USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 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 57 HIS : no HE2:sc= -4.83! C(o=-3.9!,f=-6.9!) USER MOD Set 1.2: A 74 SER OG : rot -154:sc= 1.2 USER MOD Set 1.3: A 78 THR OG1 : rot 35:sc= -0.275 USER MOD Single : A 10 THR OG1 : rot 28:sc= 0.745 USER MOD Single : A 12 SER OG : rot -83:sc= 0.798 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -2.46 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 47:sc= 0.579 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 71:sc= 1.17 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.375 K(o=-0.37,f=0.93) USER MOD Single : A 70 GLN : amide:sc= -0.016 X(o=-0.016,f=0.028) USER MOD Single : A 81 ASN : amide:sc= -2.56 K(o=-2.6,f=-7.2!) USER MOD Single : A 82 SER OG : rot -50:sc= 0.587 USER MOD Single : A 83 ASN : amide:sc= -0.949! X(o=-0.95!,f=-0.73) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 90 SER OG : rot 36:sc= 0.182 USER MOD Single : A 92 ASN : amide:sc= -1.69 X(o=-1.7,f=-2.1!) USER MOD Single : A 100 LYS NZ :NH3+ 152:sc= -0.0504 (180deg=-0.778) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= -0.152 USER MOD Single : A 110 ASN : amide:sc= -4.92! C(o=-4.9!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 10 -11.269 -10.632 -2.978 1.00 0.00 N ATOM 100 CA THR A 10 -10.090 -9.808 -2.776 1.00 0.00 C ATOM 101 C THR A 10 -10.478 -8.462 -2.160 1.00 0.00 C ATOM 102 O THR A 10 -11.143 -7.650 -2.802 1.00 0.00 O ATOM 103 CB THR A 10 -9.370 -9.676 -4.120 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.494 -10.967 -4.709 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.860 -9.483 -3.959 1.00 0.00 C ATOM 0 HA THR A 10 -9.403 -10.268 -2.066 1.00 0.00 H new ATOM 0 HB THR A 10 -9.787 -8.834 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.305 -11.403 -4.373 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.398 -9.395 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.668 -8.576 -3.385 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.437 -10.340 -3.435 1.00 0.00 H new ATOM 113 N PRO A 11 -10.036 -8.263 -0.890 1.00 0.00 N ATOM 114 CA PRO A 11 -10.331 -7.030 -0.180 1.00 0.00 C ATOM 115 C PRO A 11 -9.466 -5.879 -0.698 1.00 0.00 C ATOM 116 O PRO A 11 -8.321 -6.088 -1.095 1.00 0.00 O ATOM 117 CB PRO A 11 -10.078 -7.349 1.285 1.00 0.00 C ATOM 118 CG PRO A 11 -9.211 -8.597 1.296 1.00 0.00 C ATOM 119 CD PRO A 11 -9.247 -9.202 -0.098 1.00 0.00 C ATOM 0 HA PRO A 11 -11.357 -6.694 -0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.576 -6.520 1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.015 -7.520 1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.188 -8.348 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.580 -9.312 2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.243 -9.317 -0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.703 -10.192 -0.088 1.00 0.00 H new ATOM 127 N SER A 12 -10.048 -4.688 -0.678 1.00 0.00 N ATOM 128 CA SER A 12 -9.346 -3.504 -1.141 1.00 0.00 C ATOM 129 C SER A 12 -8.143 -3.222 -0.238 1.00 0.00 C ATOM 130 O SER A 12 -8.191 -3.478 0.964 1.00 0.00 O ATOM 131 CB SER A 12 -10.277 -2.291 -1.178 1.00 0.00 C ATOM 132 OG SER A 12 -11.020 -2.225 -2.392 1.00 0.00 O ATOM 0 H SER A 12 -10.998 -4.519 -0.348 1.00 0.00 H new ATOM 0 HA SER A 12 -8.995 -3.690 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.965 -2.336 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.690 -1.380 -1.062 1.00 0.00 H new ATOM 0 HG SER A 12 -10.475 -1.800 -3.086 1.00 0.00 H new ATOM 138 N LEU A 13 -7.092 -2.699 -0.852 1.00 0.00 N ATOM 139 CA LEU A 13 -5.879 -2.380 -0.119 1.00 0.00 C ATOM 140 C LEU A 13 -5.941 -0.927 0.354 1.00 0.00 C ATOM 141 O LEU A 13 -5.876 -0.003 -0.456 1.00 0.00 O ATOM 142 CB LEU A 13 -4.643 -2.700 -0.962 1.00 0.00 C ATOM 143 CG LEU A 13 -3.335 -2.887 -0.191 1.00 0.00 C ATOM 144 CD1 LEU A 13 -2.427 -1.666 -0.347 1.00 0.00 C ATOM 145 CD2 LEU A 13 -3.606 -3.217 1.278 1.00 0.00 C ATOM 0 H LEU A 13 -7.055 -2.488 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.798 -3.003 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.840 -3.610 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.503 -1.897 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.805 -3.738 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.504 -1.825 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.193 -1.519 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.936 -0.782 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.659 -3.345 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.168 -2.403 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.184 -4.139 1.343 1.00 0.00 H new ATOM 157 N ARG A 14 -6.067 -0.769 1.664 1.00 0.00 N ATOM 158 CA ARG A 14 -6.139 0.557 2.254 1.00 0.00 C ATOM 159 C ARG A 14 -4.862 0.857 3.043 1.00 0.00 C ATOM 160 O ARG A 14 -4.593 0.221 4.060 1.00 0.00 O ATOM 161 CB ARG A 14 -7.346 0.680 3.186 1.00 0.00 C ATOM 162 CG ARG A 14 -7.394 2.061 3.842 1.00 0.00 C ATOM 163 CD ARG A 14 -8.180 2.018 5.154 1.00 0.00 C ATOM 164 NE ARG A 14 -9.193 3.097 5.173 1.00 0.00 N ATOM 165 CZ ARG A 14 -9.935 3.413 6.243 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.782 2.734 7.388 1.00 0.00 N ATOM 167 NH2 ARG A 14 -10.830 4.408 6.168 1.00 0.00 N ATOM 0 H ARG A 14 -6.121 -1.537 2.333 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.246 1.276 1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.264 0.509 2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.296 -0.090 3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.380 2.412 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.856 2.775 3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.667 1.049 5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.500 2.131 5.999 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.335 3.634 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.101 1.977 7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.347 2.974 8.203 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.946 4.925 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.395 4.648 6.983 1.00 0.00 H new ATOM 181 N LEU A 15 -4.110 1.826 2.542 1.00 0.00 N ATOM 182 CA LEU A 15 -2.868 2.218 3.187 1.00 0.00 C ATOM 183 C LEU A 15 -3.138 3.388 4.135 1.00 0.00 C ATOM 184 O LEU A 15 -3.409 4.503 3.690 1.00 0.00 O ATOM 185 CB LEU A 15 -1.791 2.510 2.141 1.00 0.00 C ATOM 186 CG LEU A 15 -1.333 1.318 1.299 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.497 1.779 0.103 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.589 0.293 2.157 1.00 0.00 C ATOM 0 H LEU A 15 -4.337 2.351 1.697 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.478 1.400 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.165 3.282 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.921 2.925 2.650 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.218 0.822 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.185 0.912 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.094 2.441 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.384 2.313 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.275 -0.544 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.288 0.761 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.249 -0.070 2.945 1.00 0.00 H new ATOM 200 N VAL A 16 -3.055 3.095 5.424 1.00 0.00 N ATOM 201 CA VAL A 16 -3.287 4.109 6.439 1.00 0.00 C ATOM 202 C VAL A 16 -1.943 4.650 6.930 1.00 0.00 C ATOM 203 O VAL A 16 -1.051 3.879 7.281 1.00 0.00 O ATOM 204 CB VAL A 16 -4.148 3.535 7.566 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.391 4.579 8.657 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.471 2.991 7.022 1.00 0.00 C ATOM 0 H VAL A 16 -2.830 2.170 5.789 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.842 4.948 6.020 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.603 2.704 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.006 4.145 9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.436 4.898 9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.905 5.440 8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.064 2.589 7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.023 3.796 6.536 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.270 2.201 6.299 1.00 0.00 H new ATOM 216 N PHE A 17 -1.840 5.971 6.940 1.00 0.00 N ATOM 217 CA PHE A 17 -0.620 6.623 7.382 1.00 0.00 C ATOM 218 C PHE A 17 -0.645 6.866 8.892 1.00 0.00 C ATOM 219 O PHE A 17 -0.996 7.955 9.344 1.00 0.00 O ATOM 220 CB PHE A 17 -0.547 7.971 6.662 1.00 0.00 C ATOM 221 CG PHE A 17 0.187 7.921 5.320 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.539 7.771 5.290 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.512 8.026 4.158 