYR A 49 13.868 6.929 -0.002 1.00 64.24 H new ATOM 0 HB3 TYR A 49 12.565 6.471 -1.080 1.00 64.24 H new ATOM 0 HD1 TYR A 49 13.886 6.352 -3.727 1.00 31.21 H new ATOM 0 HD2 TYR A 49 15.374 5.134 0.107 1.00 41.44 H new ATOM 0 HE1 TYR A 49 15.378 4.720 -4.843 1.00 12.14 H new ATOM 0 HE2 TYR A 49 16.816 3.428 -0.985 1.00 71.12 H new ATOM 0 HH TYR A 49 17.412 2.459 -2.939 1.00 12.10 H new ATOM 773 N SER A 50 11.376 9.133 -1.146 1.00 62.21 N ATOM 774 CA SER A 50 10.365 9.851 -0.374 1.00 60.21 C ATOM 775 C SER A 50 10.242 9.261 1.048 1.00 14.41 C ATOM 776 O SER A 50 10.535 8.082 1.246 1.00 42.21 O ATOM 777 CB SER A 50 9.034 9.758 -1.133 1.00 43.14 C ATOM 778 OG SER A 50 9.175 10.393 -2.394 1.00 43.55 O ATOM 0 H SER A 50 10.986 8.543 -1.881 1.00 62.21 H new ATOM 0 HA SER A 50 10.650 10.897 -0.260 1.00 60.21 H new ATOM 0 HB2 SER A 50 8.749 8.714 -1.267 1.00 43.14 H new ATOM 0 HB3 SER A 50 8.239 10.234 -0.559 1.00 43.14 H new ATOM 0 HG SER A 50 9.346 9.718 -3.083 1.00 43.55 H new ATOM 784 N PRO A 51 9.773 10.039 2.042 1.00 43.14 N ATOM 785 CA PRO A 51 9.505 9.539 3.387 1.00 55.50 C ATOM 786 C PRO A 51 8.215 8.711 3.443 1.00 2.42 C ATOM 787 O PRO A 51 8.038 7.915 4.366 1.00 13.13 O ATOM 788 CB PRO A 51 9.375 10.795 4.252 1.00 24.44 C ATOM 789 CG PRO A 51 8.808 11.830 3.281 1.00 61.51 C ATOM 790 CD PRO A 51 9.489 11.464 1.965 1.00 32.22 C ATOM 0 HA PRO A 51 10.298 8.873 3.728 1.00 55.50 H new ATOM 0 HB2 PRO A 51 8.711 10.633 5.101 1.00 24.44 H new ATOM 0 HB3 PRO A 51 10.338 11.107 4.656 1.00 24.44 H new ATOM 0 HG2 PRO A 51 7.723 11.764 3.207 1.00 61.51 H new ATOM 0 HG3 PRO A 51 9.045 12.848 3.590 1.00 61.51 H new ATOM 0 HD2 PRO A 51 8.843 11.688 1.116 1.00 32.22 H new ATOM 0 HD3 PRO A 51 10.406 12.037 1.828 1.00 32.22 H new ATOM 798 N TYR A 52 7.316 8.908 2.472 1.00 52.12 N ATOM 799 CA TYR A 52 5.999 8.285 2.424 1.00 45.33 C ATOM 800 C TYR A 52 6.047 6.797 2.147 1.00 35.04 C ATOM 801 O TYR A 52 5.020 6.133 2.229 1.00 4.44 O ATOM 802 CB TYR A 52 5.136 8.959 1.347 1.00 71.34 C ATOM 803 CG TYR A 52 4.984 10.457 1.505 1.00 71.13 C ATOM 804 CD1 TYR A 52 4.620 10.992 2.751 1.00 31.45 C ATOM 805 CD2 TYR A 52 5.201 11.312 0.410 1.00 52.22 C ATOM 806 CE1 TYR A 52 4.516 12.378 2.920 1.00 2.34 C ATOM 807 CE2 TYR A 52 5.095 12.705 0.569 1.00 63.35 C ATOM 808 CZ TYR A 52 4.772 13.247 1.833 1.00 40.22 C ATOM 809 OH TYR A 52 4.680 14.594 2.000 1.00 34.24 O ATOM 0 H TYR A 52 7.495 9.523 1.678 1.00 52.12 H new ATOM 0 HA TYR A 52 5.565 8.420 3.414 1.00 45.33 H new ATOM 0 HB2 TYR A 52 5.572 8.753 0.370 1.00 71.34 H new ATOM 0 HB3 TYR A 52 4.146 8.504 1.357 1.00 71.34 H new ATOM 0 HD1 TYR A 52 4.420 10.332 3.582 1.00 31.45 H new ATOM 0 HD2 TYR A 52 5.450 10.898 -0.556 1.00 52.22 H new ATOM 0 HE1 TYR A 52 4.240 12.785 3.882 1.00 2.34 H new ATOM 0 HE2 TYR A 52 5.260 13.360 -0.274 1.00 63.35 H new ATOM 0 HH TYR A 52 4.888 15.043 1.154 1.00 34.24 H new ATOM 819 N LEU A 53 7.200 6.280 1.756 1.00 22.54 N ATOM 820 CA LEU A 53 7.293 5.047 1.020 1.00 24.14 C ATOM 821 C LEU A 53 8.563 4.403 1.494 1.00 5.02 C ATOM 822 O LEU A 53 9.654 4.870 1.156 1.00 75.05 O ATOM 823 CB LEU A 53 7.322 5.384 -0.475 1.00 43.34 C ATOM 824 CG LEU A 53 5.966 5.127 -1.141 1.00 50.02 C ATOM 825 CD1 LEU A 53 5.922 5.791 -2.518 1.00 1.54 C ATOM 826 CD2 LEU A 53 5.704 3.626 -1.290 1.00 60.04 C ATOM 0 H LEU A 53 8.103 6.715 1.947 1.00 22.54 H new ATOM 0 HA LEU A 53 6.454 4.368 1.175 1.00 24.14 H new ATOM 0 HB2 LEU A 53 7.600 6.430 -0.607 1.00 43.34 H new ATOM 0 HB3 LEU A 53 8.089 4.786 -0.968 1.00 43.34 H new ATOM 0 HG LEU A 53 5.192 5.555 -0.504 1.00 50.02 H new ATOM 0 HD11 LEU A 53 4.954 5.602 -2.982 1.00 1.54 H new ATOM 0 HD12 LEU A 53 6.068 6.866 -2.409 1.00 1.54 H new ATOM 0 HD13 LEU A 53 6.712 5.379 -3.146 1.00 1.54 H new ATOM 0 HD21 LEU A 53 4.735 3.471 -1.765 1.00 60.04 H new ATOM 0 HD22 LEU A 53 6.485 3.180 -1.905 1.00 60.04 H new ATOM 0 HD23 LEU A 53 5.704 3.157 -0.306 1.00 60.04 H new ATOM 838 N LYS A 54 8.446 3.385 2.341 1.00 15.23 N ATOM 839 CA LYS A 54 9.611 2.748 2.925 1.00 24.14 C ATOM 840 C LYS A 54 9.438 1.238 2.945 1.00 71.02 C ATOM 841 O LYS A 54 8.309 0.750 3.040 1.00 13.34 O ATOM 842 CB LYS A 54 9.871 3.295 4.336 1.00 43.32 C ATOM 843 CG LYS A 54 10.383 4.750 4.289 1.00 21.40 C ATOM 844 CD LYS A 54 11.346 5.055 5.435 1.00 10.11 C ATOM 845 CE LYS A 54 10.681 4.924 6.806 1.00 61.51 C ATOM 846 NZ LYS A 54 11.687 4.666 7.850 1.00 44.35 N ATOM 0 H LYS A 54 7.554 2.987 2.635 1.00 15.23 H new ATOM 0 HA LYS A 54 10.480 2.978 2.309 1.00 24.14 H new ATOM 0 HB2 LYS A 54 8.952 3.249 4.921 1.00 43.32 H new ATOM 0 HB3 LYS A 54 10.603 2.666 4.843 1.00 43.32 H new ATOM 0 HG2 LYS A 54 10.884 4.927 3.337 1.00 21.40 H new ATOM 0 HG3 LYS A 54 9.536 5.434 4.336 1.00 21.40 H new ATOM 0 HD2 LYS A 54 12.197 4.376 5.381 1.00 10.11 H new ATOM 0 HD3 LYS A 54 11.736 6.066 5.319 1.00 10.11 H new ATOM 0 HE2 LYS A 54 10.134 5.837 7.039 1.00 61.51 H new ATOM 0 HE3 LYS A 54 9.953 4.113 6.787 1.00 61.51 H new ATOM 0 HZ1 LYS A 54 11.215 4.580 8.773 1.00 44.35 H new ATOM 0 HZ2 LYS A 54 12.191 3.782 7.635 1.00 44.35 H new ATOM 0 HZ3 LYS A 54 12.366 5.453 7.880 1.00 44.35 H new ATOM 860 N PRO A 55 10.549 0.493 2.902 1.00 72.53 N ATOM 861 CA PRO A 55 10.500 -0.932 3.125 1.00 31.44 C ATOM 862 C PRO A 55 10.082 -1.196 4.566 1.00 3.14 C ATOM 863 O PRO A 55 10.318 -0.392 5.474 1.00 54.32 O ATOM 864 CB PRO A 55 11.913 -1.449 2.855 1.00 35.23 C ATOM 865 CG PRO A 55 12.805 -0.241 3.123 1.00 64.21 C ATOM 866 CD PRO A 55 11.923 0.948 2.751 1.00 65.21 C ATOM 0 HA PRO A 55 9.780 -1.433 2.478 1.00 31.44 H new ATOM 0 HB2 PRO A 55 12.164 -2.284 3.509 1.00 35.23 H new ATOM 0 HB3 PRO A 55 12.019 -1.804 1.830 1.00 35.23 H new ATOM 0 HG2 PRO A 55 13.117 -0.197 4.166 1.00 64.21 H new ATOM 0 HG3 PRO A 55 13.712 -0.271 2.520 1.00 64.21 H new ATOM 0 HD2 PRO A 55 12.125 1.801 3.399 1.00 65.21 H new ATOM 0 HD3 PRO A 55 12.116 1.272 1.728 1.00 65.21 H new ATOM 874 N ARG A 56 9.567 -2.397 4.773 1.00 1.23 N ATOM 875 CA ARG A 56 9.603 -3.088 6.053 1.00 42.51 C ATOM 876 C ARG A 56 10.138 -4.490 5.753 1.00 53.31 C ATOM 877 O ARG A 56 10.754 -4.718 4.704 1.00 43.15 O ATOM 878 CB ARG A 56 8.218 -3.015 6.731 1.00 23.45 C ATOM 879 CG ARG A 56 8.084 -1.677 7.479 1.00 34.51 