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.220 7.724 4.045 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.170 7.979 2.913 1.00 0.00 C ATOM 226 CZ PHE A 17 1.521 7.829 2.883 1.00 0.00 C ATOM 0 H PHE A 17 -2.582 6.607 6.649 1.00 0.00 H new ATOM 0 HA PHE A 17 0.241 5.994 7.156 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.560 8.338 6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.048 8.691 7.311 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.094 7.688 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.585 8.145 4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.293 7.605 4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.385 8.062 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.039 7.793 1.936 1.00 0.00 H new ATOM 236 N VAL A 18 -0.267 5.834 9.632 1.00 0.00 N ATOM 237 CA VAL A 18 -0.241 5.922 11.082 1.00 0.00 C ATOM 238 C VAL A 18 0.905 6.839 11.513 1.00 0.00 C ATOM 239 O VAL A 18 0.806 7.526 12.529 1.00 0.00 O ATOM 240 CB VAL A 18 -0.146 4.520 11.689 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.490 3.793 11.602 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.963 3.707 11.020 1.00 0.00 C ATOM 0 H VAL A 18 0.024 4.932 9.254 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.166 6.362 11.455 1.00 0.00 H new ATOM 0 HB VAL A 18 0.108 4.627 12.743 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.395 2.799 12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.246 4.359 12.146 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.788 3.702 10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.009 2.715 11.470 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.753 3.613 9.955 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.919 4.213 11.158 1.00 0.00 H new ATOM 252 N LYS A 19 1.966 6.820 10.720 1.00 0.00 N ATOM 253 CA LYS A 19 3.129 7.642 11.006 1.00 0.00 C ATOM 254 C LYS A 19 3.608 8.309 9.715 1.00 0.00 C ATOM 255 O LYS A 19 3.002 8.133 8.660 1.00 0.00 O ATOM 256 CB LYS A 19 4.209 6.815 11.708 1.00 0.00 C ATOM 257 CG LYS A 19 3.703 6.277 13.048 1.00 0.00 C ATOM 258 CD LYS A 19 4.664 6.640 14.182 1.00 0.00 C ATOM 259 CE LYS A 19 4.093 6.222 15.539 1.00 0.00 C ATOM 260 NZ LYS A 19 5.004 5.269 16.213 1.00 0.00 N ATOM 0 H LYS A 19 2.045 6.248 9.879 1.00 0.00 H new ATOM 0 HA LYS A 19 2.869 8.441 11.700 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.509 5.985 11.069 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.095 7.429 11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.715 6.686 13.259 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.594 5.194 12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.624 6.150 14.021 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.849 7.714 14.177 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.949 7.102 16.166 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.114 5.764 15.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.602 4.995 17.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.121 4.422 15.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.930 5.719 16.360 1.00 0.00 H new ATOM 274 N GLY A 20 4.691 9.062 9.842 1.00 0.00 N ATOM 275 CA GLY A 20 5.258 9.756 8.699 1.00 0.00 C ATOM 276 C GLY A 20 4.773 11.206 8.643 1.00 0.00 C ATOM 277 O GLY A 20 4.130 11.686 9.575 1.00 0.00 O ATOM 0 H GLY A 20 5.191 9.206 10.719 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.346 9.735 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.979 9.240 7.780 1.00 0.00 H new ATOM 281 N PRO A 21 5.110 11.881 7.511 1.00 0.00 N ATOM 282 CA PRO A 21 4.716 13.267 7.321 1.00 0.00 C ATOM 283 C PRO A 21 3.228 13.373 6.983 1.00 0.00 C ATOM 284 O PRO A 21 2.615 14.420 7.185 1.00 0.00 O ATOM 285 CB PRO A 21 5.616 13.783 6.210 1.00 0.00 C ATOM 286 CG PRO A 21 6.155 12.550 5.504 1.00 0.00 C ATOM 287 CD PRO A 21 5.871 11.345 6.387 1.00 0.00 C ATOM 0 HA PRO A 21 4.837 13.866 8.224 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.060 14.417 5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.428 14.388 6.614 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.680 12.430 4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.226 12.649 5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.303 10.586 5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.795 10.874 6.723 1.00 0.00 H new ATOM 295 N ARG A 22 2.690 12.274 6.475 1.00 0.00 N ATOM 