C ATOM 880 CD ARG A 56 6.854 -1.694 8.386 1.00 34.44 C ATOM 881 NE ARG A 56 6.564 -0.369 8.968 1.00 13.04 N ATOM 882 CZ ARG A 56 7.036 0.150 10.111 1.00 11.40 C ATOM 883 NH1 ARG A 56 7.968 -0.470 10.822 1.00 42.41 N ATOM 884 NH2 ARG A 56 6.565 1.316 10.537 1.00 14.13 N ATOM 0 H ARG A 56 9.102 -2.931 4.039 1.00 1.23 H new ATOM 0 HA ARG A 56 10.265 -2.632 6.789 1.00 42.51 H new ATOM 0 HB2 ARG A 56 7.430 -3.107 5.984 1.00 23.45 H new ATOM 0 HB3 ARG A 56 8.097 -3.846 7.426 1.00 23.45 H new ATOM 0 HG2 ARG A 56 8.979 -1.494 8.073 1.00 34.51 H new ATOM 0 HG3 ARG A 56 8.004 -0.859 6.763 1.00 34.51 H new ATOM 0 HD2 ARG A 56 5.990 -2.034 7.815 1.00 34.44 H new ATOM 0 HD3 ARG A 56 7.009 -2.414 9.189 1.00 34.44 H new ATOM 0 HE ARG A 56 5.927 0.224 8.436 1.00 13.04 H new ATOM 0 HH11 ARG A 56 8.343 -1.363 10.503 1.00 42.41 H new ATOM 0 HH12 ARG A 56 8.310 -0.054 11.688 1.00 42.41 H new ATOM 0 HH21 ARG A 56 5.852 1.806 9.997 1.00 14.13 H new ATOM 0 HH22 ARG A 56 6.916 1.721 11.405 1.00 14.13 H new ATOM 898 N VAL A 57 9.962 -5.393 6.718 1.00 43.22 N ATOM 899 CA VAL A 57 9.813 -6.821 6.592 1.00 3.43 C ATOM 900 C VAL A 57 9.040 -7.314 7.808 1.00 33.41 C ATOM 901 O VAL A 57 9.372 -6.964 8.937 1.00 22.35 O ATOM 902 CB VAL A 57 11.187 -7.407 6.323 1.00 40.32 C ATOM 903 CG1 VAL A 57 12.335 -6.890 7.166 1.00 10.21 C ATOM 904 CG2 VAL A 57 11.188 -8.931 6.231 1.00 31.53 C ATOM 0 H VAL A 57 9.918 -5.103 7.695 1.00 43.22 H new ATOM 0 HA VAL A 57 9.214 -7.157 5.745 1.00 3.43 H new ATOM 0 HB VAL A 57 11.403 -7.008 5.332 1.00 40.32 H new ATOM 0 HG11 VAL A 57 13.257 -7.391 6.871 1.00 10.21 H new ATOM 0 HG12 VAL A 57 12.442 -5.816 7.016 1.00 10.21 H new ATOM 0 HG13 VAL A 57 12.133 -7.091 8.218 1.00 10.21 H new ATOM 0 HG21 VAL A 57 12.201 -9.283 6.037 1.00 31.53 H new ATOM 0 HG22 VAL A 57 10.831 -9.352 7.171 1.00 31.53 H new ATOM 0 HG23 VAL A 57 10.533 -9.247 5.419 1.00 31.53 H new ATOM 914 N ILE A 58 7.958 -8.063 7.565 1.00 2.50 N ATOM 915 CA ILE A 58 7.086 -8.693 8.541 1.00 10.00 C ATOM 916 C ILE A 58 7.089 -10.157 8.120 1.00 62.00 C ATOM 917 O ILE A 58 6.852 -10.442 6.947 1.00 2.21 O ATOM 918 CB ILE A 58 5.637 -8.121 8.528 1.00 51.02 C ATOM 919 CG1 ILE A 58 5.616 -6.602 8.812 1.00 31.30 C ATOM 920 CG2 ILE A 58 4.781 -8.871 9.561 1.00 41.12 C ATOM 921 CD1 ILE A 58 4.240 -5.954 8.949 1.00 43.10 C ATOM 0 H ILE A 58 7.654 -8.253 6.610 1.00 2.50 H new ATOM 0 HA ILE A 58 7.435 -8.522 9.559 1.00 10.00 H new ATOM 0 HB ILE A 58 5.222 -8.268 7.531 1.00 51.02 H new ATOM 0 HG12 ILE A 58 6.172 -6.419 9.731 1.00 31.30 H new ATOM 0 HG13 ILE A 58 6.153 -6.097 8.009 1.00 31.30 H new ATOM 0 HG21 ILE A 58 3.767 -8.471 9.552 1.00 41.12 H new ATOM 0 HG22 ILE A 58 4.755 -9.932 9.311 1.00 41.12 H new ATOM 0 HG23 ILE A 58 5.213 -8.743 10.553 1.00 41.12 H new ATOM 0 HD11 ILE A 58 4.358 -4.889 9.147 1.00 43.10 H new ATOM 0 HD12 ILE A 58 3.679 -6.092 8.025 1.00 43.10 H new ATOM 0 HD13 ILE A 58 3.700 -6.419 9.774 1.00 43.10 H new ATOM 933 N GLU A 59 7.365 -11.070 9.048 1.00 34.11 N ATOM 934 CA GLU A 59 7.385 -12.518 8.807 1.00 63.12 C ATOM 935 C GLU A 59 8.292 -12.898 7.620 1.00 12.43 C ATOM 936 O GLU A 59 8.017 -13.825 6.859 1.00 14.33 O ATOM 937 CB GLU A 59 5.945 -13.053 8.717 1.00 74.21 C ATOM 938 CG GLU A 59 5.279 -12.865 10.090 1.00 65.53 C ATOM 939 CD GLU A 59 3.832 -13.327 10.158 1.00 13.52 C ATOM 940 OE1 GLU A 59 3.048 -13.139 9.199 1.00 3.15 O ATOM 941 OE2 GLU A 59 3.442 -13.794 11.261 1.00 10.34 O ATOM 0 H GLU A 59 7.587 -10.822 10.012 1.00 34.11 H new ATOM 0 HA GLU A 59 7.847 -13.020 9.657 1.00 63.12 H new ATOM 0 HB2 GLU A 59 5.388 -12.519 7.947 1.00 74.21 H new ATOM 0 HB3 GLU A 59 5.947 -14.106 8.436 1.00 74.21 H new ATOM 0 HG2 GLU A 59 5.856 -13.409 10.837 1.00 65.53 H new ATOM 0 HG3 GLU A 59 5.323 -11.810 10.360 1.00 65.53 H new ATOM 948 N GLY A 60 9.383 -12.155 7.433 1.00 52.24 N ATOM 949 CA GLY A 60 10.318 -12.308 6.324 1.00 5.45 C ATOM 950 C GLY A 60 9.805 -11.729 5.007 1.00 44.41 C ATOM 951 O GLY A 60 10.588 -11.571 4.068 1.00 4.52 O ATOM 0 H GLY A 60 9.647 -11.405 8.072 1.00 52.24 H new ATOM 0 HA2 GLY A 60 11.259 -11.822 6.583 1.00 5.45 H new ATOM 0 HA3 GLY A 60 10.534 -13.367 6.186 1.00 5.45 H new ATOM 955 N VAL A 61 8.539 -11.332 4.928 1.00 34.10 N ATOM 956 CA VAL A 61 7.951 -10.693 3.764 1.00 25.34 C ATOM 957 C VAL A 61 8.265 -9.206 3.842 1.00 45.15 C ATOM 958 O VAL A 61 7.798 -8.495 4.730 1.00 73.23 O ATOM 959 CB VAL A 61 6.433 -10.955 3.697 1.00 52.12 C ATOM 960 CG1 VAL A 61 5.928 -10.719 2.268 1.00 52.14 C ATOM 961 CG2 VAL A 61 6.071 -12.386 4.100 1.00 55.13 C ATOM 0 H VAL A 61 7.878 -11.451 5.696 1.00 34.10 H new ATOM 0 HA VAL A 61 8.373 -11.108 2.849 1.00 25.34 H new ATOM 0 HB VAL A 61 5.962 -10.267 4.400 1.00 52.12 H new ATOM 0 HG11 VAL A 61 4.855 -10.905 2.226 1.00 52.14 H new ATOM 0 HG12 VAL A 61 6.129 -9.688 1.977 1.00 52.14 H new ATOM 0 HG13 VAL A 61 6.441 -11.396 1.584 1.00 52.14 H new ATOM 0 HG21 VAL A 61 4.991 -12.520 4.036 1.00 55.13 H new ATOM 0 HG22 VAL A 61 6.564 -13.089 3.428 1.00 55.13 H new ATOM 0 HG23 VAL A 61 6.400 -12.570 5.123 1.00 55.13 H new ATOM 971 N ARG A 62 9.096 -8.749 2.911 1.00 13.11 N ATOM 972 CA ARG A 62 9.614 -7.392 2.759 1.00 63.10 C ATOM 973 C ARG A 62 8.463 -6.392 2.859 1.00 72.31 C ATOM 974 O ARG A 62 8.344 -5.707 3.863 1.00 4.13 O ATOM 975 CB ARG A 62 10.351 -7.306 1.407 1.00 1.44 C ATOM 976 CG ARG A 62 11.503 -8.314 1.283 1.00 3.43 C ATOM 977 CD ARG A 62 12.073 -8.395 -0.139 1.00 1.20 C ATOM 978 NE ARG A 62 11.432 -9.470 -0.924 1.00 14.33 N ATOM 979 CZ ARG A 62 11.677 -10.789 -0.855 1.00 3.33 C ATOM 980 NH1 ARG A 62 12.612 -11.283 -0.050 1.00 31.32 N ATOM 981 NH2 ARG A 62 10.964 -11.627 -1.604 1.00 3.44 N ATOM 0 H ARG A 62 9.454 -9.368 2.184 1.00 13.11 H new ATOM 0 HA ARG A 62 10.320 -7.146 3.552 1.00 63.10 H new ATOM 0 HB2 ARG A 62 9.638 -7.477 0.600 1.00 1.44 H new ATOM 0 HB3 ARG A 62 10.743 -6.297 1.277 1.00 1.44 H new ATOM 0 HG2 ARG A 62 12.299 -8.035 1.973 1.00 3.43 H new ATOM 0 HG3 ARG A 62 11.151 -9.300 1.585 1.00 3.43 H new ATOM 0 HD2 ARG A 62 11.928 -7.440 -0.644 1.00 1.20 H new ATOM 0 HD3 ARG A 62 13.148 -8.571 -0.091 1.00 1.20 H new ATOM 0 HE ARG A 62 10.722 -9.177 -1.595 1.00 14.33 H new ATOM 0 HH11 ARG A 62 13.164 -10.656 0.535 1.00 31.32 H new ATOM 0 HH12 ARG A 62 12.777 -12.289 -0.017 1.00 31.32 H new ATOM 0 HH21 ARG A 62 10.239 -11.266 -2.224 1.00 3.44 H new ATOM 0 HH22 ARG A 62 11.143 -12.630 -1.558 1.00 3.44 H new ATOM 995 N CYS A 63 7.527 -6.377 1.908 1.00 60.01 N ATOM 996 CA CYS A 63 6.399 -5.433 1.888 1.00 12.21 C ATOM 997 C CYS A 63 6.872 -3.974 1.774 1.00 72.31 C ATOM 998 O CYS A 63 8.066 -3.686 1.851 1.00 13.41 O ATOM 999 CB CYS A 63 5.431 -5.667 3.079 1.00 31.44 C ATOM 1000 SG CYS A 63 5.211 -7.442 3.406 1.00 10.13 S ATOM 0 H CYS A 63 7.527 -7.025 1.120 1.00 60.01 H new ATOM 0 HA CYS A 63 5.823 -5.633 0.985 1.00 12.21 H new ATOM 0 HB2 CYS A 63 5.821 -5.176 3.970 1.00 31.44 H new ATOM 0 HB3 CYS A 63 4.465 -5.212 2.861 1.00 31.44 H new ATOM 0 HG CYS A 63 6.211 -7.880 4.112 1.00 10.13 H new ATOM 1006 N LEU A 64 5.933 -3.058 1.549 1.00 20.24 N ATOM 1007 CA LEU A 64 6.184 -1.669 1.196 1.00 70.04 C ATOM 1008 C LEU A 64 5.123 -0.826 1.890 1.00 31.33 C ATOM 1009 O LEU A 64 3.952 -0.937 1.527 1.00 64.34 O ATOM 1010 CB LEU A 64 6.088 -1.553 -0.333 1.00 11.24 C ATOM 1011 CG LEU A 64 6.153 -0.111 -0.860 1.00 73.34 C ATOM 1012 CD1 LEU A 64 7.520 0.515 -0.592 1.00 74.12 C ATOM 1013 CD2 LEU A 64 5.903 -0.142 -2.370 1.00 11.30 C ATOM 0 H LEU A 64 4.938 -3.275 1.611 1.00 20.24 H new ATOM 0 HA LEU A 64 7.169 -1.325 1.510 1.00 70.04 H new ATOM 0 HB2 LEU A 64 6.898 -2.129 -0.781 1.00 11.24 H new ATOM 0 HB3 LEU A 64 5.153 -2.007 -0.663 1.00 11.24 H new ATOM 0 HG LEU A 64 5.400 0.488 -0.349 1.00 73.34 H new ATOM 0 HD11 LEU A 64 7.535 1.535 -0.976 1.00 74.12 H new ATOM 0 HD12 LEU A 64 7.710 0.529 0.481 1.00 74.12 H new ATOM 0 HD13 LEU A 64 8.293 -0.071 -1.089 1.00 74.12 H new ATOM 0 HD21 LEU A 64 5.944 0.872 -2.767 1.00 11.30 H new ATOM 0 HD22 LEU A 64 6.667 -0.752 -2.853 1.00 11.30 H new ATOM 0 HD23 LEU A 64 4.920 -0.569 -2.567 1.00 11.30 H new ATOM 1025 N ALA A 65 5.498 -0.087 2.935 1.00 35.24 N ATOM 1026 CA ALA A 65 4.575 0.768 3.672 1.00 41.34 C ATOM 1027 C ALA A 65 4.322 2.042 2.860 1.00 2.31 C ATOM 1028 O ALA A 65 5.258 2.544 2.233 1.00 33.31 O ATOM 1029 CB ALA A 65 5.174 1.117 5.035 1.00 53.42 C ATOM 0 H ALA A 65 6.453 -0.067 3.293 1.00 35.24 H new ATOM 0 HA ALA A 65 3.630 0.248 3.830 1.00 41.34 H new ATOM 0 HB1 ALA A 65 4.482 1.756 5.584 1.00 53.42 H new ATOM 0 HB2 ALA A 65 5.349 0.202 5.601 1.00 53.42 H new ATOM 0 HB3 ALA A 65 6.119 1.642 4.894 1.00 53.42 H new ATOM 1035 N VAL A 66 3.095 2.573 2.894 1.00 63.55 N ATOM 1036 CA VAL A 66 2.682 3.715 2.073 1.00 24.43 C ATOM 1037 C VAL A 66 1.852 4.662 2.931 1.00 74.43 C ATOM 1038 O VAL A 66 0.725 4.341 3.313 1.00 12.32 O ATOM 1039 CB VAL A 66 1.929 3.301 0.793 1.00 5.31 C ATOM 1040 CG1 VAL A 66 2.048 4.418 -0.254 1.00 3.33 C ATOM 1041 CG2 VAL A 66 2.437 1.979 0.210 1.00 11.51 C ATOM 0 H VAL A 66 2.354 2.218 3.498 1.00 63.55 H new ATOM 0 HA VAL A 66 3.580 4.224 1.723 1.00 24.43 H new ATOM 0 HB VAL A 66 0.884 3.146 1.063 1.00 5.31 H new ATOM 0 HG11 VAL A 66 1.516 4.126 -1.159 1.00 3.33 H new ATOM 0 HG12 VAL A 66 1.614 5.336 0.142 1.00 3.33 H new ATOM 0 HG13 VAL A 66 3.099 4.586 -0.489 1.00 3.33 H new ATOM 0 HG21 VAL A 66 1.871 1.737 -0.690 1.00 11.51 H new ATOM 0 HG22 VAL A 66 3.494 2.074 -0.040 1.00 11.51 H new ATOM 0 HG23 VAL A 66 2.308 1.184 0.945 1.00 11.51 H new ATOM 1051 N ASP A 67 2.440 5.802 3.278 1.00 35.53 N ATOM 1052 CA ASP A 67 1.846 6.869 4.074 1.00 22.24 C ATOM 1053 C ASP A 67 0.714 7.504 3.267 1.00 51.55 C ATOM 1054 O ASP A 67 0.933 7.943 2.134 1.00 53.14 O ATOM 1055 CB ASP A 67 2.917 7.907 4.438 1.00 40.31 C ATOM 1056 CG ASP A 67 2.462 8.860 5.540 1.00 73.11 C ATOM 1057 OD1 ASP A 67 1.341 9.411 5.418 1.00 51.31 O ATOM 1058 OD2 ASP A 67 3.225 9.098 6.498 1.00 11.42 O ATOM 0 H ASP A 67 3.396 6.018 2.996 1.00 35.53 H new ATOM 0 HA ASP A 67 1.441 6.469 5.004 1.00 22.24 H new ATOM 0 HB2 ASP A 67 3.822 7.392 4.759 1.00 40.31 H new ATOM 0 HB3 ASP A 67 3.176 8.483 3.549 1.00 40.31 H new ATOM 1063 N LEU A 68 -0.500 7.542 3.823 1.00 41.12 N ATOM 1064 CA LEU A 68 -1.672 8.096 3.142 1.00 25.55 C ATOM 1065 C LEU A 68 -1.510 9.585 2.817 1.00 44.25 C ATOM 1066 O LEU A 68 -2.176 10.090 1.916 1.00 14.22 O ATOM 1067 CB LEU A 68 -2.949 7.845 3.970 1.00 35.42 C ATOM 1068 CG LEU A 68 -3.899 6.838 3.305 1.00 23.32 C ATOM 1069 CD1 LEU A 68 -4.954 6.378 4.317 1.00 73.31 C ATOM 1070 CD2 LEU A 68 -4.577 7.446 2.074 1.00 1.32 C ATOM 0 H LEU A 68 -0.698 7.189 4.759 1.00 41.12 H new ATOM 0 HA LEU A 68 -1.766 7.576 2.189 1.00 25.55 H new ATOM 0 HB2 LEU A 68 -2.670 7.477 4.958 1.00 35.42 H new ATOM 0 HB3 LEU A 68 -3.473 8.789 4.118 1.00 35.42 H new ATOM 0 HG LEU A 68 -3.314 5.979 2.975 1.00 23.32 H new ATOM 0 HD11 LEU A 68 -5.627 5.664 3.842 1.00 73.31 H new ATOM 0 HD12 LEU A 68 -4.461 5.904 5.166 1.00 73.31 H new ATOM 0 HD13 LEU A 68 -5.525 7.239 4.664 1.00 73.31 H new ATOM 0 HD21 LEU A 68 -5.243 6.710 1.625 1.00 1.32 H new ATOM 0 HD22 LEU A 68 -5.153 8.323 2.371 1.00 1.32 H new ATOM 0 HD23 LEU A 68 -3.818 7.739 1.348 1.00 1.32 H new ATOM 1082 N LYS A 69 -0.583 10.298 3.463 1.00 43.14 N ATOM 1083 CA LYS A 69 -0.243 11.678 3.116 1.00 31.01 C ATOM 1084 C LYS A 69 0.230 11.792 1.671 1.00 22.34 C ATOM 1085 O LYS A 69 0.059 12.864 1.080 1.00 24.11 O ATOM 1086 CB LYS A 69 0.806 12.201 4.108 1.00 64.43 C ATOM 1087 CG LYS A 69 0.777 13.727 4.246 1.00 32.13 C ATOM 1088 CD LYS A 69 1.748 14.440 3.317 1.00 54.34 C ATOM 1089 CE LYS A 69 1.245 15.827 2.947 1.00 33.41 C ATOM 1090 NZ LYS A 69 0.008 15.773 2.145 1.00 4.35 N ATOM 0 H LYS A 69 -0.044 9.930 4.247 1.00 43.14 H new ATOM 0 HA LYS A 69 -1.136 12.298 3.192 1.00 31.01 H new ATOM 0 HB2 LYS A 69 0.635 11.748 5.085 1.00 64.43 H new ATOM 0 HB3 LYS A 69 1.798 11.888 3.781 1.00 64.43 H new ATOM 0 HG2 LYS A 69 -0.233 14.083 4.045 1.00 32.13 H new ATOM 0 HG3 LYS A 69 1.010 13.995 5.277 1.00 32.13 H new ATOM 0 HD2 LYS A 69 2.722 14.521 3.799 1.00 54.34 H new ATOM 0 HD3 LYS A 69 1.889 13.849 2.412 1.00 54.34 H new ATOM 0 HE2 LYS A 69 1.063 16.400 3.856 1.00 33.41 H new ATOM 0 HE3 LYS A 69 2.017 16.355 2.387 1.00 33.41 H new ATOM 0 HZ1 LYS A 69 -0.030 16.596 1.510 1.00 4.35 H new ATOM 0 HZ2 LYS A 69 -0.002 14.899 1.581 1.00 4.35 H new ATOM 0 HZ3 LYS A 69 -0.817 15.786 2.778 1.00 4.35 H new ATOM 1104 N LEU A 70 0.776 10.722 1.078 1.00 40.32 N ATOM 1105 CA LEU A 70 1.072 10.713 -0.344 1.00 34.42 C ATOM 1106 C LEU A 70 -0.217 10.844 -1.165 1.00 42.42 C ATOM 1107 O LEU A 70 -0.201 11.590 -2.134 1.00 72.42 O ATOM 1108 CB LEU A 70 1.911 9.493 -0.736 1.00 14.52 C ATOM 1109 CG LEU A 70 2.124 9.376 -2.263 1.00 62.52 C ATOM 1110 CD1 LEU A 70 3.034 10.486 -2.794 1.00 4.04 C ATOM 1111 CD2 LEU A 70 2.706 8.011 -2.623 1.00 72.35 C ATOM 0 H LEU A 70 1.017 9.859 1.566 1.00 40.32 H new ATOM 0 HA LEU A 70 1.685 11.584 -0.576 1.00 34.42 H new ATOM 0 HB2 LEU A 70 2.881 9.551 -0.242 1.00 14.52 H new ATOM 0 HB3 LEU A 70 1.422 8.590 -0.372 1.00 14.52 H new ATOM 0 HG LEU A 70 1.147 9.484 -2.735 1.00 62.52 H new ATOM 0 HD11 LEU A 70 3.160 10.370 -3.870 1.00 4.04 H new ATOM 0 HD12 LEU A 70 2.585 11.457 -2.584 1.00 4.04 H new ATOM 0 HD13 LEU A 70 4.007 10.423 -2.306 1.00 4.04 H new ATOM 0 HD21 LEU A 70 2.848 7.949 -3.702 1.00 72.35 H new ATOM 0 HD22 LEU A 70 3.666 7.881 -2.122 1.00 72.35 H new ATOM 0 HD23 LEU A 70 2.020 7.227 -2.302 1.00 72.35 H new ATOM 1123 N LYS A 71 -1.339 10.191 -0.819 1.00 44.23 N ATOM 1124 CA LYS A 71 -2.595 10.356 -1.570 1.00 21.22 C ATOM 1125 C LYS A 71 -3.069 11.810 -1.498 1.00 1.35 C ATOM 1126 O LYS A 71 -3.629 12.308 -2.463 1.00 50.45 O ATOM 1127 CB LYS A 71 -3.687 9.395 -1.039 1.00 2.00 C ATOM 1128 CG LYS A 71 -5.009 9.354 -1.841 1.00 30.53 C ATOM 1129 CD LYS A 71 -4.947 8.520 -3.133 1.00 3.01 C ATOM 1130 CE LYS A 71 -6.145 8.820 -4.043 1.00 41.05 C ATOM 1131 NZ LYS A 71 -6.060 8.164 -5.375 1.00 3.42 N ATOM 0 H LYS A 71 -1.402 9.548 -0.030 1.00 44.23 H new ATOM 0 HA LYS A 71 -2.407 10.104 -2.614 1.00 21.22 H new ATOM 0 HB2 LYS A 71 -3.272 8.387 -1.010 1.00 2.00 H new ATOM 0 HB3 LYS A 71 -3.918 9.674 -0.011 1.00 2.00 H new ATOM 0 HG2 LYS A 71 -5.795 8.952 -1.201 1.00 30.53 H new ATOM 0 HG3 LYS A 71 -5.296 10.374 -2.096 1.00 30.53 H new ATOM 0 HD2 LYS A 71 -4.020 8.736 -3.664 1.00 3.01 H new ATOM 0 HD3 LYS A 71 -4.932 7.459 -2.884 1.00 3.01 H new ATOM 0 HE2 LYS A 71 -7.059 8.496 -3.545 1.00 41.05 H new ATOM 0 HE3 LYS A 71 -6.224 9.898 -4.183 1.00 41.05 H new ATOM 0 HZ1 LYS A 71 -6.816 8.527 -5.990 1.00 3.42 H new ATOM 0 HZ2 LYS A 71 -5.136 8.370 -5.805 1.00 3.42 H new ATOM 0 HZ3 LYS A 71 -6.168 7.136 -5.263 1.00 3.42 H new ATOM 1145 N ASP A 72 -2.812 12.506 -0.400 1.00 0.25 N ATOM 1146 CA ASP A 72 -3.218 13.905 -0.227 1.00 32.31 C ATOM 1147 C ASP A 72 -2.412 14.865 -1.107 1.00 71.33 C ATOM 1148 O ASP A 72 -2.929 15.891 -1.547 1.00 72.30 O ATOM 1149 CB ASP A 72 -3.019 14.263 1.239 1.00 63.11 C ATOM 1150 CG ASP A 72 -3.482 15.685 1.555 1.00 32.41 C ATOM 1151 OD1 ASP A 72 -4.642 16.044 1.340 1.00 72.43 O ATOM 1152 OD2 ASP A 72 -2.602 16.463 2.012 1.00 34.15 O ATOM 0 H ASP A 72 -2.314 12.120 0.403 1.00 0.25 H new ATOM 0 HA ASP A 72 -4.260 14.007 -0.529 1.00 32.31 H new ATOM 0 HB2 ASP A 72 -3.569 13.557 1.861 1.00 63.11 H new ATOM 0 HB3 ASP A 72 -1.965 14.161 1.496 1.00 63.11 H new ATOM 1157 N THR A 73 -1.136 14.543 -1.359 1.00 44.54 N ATOM 1158 CA THR A 73 -0.201 15.413 -2.096 1.00 25.44 C ATOM 1159 C THR A 73 0.047 14.963 -3.546 1.00 13.03 C ATOM 1160 O THR A 73 0.423 15.787 -4.382 1.00 4.32 O ATOM 1161 CB THR A 73 1.102 15.585 -1.279 1.00 2.14 C ATOM 1162 OG1 THR A 73 1.906 16.666 -1.697 1.00 52.41 O ATOM 1163 CG2 THR A 73 1.997 14.352 -1.246 1.00 71.12 C ATOM 0 H THR A 73 -0.717 13.664 -1.055 1.00 44.54 H new ATOM 0 HA THR A 73 -0.669 16.391 -2.204 1.00 25.44 H new ATOM 0 HB THR A 73 0.710 15.776 -0.280 1.00 2.14 H new ATOM 0 HG1 THR A 73 2.708 16.713 -1.136 1.00 52.41 H new ATOM 0 HG21 THR A 73 2.886 14.564 -0.652 1.00 71.12 H new ATOM 0 HG22 THR A 73 1.453 13.519 -0.801 1.00 71.12 H new ATOM 0 HG23 THR A 73 2.293 14.090 -2.262 1.00 71.12 H new ATOM 1171 N ASN A 74 -0.131 13.687 -3.881 1.00 70.22 N ATOM 1172 CA ASN A 74 -0.027 13.128 -5.229 1.00 11.44 C ATOM 1173 C ASN A 74 -0.938 11.901 -5.305 1.00 73.41 C ATOM 1174 O ASN A 74 -0.456 10.761 -5.264 1.00 33.13 O ATOM 1175 CB ASN A 74 1.431 12.791 -5.598 1.00 3.11 C ATOM 1176 CG ASN A 74 1.570 12.179 -6.993 1.00 20.50 C ATOM 1177 OD1 ASN A 74 0.698 12.303 -7.849 1.00 64.01 O ATOM 1178 ND2 ASN A 74 2.667 11.504 -7.282 1.00 3.20 N ATOM 0 H ASN A 74 -0.363 12.978 -3.185 1.00 70.22 H new ATOM 0 HA ASN A 74 -0.351 13.868 -5.961 1.00 11.44 H new ATOM 0 HB2 ASN A 74 2.032 13.699 -5.544 1.00 3.11 H new ATOM 0 HB3 ASN A 74 1.835 12.097 -4.861 1.00 3.11 H new ATOM 0 HD21 ASN A 74 2.783 11.092 -8.208 1.00 3.20 H new ATOM 0 HD22 ASN A 74 3.398 11.394 -6.579 1.00 3.20 H new ATOM 1185 N PRO A 75 -2.261 12.115 -5.395 1.00 15.13 N ATOM 1186 CA PRO A 75 -3.220 11.027 -5.431 1.00 33.41 C ATOM 1187 C PRO A 75 -2.997 10.083 -6.605 1.00 43.24 C ATOM 1188 O PRO A 75 -3.207 8.881 -6.436 1.00 41.21 O ATOM 1189 CB PRO A 75 -4.605 11.684 -5.462 1.00 41.40 C ATOM 1190 CG PRO A 75 -4.349 13.113 -5.931 1.00 44.22 C ATOM 1191 CD PRO A 75 -2.961 13.395 -5.367 1.00 41.42 C ATOM 0 HA PRO A 75 -3.110 10.388 -4.555 1.00 33.41 H new ATOM 0 HB2 PRO A 75 -5.277 11.159 -6.141 1.00 41.40 H new ATOM 0 HB3 PRO A 75 -5.072 11.669 -4.477 1.00 41.40 H new ATOM 0 HG2 PRO A 75 -4.371 13.195 -7.018 1.00 44.22 H new ATOM 0 HG3 PRO A 75 -5.094 13.808 -5.544 1.00 44.22 H new ATOM 0 HD2 PRO A 75 -2.438 14.141 -5.966 1.00 41.42 H new ATOM 0 HD3 PRO A 75 -3.022 13.787 -4.352 1.00 41.42 H new ATOM 1199 N GLU A 76 -2.532 10.601 -7.746 1.00 64.04 N ATOM 1200 CA GLU A 76 -2.196 9.846 -8.949 1.00 3.53 C ATOM 1201 C GLU A 76 -1.073 8.851 -8.667 1.00 13.22 C ATOM 1202 O GLU A 76 -1.161 7.688 -9.048 1.00 72.53 O ATOM 1203 CB GLU A 76 -1.749 10.845 -10.026 1.00 2.11 C ATOM 1204 CG GLU A 76 -1.638 10.205 -11.417 1.00 10.35 C ATOM 1205 CD GLU A 76 -1.665 11.238 -12.552 1.00 34.31 C ATOM 1206 OE1 GLU A 76 -1.222 12.393 -12.363 1.00 65.53 O ATOM 1207 OE2 GLU A 76 -2.145 10.894 -13.655 1.00 23.32 O ATOM 0 H GLU A 76 -2.374 11.602 -7.857 1.00 64.04 H new ATOM 0 HA GLU A 76 -3.066 9.282 -9.285 1.00 3.53 H new ATOM 0 HB2 GLU A 76 -2.458 11.671 -10.066 1.00 2.11 H new ATOM 0 HB3 GLU A 76 -0.784 11.267 -9.746 1.00 2.11 H new ATOM 0 HG2 GLU A 76 -0.712 9.632 -11.475 1.00 10.35 H new ATOM 0 HG3 GLU A 76 -2.458 9.500 -11.554 1.00 10.35 H new ATOM 1214 N GLY A 77 -0.009 9.301 -8.002 1.00 13.23 N ATOM 1215 CA GLY A 77 1.127 8.459 -7.658 1.00 23.41 C ATOM 1216 C GLY A 77 0.695 7.323 -6.743 1.00 62.35 C ATOM 1217 O GLY A 77 0.947 6.156 -7.052 1.00 42.50 O ATOM 0 H GLY A 77 0.085 10.266 -7.687 1.00 13.23 H new ATOM 0 HA2 GLY A 77 1.573 8.052 -8.566 1.00 23.41 H new ATOM 0 HA3 GLY A 77 1.894 9.057 -7.166 1.00 23.41 H new ATOM 1221 N PHE A 78 0.041 7.656 -5.628 1.00 54.13 N ATOM 1222 CA PHE A 78 -0.459 6.672 -4.671 1.00 24.20 C ATOM 1223 C PHE A 78 -1.398 5.680 -5.364 1.00 32.01 C ATOM 1224 O PHE A 78 -1.290 4.481 -5.132 1.00 31.42 O ATOM 1225 CB PHE A 78 -1.174 7.418 -3.536 1.00 1.34 C ATOM 1226 CG PHE A 78 -1.624 6.565 -2.365 1.00 4.44 C ATOM 1227 CD1 PHE A 78 -2.840 5.863 -2.430 1.00 70.13 C ATOM 1228 CD2 PHE A 78 -0.860 6.511 -1.181 1.00 31.20 C ATOM 1229 CE1 PHE A 78 -3.299 5.147 -1.314 1.00 52.44 C ATOM 1230 CE2 PHE A 78 -1.302 5.759 -0.078 1.00 4.12 C ATOM 1231 CZ PHE A 78 -2.526 5.078 -0.146 1.00 71.44 C ATOM 0 H PHE A 78 -0.157 8.621 -5.364 1.00 54.13 H new ATOM 0 HA PHE A 78 0.369 6.097 -4.257 1.00 24.20 H new ATOM 0 HB2 PHE A 78 -0.507 8.194 -3.160 1.00 1.34 H new ATOM 0 HB3 PHE A 78 -2.047 7.921 -3.951 1.00 1.34 H new ATOM 0 HD1 PHE A 78 -3.422 5.875 -3.340 1.00 70.13 H new ATOM 0 HD2 PHE A 78 0.073 7.052 -1.121 1.00 31.20 H new ATOM 0 HE1 PHE A 78 -4.255 4.645 -1.355 1.00 52.44 H new ATOM 0 HE2 PHE A 78 -0.701 5.706 0.818 1.00 4.12 H new ATOM 0 HZ PHE A 78 -2.873 4.502 0.699 1.00 71.44 H new ATOM 1241 N ASN A 79 -2.284 6.171 -6.233 1.00 30.22 N ATOM 1242 CA ASN A 79 -3.190 5.377 -7.056 1.00 71.24 C ATOM 1243 C ASN A 79 -2.438 4.338 -7.883 1.00 44.32 C ATOM 1244 O ASN A 79 -2.711 3.151 -7.745 1.00 30.14 O ATOM 1245 CB ASN A 79 -3.988 6.318 -7.958 1.00 53.12 C ATOM 1246 CG ASN A 79 -4.607 5.603 -9.141 1.00 63.22 C ATOM 1247 OD1 ASN A 79 -5.578 4.880 -8.971 1.00 71.23 O ATOM 1248 ND2 ASN A 79 -4.076 5.817 -10.332 1.00 40.20 N ATOM 0 H ASN A 79 -2.392 7.174 -6.387 1.00 30.22 H new ATOM 0 HA ASN A 79 -3.869 4.827 -6.404 1.00 71.24 H new ATOM 0 HB2 ASN A 79 -4.775 6.795 -7.374 1.00 53.12 H new ATOM 0 HB3 ASN A 79 -3.334 7.111 -8.319 1.00 53.12 H new ATOM 0 HD21 ASN A 79 -4.477 5.371 -11.157 1.00 40.20 H new ATOM 0 HD22 ASN A 79 -3.265 6.429 -10.426 1.00 40.20 H new ATOM 1255 N GLN A 80 -1.481 4.768 -8.711 1.00 22.12 N ATOM 1256 CA GLN A 80 -0.702 3.855 -9.543 1.00 1.50 C ATOM 1257 C GLN A 80 0.003 2.788 -8.693 1.00 25.43 C ATOM 1258 O GLN A 80 0.100 1.629 -9.092 1.00 40.42 O ATOM 1259 CB GLN A 80 0.310 4.648 -10.388 1.00 23.43 C ATOM 1260 CG GLN A 80 -0.332 5.508 -11.488 1.00 53.13 C ATOM 1261 CD GLN A 80 0.578 5.679 -12.703 1.00 74.03 C ATOM 1262 OE1 GLN A 80 0.524 4.885 -13.633 1.00 62.35 O ATOM 1263 NE2 GLN A 80 1.378 6.731 -12.790 1.00 55.30 N ATOM 0 H GLN A 80 -1.228 5.750 -8.821 1.00 22.12 H new ATOM 0 HA GLN A 80 -1.384 3.334 -10.214 1.00 1.50 H new ATOM 0 HB2 GLN A 80 0.891 5.293 -9.729 1.00 23.43 H new ATOM 0 HB3 GLN A 80 1.009 3.950 -10.848 1.00 23.43 H new ATOM 0 HG2 GLN A 80 -1.270 5.050 -11.802 1.00 53.13 H new ATOM 0 HG3 GLN A 80 -0.577 6.489 -11.081 1.00 53.13 H new ATOM 0 HE21 GLN A 80 1.429 7.398 -12.020 1.00 55.30 H new ATOM 0 HE22 GLN A 80 1.943 6.874 -13.627 1.00 55.30 H new ATOM 1272 N LEU A 81 0.449 3.158 -7.490 1.00 15.33 N ATOM 1273 CA LEU A 81 1.093 2.244 -6.556 1.00 64.34 C ATOM 1274 C LEU A 81 0.136 1.145 -6.110 1.00 14.31 C ATOM 1275 O LEU A 81 0.524 -0.023 -6.029 1.00 61.32 O ATOM 1276 CB LEU A 81 1.559 3.029 -5.327 1.00 21.20 C ATOM 1277 CG LEU A 81 2.785 2.384 -4.667 1.00 15.43 C ATOM 1278 CD1 LEU A 81 3.795 3.441 -4.241 1.00 42.45 C ATOM 1279 CD2 LEU A 81 2.374 1.569 -3.446 1.00 24.43 C ATOM 0 H LEU A 81 0.370 4.112 -7.137 1.00 15.33 H new ATOM 0 HA LEU A 81 1.941 1.780 -7.059 1.00 64.34 H new ATOM 0 HB2 LEU A 81 1.800 4.051 -5.619 1.00 21.20 H new ATOM 0 HB3 LEU A 81 0.746 3.087 -4.604 1.00 21.20 H new ATOM 0 HG LEU A 81 3.245 1.726 -5.405 1.00 15.43 H new ATOM 0 HD11 LEU A 81 4.654 2.957 -3.776 1.00 42.45 H new ATOM 0 HD12 LEU A 81 4.124 4.003 -5.115 1.00 42.45 H new ATOM 0 HD13 LEU A 81 3.331 4.121 -3.526 1.00 42.45 H new ATOM 0 HD21 LEU A 81 3.258 1.120 -2.993 1.00 24.43 H new ATOM 0 HD22 LEU A 81 1.886 2.221 -2.721 1.00 24.43 H new ATOM 0 HD23 LEU A 81 1.683 0.782 -3.749 1.00 24.43 H new ATOM 1291 N MET A 82 -1.101 1.539 -5.788 1.00 63.12 N ATOM 1292 CA MET A 82 -2.154 0.612 -5.422 1.00 15.13 C ATOM 1293 C MET A 82 -2.494 -0.311 -6.584 1.00 44.50 C ATOM 1294 O MET A 82 -2.611 -1.518 -6.375 1.00 4.33 O ATOM 1295 CB MET A 82 -3.433 1.323 -4.957 1.00 45.35 C ATOM 1296 CG MET A 82 -3.220 2.133 -3.679 1.00 62.14 C ATOM 1297 SD MET A 82 -4.726 2.419 -2.733 1.00 22.14 S ATOM 1298 CE MET A 82 -4.736 0.884 -1.783 1.00 41.50 C ATOM 0 H MET A 82 -1.392 2.517 -5.777 1.00 63.12 H new ATOM 0 HA MET A 82 -1.767 0.030 -4.586 1.00 15.13 H new ATOM 0 HB2 MET A 82 -3.785 1.985 -5.748 1.00 45.35 H new ATOM 0 HB3 MET A 82 -4.215 0.583 -4.788 1.00 45.35 H new ATOM 0 HG2 MET A 82 -2.500 1.613 -3.047 1.00 62.14 H new ATOM 0 HG3 MET A 82 -2.779 3.095 -3.940 1.00 62.14 H new ATOM 0 HE1 MET A 82 -5.472 0.956 -0.982 1.00 41.50 H new ATOM 0 HE2 MET A 82 -4.994 0.052 -2.439 1.00 41.50 H new ATOM 0 HE3 MET A 82 -3.748 0.715 -1.354 1.00 41.50 H new ATOM 1308 N HIS A 83 -2.616 0.237 -7.798 1.00 44.22 N ATOM 1309 CA HIS A 83 -2.912 -0.538 -8.993 1.00 52.55 C ATOM 1310 C HIS A 83 -1.888 -1.646 -9.160 1.00 24.21 C ATOM 1311 O HIS A 83 -2.270 -2.803 -9.262 1.00 34.30 O ATOM 1312 CB HIS A 83 -2.961 0.361 -10.232 1.00 5.31 C ATOM 1313 CG HIS A 83 -3.405 -0.353 -11.489 1.00 14.31 C ATOM 1314 ND1 HIS A 83 -2.867 -0.198 -12.747 1.00 10.34 N ATOM 1315 CD2 HIS A 83 -4.393 -1.295 -11.588 1.00 4.21 C ATOM 1316 CE1 HIS A 83 -3.558 -0.976 -13.595 1.00 32.12 C ATOM 1317 NE2 HIS A 83 -4.523 -1.638 -12.938 1.00 43.11 N ATOM 0 H HIS A 83 -2.510 1.236 -7.973 1.00 44.22 H new ATOM 0 HA HIS A 83 -3.897 -0.992 -8.879 1.00 52.55 H new ATOM 0 HB2 HIS A 83 -3.639 1.192 -10.039 1.00 5.31 H new ATOM 0 HB3 HIS A 83 -1.972 0.788 -10.398 1.00 5.31 H new ATOM 0 HD2 HIS A 83 -4.969 -1.701 -10.770 1.00 4.21 H new ATOM 0 HE1 HIS A 83 -3.365 -1.058 -14.654 1.00 32.12 H new ATOM 0 HE2 HIS A 83 -5.215 -2.268 -13.343 1.00 43.11 H new ATOM 1325 N PHE A 84 -0.597 -1.312 -9.104 1.00 33.41 N ATOM 1326 CA PHE A 84 0.490 -2.278 -9.168 1.00 4.55 C ATOM 1327 C PHE A 84 0.286 -3.436 -8.182 1.00 13.23 C ATOM 1328 O PHE A 84 0.585 -4.583 -8.517 1.00 72.35 O ATOM 1329 CB PHE A 84 1.804 -1.527 -8.921 1.00 51.32 C ATOM 1330 CG PHE A 84 3.029 -2.383 -8.673 1.00 35.11 C ATOM 1331 CD1 PHE A 84 3.244 -2.947 -7.401 1.00 71.12 C ATOM 1332 CD2 PHE A 84 3.988 -2.560 -9.683 1.00 50.13 C ATOM 1333 CE1 PHE A 84 4.441 -3.622 -7.116 1.00 50.34 C ATOM 1334 CE2 PHE A 84 5.184 -3.241 -9.402 1.00 21.13 C ATOM 1335 CZ PHE A 84 5.422 -3.750 -8.115 1.00 53.25 C ATOM 0 H PHE A 84 -0.278 -0.348 -9.012 1.00 33.41 H new ATOM 0 HA PHE A 84 0.517 -2.742 -10.154 1.00 4.55 H new ATOM 0 HB2 PHE A 84 2.001 -0.889 -9.783 1.00 51.32 H new ATOM 0 HB3 PHE A 84 1.666 -0.870 -8.063 1.00 51.32 H new ATOM 0 HD1 PHE A 84 2.483 -2.860 -6.640 1.00 71.12 H new ATOM 0 HD2 PHE A 84 3.806 -2.173 -10.675 1.00 50.13 H new ATOM 0 HE1 PHE A 84 4.608 -4.041 -6.135 1.00 50.34 H new ATOM 0 HE2 PHE A 84 5.923 -3.374 -10.178 1.00 21.13 H new ATOM 0 HZ PHE A 84 6.359 -4.240 -7.893 1.00 53.25 H new ATOM 1345 N ALA A 85 -0.199 -3.175 -6.963 1.00 53.21 N ATOM 1346 CA ALA A 85 -0.483 -4.240 -6.012 1.00 34.51 C ATOM 1347 C ALA A 85 -1.547 -5.190 -6.565 1.00 34.51 C ATOM 1348 O ALA A 85 -1.295 -6.393 -6.658 1.00 35.43 O ATOM 1349 CB ALA A 85 -0.909 -3.666 -4.664 1.00 24.11 C ATOM 0 H ALA A 85 -0.400 -2.236 -6.618 1.00 53.21 H new ATOM 0 HA ALA A 85 0.432 -4.811 -5.858 1.00 34.51 H new ATOM 0 HB1 ALA A 85 -1.116 -4.481 -3.970 1.00 24.11 H new ATOM 0 HB2 ALA A 85 -0.108 -3.044 -4.264 1.00 24.11 H new ATOM 0 HB3 ALA A 85 -1.808 -3.063 -4.793 1.00 24.11 H new ATOM 1355 N THR A 86 -2.709 -4.648 -6.935 1.00 50.24 N ATOM 1356 CA THR A 86 -3.823 -5.391 -7.503 1.00 1.42 C ATOM 1357 C THR A 86 -3.343 -6.191 -8.725 1.00 33.04 C ATOM 1358 O THR A 86 -3.566 -7.394 -8.792 1.00 51.31 O ATOM 1359 CB THR A 86 -4.960 -4.408 -7.854 1.00 61.35 C ATOM 1360 OG1 THR A 86 -5.170 -3.471 -6.806 1.00 21.33 O ATOM 1361 CG2 THR A 86 -6.281 -5.145 -8.081 1.00 54.01 C ATOM 0 H THR A 86 -2.901 -3.650 -6.843 1.00 50.24 H new ATOM 0 HA THR A 86 -4.213 -6.108 -6.781 1.00 1.42 H new ATOM 0 HB THR A 86 -4.653 -3.895 -8.765 1.00 61.35 H new ATOM 0 HG1 THR A 86 -5.894 -2.859 -7.054 1.00 21.33 H new ATOM 0 HG21 THR A 86 -7.062 -4.425 -8.326 1.00 54.01 H new ATOM 0 HG22 THR A 86 -6.167 -5.851 -8.904 1.00 54.01 H new ATOM 0 HG23 THR A 86 -6.557 -5.685 -7.175 1.00 54.01 H new ATOM 1369 N GLU A 87 -2.606 -5.558 -9.635 1.00 20.13 N ATOM 1370 CA GLU A 87 -2.153 -6.100 -10.907 1.00 43.25 C ATOM 1371 C GLU A 87 -1.344 -7.378 -10.709 1.00 73.20 C ATOM 1372 O GLU A 87 -1.650 -8.407 -11.322 1.00 71.15 O ATOM 1373 CB GLU A 87 -1.303 -5.021 -11.599 1.00 53.12 C ATOM 1374 CG GLU A 87 -2.120 -3.921 -12.270 1.00 72.54 C ATOM 1375 CD GLU A 87 -2.814 -4.422 -13.527 1.00 43.21 C ATOM 1376 OE1 GLU A 87 -3.870 -5.085 -13.402 1.00 33.13 O ATOM 1377 OE2 GLU A 87 -2.275 -4.174 -14.631 1.00 43.14 O ATOM 0 H GLU A 87 -2.293 -4.598 -9.493 1.00 20.13 H new ATOM 0 HA GLU A 87 -3.012 -6.363 -11.524 1.00 43.25 H new ATOM 0 HB2 GLU A 87 -0.640 -4.568 -10.862 1.00 53.12 H new ATOM 0 HB3 GLU A 87 -0.670 -5.497 -12.348 1.00 53.12 H new ATOM 0 HG2 GLU A 87 -2.865 -3.542 -11.570 1.00 72.54 H new ATOM 0 HG3 GLU A 87 -1.467 -3.086 -12.523 1.00 72.54 H new ATOM 1384 N ASN A 88 -0.347 -7.320 -9.819 1.00 22.21 N ATOM 1385 CA ASN A 88 0.569 -8.421 -9.519 1.00 42.41 C ATOM 1386 C ASN A 88 -0.091 -9.465 -8.609 1.00 35.11 C ATOM 1387 O ASN A 88 0.523 -10.486 -8.280 1.00 65.21 O ATOM 1388 CB ASN A 88 1.842 -7.867 -8.864 1.00 42.35 C ATOM 1389 CG ASN A 88 2.706 -7.044 -9.815 1.00 33.10 C ATOM 1390 OD1 ASN A 88 3.280 -7.539 -10.782 1.00 73.23 O ATOM 1391 ND2 ASN A 88 2.838 -5.755 -9.563 1.00 60.44 N ATOM 0 H ASN A 88 -0.151 -6.481 -9.273 1.00 22.21 H new ATOM 0 HA ASN A 88 0.829 -8.918 -10.454 1.00 42.41 H new ATOM 0 HB2 ASN A 88 1.563 -7.248 -8.011 1.00 42.35 H new ATOM 0 HB3 ASN A 88 2.432 -8.697 -8.476 1.00 42.35 H new ATOM 0 HD21 ASN A 88 3.415 -5.173 -10.170 1.00 60.44 H new ATOM 0 HD22 ASN A 88 2.363 -5.341 -8.761 1.00 60.44 H new ATOM 1398 N GLN A 89 -1.351 -9.231 -8.218 1.00 62.35 N ATOM 1399 CA GLN A 89 -2.147 -10.020 -7.291 1.00 12.15 C ATOM 1400 C GLN A 89 -1.504 -10.092 -5.897 1.00 62.32 C ATOM 1401 O GLN A 89 -1.586 -11.116 -5.206 1.00 24.31 O ATOM 1402 CB GLN A 89 -2.461 -11.420 -7.840 1.00 71.31 C ATOM 1403 CG GLN A 89 -2.783 -11.565 -9.335 1.00 22.14 C ATOM 1404 CD GLN A 89 -4.113 -10.956 -9.766 1.00 43.43 C ATOM 1405 OE1 GLN A 89 -5.165 -11.583 -9.654 1.00 43.14 O ATOM 1406 NE2 GLN A 89 -4.103 -9.753 -10.305 1.00 52.13 N ATOM 0 H GLN A 89 -1.870 -8.427 -8.571 1.00 62.35 H new ATOM 0 HA GLN A 89 -3.099 -9.500 -7.181 1.00 12.15 H new ATOM 0 HB2 GLN A 89 -1.607 -12.061 -7.621 1.00 71.31 H new ATOM 0 HB3 GLN A 89 -3.308 -11.814 -7.279 1.00 71.31 H new ATOM 0 HG2 GLN A 89 -1.983 -11.100 -9.911 1.00 22.14 H new ATOM 0 HG3 GLN A 89 -2.785 -12.625 -9.590 1.00 22.14 H new ATOM 0 HE21 GLN A 89 -3.225 -9.241 -10.393 1.00 52.13 H new ATOM 0 HE22 GLN A 89 -4.973 -9.334 -10.634 1.00 52.13 H new ATOM 1415 N LEU A 90 -0.830 -9.018 -5.492 1.00 30.51 N ATOM 1416 CA LEU A 90 -0.298 -8.867 -4.149 1.00 43.11 C ATOM 1417 C LEU A 90 -1.449 -8.606 -3.194 1.00 72.01 C ATOM 1418 O LEU A 90 -2.475 -8.035 -3.578 1.00 31.44 O ATOM 1419 CB LEU A 90 0.716 -7.715 -4.095 1.00 73.32 C ATOM 1420 CG LEU A 90 1.975 -8.001 -4.930 1.00 65.44 C ATOM 1421 CD1 LEU A 90 2.877 -6.766 -5.033 1.00 60.13 C ATOM 1422 CD2 LEU A 90 2.803 -9.156 -4.360 1.00 64.44 C ATOM 0 H LEU A 90 -0.638 -8.221 -6.099 1.00 30.51 H new ATOM 0 HA LEU A 90 0.220 -9.781 -3.858 1.00 43.11 H new ATOM 0 HB2 LEU A 90 0.243 -6.802 -4.457 1.00 73.32 H new ATOM 0 HB3 LEU A 90 1.004 -7.536 -3.059 1.00 73.32 H new ATOM 0 HG LEU A 90 1.613 -8.278 -5.920 1.00 65.44 H new ATOM 0 HD11 LEU A 90 3.756 -7.007 -5.630 1.00 60.13 H new ATOM 0 HD12 LEU A 90 2.328 -5.953 -5.507 1.00 60.13 H new ATOM 0 HD13 LEU A 90 3.189 -6.459 -4.035 1.00 60.13 H new ATOM 0 HD21 LEU A 90 3.681 -9.318 -4.986 1.00 64.44 H new ATOM 0 HD22 LEU A 90 3.120 -8.911 -3.346 1.00 64.44 H new ATOM 0 HD23 LEU A 90 2.198 -10.063 -4.342 1.00 64.44 H new ATOM 1434 N ASN A 91 -1.281 -9.025 -1.944 1.00 22.24 N ATOM 1435 CA ASN A 91 -2.234 -8.675 -0.904 1.00 44.14 C ATOM 1436 C ASN A 91 -2.014 -7.206 -0.520 1.00 1.30 C ATOM 1437 O ASN A 91 -0.897 -6.682 -0.620 1.00 34.14 O ATOM 1438 CB ASN A 91 -2.106 -9.629 0.292 1.00 53.53 C ATOM 1439 CG ASN A 91 -3.436 -9.770 1.033 1.00 64.15 C ATOM 1440 OD1 ASN A 91 -4.331 -8.934 0.907 1.00 32.21 O ATOM 1441 ND2 ASN A 91 -3.575 -10.830 1.809 1.00 42.04 N ATOM 0 H ASN A 91 -0.500 -9.602 -1.631 1.00 22.24 H new ATOM 0 HA ASN A 91 -3.256 -8.785 -1.267 1.00 44.14 H new ATOM 0 HB2 ASN A 91 -1.774 -10.608 -0.054 1.00 53.53 H new ATOM 0 HB3 ASN A 91 -1.343 -9.258 0.976 1.00 53.53 H new ATOM 0 HD21 ASN A 91 -4.443 -10.974 2.325 1.00 42.04 H new ATOM 0 HD22 ASN A 91 -2.814 -11.505 1.892 1.00 42.04 H new ATOM 1448 N ILE A 92 -3.075 -6.532 -0.088 1.00 21.34 N ATOM 1449 CA ILE A 92 -3.105 -5.127 0.285 1.00 24.42 C ATOM 1450 C ILE A 92 -3.617 -5.171 1.711 1.00 30.14 C ATOM 1451 O ILE A 92 -4.804 -5.410 1.914 1.00 72.40 O ATOM 1452 CB ILE A 92 -4.021 -4.292 -0.635 1.00 74.30 C ATOM 1453 CG1 ILE A 92 -3.592 -4.432 -2.111 1.00 53.54 C ATOM 1454 CG2 ILE A 92 -3.981 -2.808 -0.200 1.00 52.53 C ATOM 1455 CD1 ILE A 92 -4.657 -3.915 -3.075 1.00 55.54 C ATOM 0 H ILE A 92 -3.986 -6.979 0.016 1.00 21.34 H new ATOM 0 HA ILE A 92 -2.133 -4.642 0.191 1.00 24.42 H new ATOM 0 HB ILE A 92 -5.041 -4.665 -0.545 1.00 74.30 H new ATOM 0 HG12 ILE A 92 -2.663 -3.884 -2.271 1.00 53.54 H new ATOM 0 HG13 ILE A 92 -3.385 -5.480 -2.329 1.00 53.54 H new ATOM 0 HG21 ILE A 92 -4.628 -2.220 -0.851 1.00 52.53 H new ATOM 0 HG22 ILE A 92 -4.327 -2.721 0.830 1.00 52.53 H new ATOM 0 HG23 ILE A 92 -2.959 -2.435 -0.272 1.00 52.53 H new ATOM 0 HD11 ILE A 92 -4.308 -4.035 -4.101 1.00 55.54 H new ATOM 0 HD12 ILE A 92 -5.579 -4.480 -2.936 1.00 55.54 H new ATOM 0 HD13 ILE A 92 -4.846 -2.860 -2.877 1.00 55.54 H new ATOM 1467 N LEU A 93 -2.719 -5.060 2.681 1.00 64.04 N ATOM 1468 CA LEU A 93 -3.102 -5.103 4.079 1.00 4.02 C ATOM 1469 C LEU A 93 -3.273 -3.673 4.594 1.00 4.22 C ATOM 1470 O LEU A 93 -2.845 -2.699 3.963 1.00 15.14 O ATOM 1471 CB LEU A 93 -2.073 -5.925 4.870 1.00 21.22 C ATOM 1472 CG LEU A 93 -2.341 -7.437 4.943 1.00 74.40 C ATOM 1473 CD1 LEU A 93 -2.654 -8.096 3.606 1.00 2.34 C ATOM 1474 CD2 LEU A 93 -1.104 -8.142 5.501 1.00 64.12 C ATOM 0 H LEU A 93 -1.719 -4.939 2.521 1.00 64.04 H new ATOM 0 HA LEU A 93 -4.061 -5.604 4.210 1.00 4.02 H new ATOM 0 HB2 LEU A 93 -1.091 -5.770 4.423 1.00 21.22 H new ATOM 0 HB3 LEU A 93 -2.026 -5.533 5.886 1.00 21.22 H new ATOM 0 HG LEU A 93 -3.221 -7.539 5.577 1.00 74.40 H new ATOM 0 HD11 LEU A 93 -2.828 -9.161 3.757 1.00 2.34 H new ATOM 0 HD12 LEU A 93 -3.545 -7.640 3.175 1.00 2.34 H new ATOM 0 HD13 LEU A 93 -1.812 -7.959 2.927 1.00 2.34 H new ATOM 0 HD21 LEU A 93 -1.290 -9.215 5.555 1.00 64.12 H new ATOM 0 HD22 LEU A 93 -0.252 -7.953 4.848 1.00 64.12 H new ATOM 0 HD23 LEU A 93 -0.887 -7.761 6.499 1.00 64.12 H new ATOM 1486 N ASP A 94 -3.908 -3.541 5.749 1.00 52.23 N ATOM 1487 CA ASP A 94 -4.009 -2.298 6.500 1.00 32.01 C ATOM 1488 C ASP A 94 -2.910 -2.234 7.549 1.00 3.44 C ATOM 1489 O ASP A 94 -2.115 -3.163 7.712 1.00 12.43 O ATOM 1490 CB ASP A 94 -5.385 -2.142 7.169 1.00 42.33 C ATOM 1491 CG ASP A 94 -5.615 -2.978 8.435 1.00 72.44 C ATOM 1492 OD1 ASP A 94 -4.829 -3.911 8.700 1.00 14.44 O ATOM 1493 OD2 ASP A 94 -6.566 -2.687 9.193 1.00 54.35 O ATOM 0 H ASP A 94 -4.382 -4.321 6.204 1.00 52.23 H new ATOM 0 HA ASP A 94 -3.890 -1.475 5.795 1.00 32.01 H new ATOM 0 HB2 ASP A 94 -5.528 -1.091 7.420 1.00 42.33 H new ATOM 0 HB3 ASP A 94 -6.153 -2.403 6.441 1.00 42.33 H new ATOM 1498 N ALA A 95 -2.890 -1.137 8.300 1.00 24.35 N ATOM 1499 CA ALA A 95 -1.874 -0.897 9.318 1.00 12.20 C ATOM 1500 C ALA A 95 -1.782 -2.023 10.363 1.00 32.21 C ATOM 1501 O ALA A 95 -0.732 -2.170 10.999 1.00 23.52 O ATOM 1502 CB ALA A 95 -2.105 0.461 9.992 1.00 1.14 C ATOM 0 H ALA A 95 -3.579 -0.389 8.219 1.00 24.35 H new ATOM 0 HA ALA A 95 -0.912 -0.884 8.805 1.00 12.20 H new ATOM 0 HB1 ALA A 95 -1.339 0.626 10.750 1.00 1.14 H new ATOM 0 HB2 ALA A 95 -2.052 1.252 9.244 1.00 1.14 H new ATOM 0 HB3 ALA A 95 -3.088 0.471 10.462 1.00 1.14 H new ATOM 1508 N GLU A 96 -2.832 -2.823 10.557 1.00 60.23 N ATOM 1509 CA GLU A 96 -2.810 -3.983 11.434 1.00 12.51 C ATOM 1510 C GLU A 96 -2.274 -5.219 10.717 1.00 63.03 C ATOM 1511 O GLU A 96 -1.496 -5.962 11.309 1.00 25.12 O ATOM 1512 CB GLU A 96 -4.202 -4.255 11.999 1.00 5.24 C ATOM 1513 CG GLU A 96 -4.564 -3.216 13.061 1.00 65.03 C ATOM 1514 CD GLU A 96 -5.890 -3.573 13.720 1.00 35.13 C ATOM 1515 OE1 GLU A 96 -5.925 -4.495 14.563 1.00 35.14 O ATOM 1516 OE2 GLU A 96 -6.914 -2.911 13.427 1.00 41.33 O ATOM 0 H GLU A 96 -3.732 -2.677 10.100 1.00 60.23 H new ATOM 0 HA GLU A 96 -2.134 -3.759 12.259 1.00 12.51 H new ATOM 0 HB2 GLU A 96 -4.938 -4.233 11.195 1.00 5.24 H new ATOM 0 HB3 GLU A 96 -4.235 -5.254 12.434 1.00 5.24 H new ATOM 0 HG2 GLU A 96 -3.778 -3.167 13.814 1.00 65.03 H new ATOM 0 HG3 GLU A 96 -4.631 -2.228 12.605 1.00 65.03 H new ATOM 1523 N GLY A 97 -2.613 -5.437 9.453 1.00 42.41 N ATOM 1524 CA GLY A 97 -2.415 -6.694 8.749 1.00 42.11 C ATOM 1525 C GLY A 97 -3.723 -7.374 8.326 1.00 34.13 C ATOM 1526 O GLY A 97 -3.703 -8.573 8.025 1.00 22.21 O ATOM 0 H GLY A 97 -3.047 -4.720 8.872 1.00 42.41 H new ATOM 0 HA2 GLY A 97 -1.807 -6.513 7.863 1.00 42.11 H new ATOM 0 HA3 GLY A 97 -1.852 -7.374 9.388 1.00 42.11 H new ATOM 1530 N ASN A 98 -4.860 -6.673 8.329 1.00 71.41 N ATOM 1531 CA ASN A 98 -6.114 -7.106 7.699 1.00 5.41 C ATOM 1532 C ASN A 98 -6.032 -6.817 6.206 1.00 52.14 C ATOM 1533 O ASN A 98 -5.667 -5.701 5.851 1.00 10.31 O ATOM 1534 CB ASN A 98 -7.313 -6.303 8.225 1.00 22.42 C ATOM 1535 CG ASN A 98 -7.437 -6.326 9.737 1.00 74.14 C ATOM 1536 OD1 ASN A 98 -7.645 -7.382 10.330 1.00 44.42 O ATOM 1537 ND2 ASN A 98 -7.306 -5.182 10.380 1.00 51.11 N ATOM 0 H ASN A 98 -4.938 -5.762 8.782 1.00 71.41 H new ATOM 0 HA ASN A 98 -6.248 -8.165 7.919 1.00 5.41 H new ATOM 0 HB2 ASN A 98 -7.223 -5.269 7.891 1.00 22.42 H new ATOM 0 HB3 ASN A 98 -8.228 -6.701 7.787 1.00 22.42 H new ATOM 0 HD21 ASN A 98 -7.377 -5.158 11.397 1.00 51.11 H new ATOM 0 HD22 ASN A 98 -7.134 -4.322 9.860 1.00 51.11 H new ATOM 1544 N SER A 99 -6.367 -7.763 5.332 1.00 42.45 N ATOM 1545 CA SER A 99 -6.506 -7.486 3.907 1.00 11.25 C ATOM 1546 C SER A 99 -7.700 -6.557 3.671 1.00 52.13 C ATOM 1547 O SER A 99 -8.793 -6.839 4.169 1.00 11.55 O ATOM 1548 CB SER A 99 -6.634 -8.792 3.123 1.00 2.23 C ATOM 1549 OG SER A 99 -7.522 -9.728 3.728 1.00 32.43 O ATOM 0 H SER A 99 -6.548 -8.733 5.589 1.00 42.45 H new ATOM 0 HA SER A 99 -5.612 -6.977 3.546 1.00 11.25 H new ATOM 0 HB2 SER A 99 -6.983 -8.570 2.115 1.00 2.23 H new ATOM 0 HB3 SER A 99 -5.648 -9.247 3.026 1.00 2.23 H new ATOM 0 HG SER A 99 -7.563 -10.540 3.181 1.00 32.43 H new ATOM 1555 N ILE A 100 -7.537 -5.506 2.869 1.00 11.21 N ATOM 1556 CA ILE A 100 -8.587 -4.542 2.542 1.00 51.14 C ATOM 1557 C ILE A 100 -8.637 -4.301 1.029 1.00 22.24 C ATOM 1558 O ILE A 100 -7.709 -4.640 0.294 1.00 62.43 O ATOM 1559 CB ILE A 100 -8.397 -3.236 3.356 1.00 45.34 C ATOM 1560 CG1 ILE A 100 -6.970 -2.643 3.256 1.00 24.42 C ATOM 1561 CG2 ILE A 100 -8.777 -3.475 4.831 1.00 72.14 C ATOM 1562 CD1 ILE A 100 -6.902 -1.176 3.698 1.00 40.32 C ATOM 0 H ILE A 100 -6.647 -5.296 2.417 1.00 11.21 H new ATOM 0 HA ILE A 100 -9.556 -4.950 2.828 1.00 51.14 H new ATOM 0 HB ILE A 100 -9.063 -2.495 2.913 1.00 45.34 H new ATOM 0 HG12 ILE A 100 -6.292 -3.235 3.871 1.00 24.42 H new ATOM 0 HG13 ILE A 100 -6.619 -2.724 2.227 1.00 24.42 H new ATOM 0 HG21 ILE A 100 -8.641 -2.553 5.396 1.00 72.14 H new ATOM 0 HG22 ILE A 100 -9.820 -3.787 4.892 1.00 72.14 H new ATOM 0 HG23 ILE A 100 -8.140 -4.254 5.249 1.00 72.14 H new ATOM 0 HD11 ILE A 100 -5.877 -0.815 3.606 1.00 40.32 H new ATOM 0 HD12 ILE A 100 -7.556 -0.575 3.066 1.00 40.32 H new ATOM 0 HD13 ILE A 100 -7.224 -1.093 4.736 1.00 40.32 H new ATOM 1574 N ASP A 101 -9.745 -3.723 0.554 1.00 61.04 N ATOM 1575 CA ASP A 101 -9.858 -3.218 -0.808 1.00 74.14 C ATOM 1576 C ASP A 101 -9.080 -1.913 -0.900 1.00 61.14 C ATOM 1577 O ASP A 101 -8.899 -1.203 0.087 1.00 74.13 O ATOM 1578 CB ASP A 101 -11.309 -2.891 -1.175 1.00 32.42 C ATOM 1579 CG ASP A 101 -12.003 -3.947 -2.024 1.00 53.21 C ATOM 1580 OD1 ASP A 101 -11.844 -3.880 -3.266 1.00 63.24 O ATOM 1581 OD2 ASP A 101 -12.852 -4.690 -1.479 1.00 32.01 O ATOM 0 H ASP A 101 -10.590 -3.594 1.111 1.00 61.04 H new ATOM 0 HA ASP A 101 -9.478 -3.986 -1.481 1.00 74.14 H new ATOM 0 HB2 ASP A 101 -11.879 -2.750 -0.257 1.00 32.42 H new ATOM 0 HB3 ASP A 101 -11.329 -1.942 -1.711 1.00 32.42 H new ATOM 1586 N ALA A 102 -8.760 -1.532 -2.128 1.00 3.42 N ATOM 1587 CA ALA A 102 -8.126 -0.248 -2.410 1.00 45.14 C ATOM 1588 C ALA A 102 -9.115 0.911 -2.277 1.00 24.43 C ATOM 1589 O ALA A 102 -8.728 1.998 -1.852 1.00 25.12 O ATOM 1590 CB ALA A 102 -7.495 -0.271 -3.803 1.00 30.34 C ATOM 0 H ALA A 102 -8.931 -2.101 -2.957 1.00 3.42 H new ATOM 0 HA ALA A 102 -7.342 -0.087 -1.670 1.00 45.14 H new ATOM 0 HB1 ALA A 102 -7.024 0.691 -4.005 1.00 30.34 H new ATOM 0 HB2 ALA A 102 -6.744 -1.059 -3.849 1.00 30.34 H new ATOM 0 HB3 ALA A 102 -8.267 -0.461 -4.549 1.00 30.34 H new ATOM 1596 N ALA A 103 -10.401 0.686 -2.584 1.00 33.30 N ATOM 1597 CA ALA A 103 -11.460 1.687 -2.432 1.00 62.33 C ATOM 1598 C ALA A 103 -11.492 2.230 -1.003 1.00 55.14 C ATOM 1599 O ALA A 103 -11.633 3.432 -0.791 1.00 74.21 O ATOM 1600 CB ALA A 103 -12.825 1.084 -2.791 1.00 74.42 C ATOM 0 H ALA A 103 -10.735 -0.206 -2.948 1.00 33.30 H new ATOM 0 HA ALA A 103 -11.246 2.510 -3.114 1.00 62.33 H new ATOM 0 HB1 ALA A 103 -13.600 1.841 -2.672 1.00 74.42 H new ATOM 0 HB2 ALA A 103 -12.810 0.739 -3.825 1.00 74.42 H new ATOM 0 HB3 ALA A 103 -13.036 0.243 -2.131 1.00 74.42 H new ATOM 1606 N GLN A 104 -11.287 1.343 -0.024 1.00 43.54 N ATOM 1607 CA GLN A 104 -11.298 1.654 1.399 1.00 25.33 C ATOM 1608 C GLN A 104 -10.073 2.472 1.838 1.00 1.15 C ATOM 1609 O GLN A 104 -9.914 2.716 3.035 1.00 74.22 O ATOM 1610 CB GLN A 104 -11.426 0.342 2.193 1.00 23.50 C ATOM 1611 CG GLN A 104 -12.708 -0.427 1.818 1.00 71.15 C ATOM 1612 CD GLN A 104 -13.534 -0.881 3.013 1.00 34.24 C ATOM 1613 OE1 GLN A 104 -14.002 -0.062 3.804 1.00 60.30 O ATOM 1614 NE2 GLN A 104 -13.783 -2.173 3.126 1.00 4.30 N ATOM 0 H GLN A 104 -11.103 0.358 -0.212 1.00 43.54 H new ATOM 0 HA GLN A 104 -12.158 2.290 1.608 1.00 25.33 H new ATOM 0 HB2 GLN A 104 -10.556 -0.286 2.002 1.00 23.50 H new ATOM 0 HB3 GLN A 104 -11.432 0.562 3.261 1.00 23.50 H new ATOM 0 HG2 GLN A 104 -13.326 0.207 1.183 1.00 71.15 H new ATOM 0 HG3 GLN A 104 -12.435 -1.301 1.226 1.00 71.15 H new ATOM 0 HE21 GLN A 104 -13.382 -2.830 2.457 1.00 4.30 H new ATOM 0 HE22 GLN A 104 -14.376 -2.514 3.883 1.00 4.30 H new ATOM 1623 N VAL A 105 -9.221 2.894 0.903 1.00 43.51 N ATOM 1624 CA VAL A 105 -8.046 3.726 1.107 1.00 44.41 C ATOM 1625 C VAL A 105 -8.170 5.002 0.271 1.00 63.52 C ATOM 1626 O VAL A 105 -7.767 6.072 0.713 1.00 13.43 O ATOM 1627 CB VAL A 105 -6.776 2.938 0.725 1.00 53.01 C ATOM 1628 CG1 VAL A 105 -5.516 3.688 1.155 1.00 62.12 C ATOM 1629 CG2 VAL A 105 -6.723 1.532 1.337 1.00 63.34 C ATOM 0 H VAL A 105 -9.346 2.645 -0.078 1.00 43.51 H new ATOM 0 HA VAL A 105 -7.972 4.006 2.158 1.00 44.41 H new ATOM 0 HB VAL A 105 -6.818 2.838 -0.360 1.00 53.01 H new ATOM 0 HG11 VAL A 105 -4.635 3.111 0.874 1.00 62.12 H new ATOM 0 HG12 VAL A 105 -5.485 4.660 0.663 1.00 62.12 H new ATOM 0 HG13 VAL A 105 -5.528 3.829 2.236 1.00 62.12 H new ATOM 0 HG21 VAL A 105 -5.804 1.035 1.027 1.00 63.34 H new ATOM 0 HG22 VAL A 105 -6.746 1.607 2.424 1.00 63.34 H new ATOM 0 HG23 VAL A 105 -7.581 0.954 0.995 1.00 63.34 H new ATOM 1639 N THR A 106 -8.715 4.914 -0.941 1.00 74.50 N ATOM 1640 CA THR A 106 -8.764 6.025 -1.882 1.00 21.50 C ATOM 1641 C THR A 106 -9.983 6.930 -1.649 1.00 45.42 C ATOM 1642 O THR A 106 -10.170 7.874 -2.411 1.00 44.23 O ATOM 1643 CB THR A 106 -8.673 5.463 -3.318 1.00 25.55 C ATOM 1644 OG1 THR A 106 -9.609 4.418 -3.518 1.00 2.32 O ATOM 1645 CG2 THR A 106 -7.264 4.907 -3.607 1.00 31.31 C ATOM 0 H THR A 106 -9.139 4.058 -1.299 1.00 74.50 H new ATOM 0 HA THR A 106 -7.908 6.681 -1.721 1.00 21.50 H new ATOM 0 HB THR A 106 -8.892 6.289 -3.994 1.00 25.55 H new ATOM 0 HG1 THR A 106 -9.532 4.081 -4.435 1.00 2.32 H new ATOM 0 HG21 THR A 106 -7.228 4.518 -4.625 1.00 31.31 H new ATOM 0 HG22 THR A 106 -6.529 5.704 -3.497 1.00 31.31 H new ATOM 0 HG23 THR A 106 -7.038 4.105 -2.904 1.00 31.31 H new