296 CA ARG A 22 1.285 12.230 6.106 1.00 0.00 C ATOM 297 C ARG A 22 0.472 11.532 7.198 1.00 0.00 C ATOM 298 O ARG A 22 -0.697 11.208 6.995 1.00 0.00 O ATOM 299 CB ARG A 22 1.086 11.493 4.781 1.00 0.00 C ATOM 300 CG ARG A 22 0.879 12.479 3.630 1.00 0.00 C ATOM 301 CD ARG A 22 1.889 12.232 2.507 1.00 0.00 C ATOM 302 NE ARG A 22 1.217 12.328 1.192 1.00 0.00 N ATOM 303 CZ ARG A 22 1.859 12.536 0.034 1.00 0.00 C ATOM 304 NH1 ARG A 22 3.192 12.672 0.022 1.00 0.00 N ATOM 305 NH2 ARG A 22 1.167 12.609 -1.111 1.00 0.00 N ATOM 0 H ARG A 22 3.202 11.407 6.310 1.00 0.00 H new ATOM 0 HA ARG A 22 0.940 13.257 5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.954 10.866 4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.224 10.830 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.134 12.381 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.982 13.500 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.697 12.962 2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.340 11.247 2.623 1.00 0.00 H new ATOM 0 HE ARG A 22 0.202 12.230 1.165 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.718 12.617 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.681 12.830 -0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.152 12.506 -1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.655 12.767 -1.993 1.00 0.00 H new ATOM 319 N GLU A 23 1.123 11.320 8.332 1.00 0.00 N ATOM 320 CA GLU A 23 0.475 10.666 9.456 1.00 0.00 C ATOM 321 C GLU A 23 -0.940 11.216 9.647 1.00 0.00 C ATOM 322 O GLU A 23 -1.116 12.390 9.966 1.00 0.00 O ATOM 323 CB GLU A 23 1.301 10.825 10.734 1.00 0.00 C ATOM 324 CG GLU A 23 0.504 10.379 11.962 1.00 0.00 C ATOM 325 CD GLU A 23 1.414 10.230 13.182 1.00 0.00 C ATOM 326 OE1 GLU A 23 2.646 10.220 12.973 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.857 10.129 14.297 1.00 0.00 O ATOM 0 H GLU A 23 2.093 11.590 8.497 1.00 0.00 H new ATOM 0 HA GLU A 23 0.404 9.600 9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.215 10.236 10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.601 11.866 10.850 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.280 11.106 12.175 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.010 9.430 11.754 1.00 0.00 H new ATOM 334 N GLY A 24 -1.913 10.340 9.442 1.00 0.00 N ATOM 335 CA GLY A 24 -3.308 10.723 9.586 1.00 0.00 C ATOM 336 C GLY A 24 -4.049 10.608 8.253 1.00 0.00 C ATOM 337 O GLY A 24 -5.235 10.924 8.169 1.00 0.00 O ATOM 0 H GLY A 24 -1.763 9.366 9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.789 10.087 10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.371 11.747 9.954 1.00 0.00 H new ATOM 341 N ASP A 25 -3.320 10.155 7.244 1.00 0.00 N ATOM 342 CA ASP A 25 -3.894 9.995 5.919 1.00 0.00 C ATOM 343 C ASP A 25 -4.171 8.512 5.664 1.00 0.00 C ATOM 344 O ASP A 25 -3.642 7.649 6.363 1.00 0.00 O ATOM 345 CB ASP A 25 -2.930 10.488 4.838 1.00 0.00 C ATOM 346 CG ASP A 25 -2.837 12.009 4.699 1.00 0.00 C ATOM 347 OD1 ASP A 25 -2.772 12.672 5.756 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.834 12.473 3.538 1.00 0.00 O ATOM 0 H ASP A 25 -2.337 9.894 7.317 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.813 10.580 5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.936 10.096 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.237 10.069 3.880 1.00 0.00 H new ATOM 353 N ALA A 26 -5.000 8.261 4.661 1.00 0.00 N ATOM 354 CA ALA A 26 -5.354 6.898 4.306 1.00 0.00 C ATOM 355 C ALA A 26 -5.808 6.858 2.845 1.00 0.00 C ATOM 356 O ALA A 26 -6.493 7.767 2.379 1.00 0.00 O ATOM 357 CB ALA A 26 -6.429 6.382 5.265 1.00 0.00 C ATOM 0 H ALA A 26 -5.437 8.979 4.083 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.490 6.240 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.694 5.359 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.047 6.403 6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.313 7.016 5.196 1.00 0.00 H new ATOM 363 N LEU A 27 -5.407 5.795 2.163 1.00 0.00 N ATOM 364 CA LEU A 27 -5.765 5.624 0.765 1.00 0.00 C ATOM 365 C LEU A 27 -6.460 4.274 0.582 1.00 0.00 C ATOM 366 O LEU A 27 -6.490 3.457 1.501 1.00 0.00 O ATOM 367 CB LEU A 27 -4.536 5.809 -0.128 1.00 0.00 C ATOM 368 CG LEU A 27 -3.740 7.098 0.086 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.235 6.825 0.048 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.153 8.172 -0.923 1.00 0.00 C ATOM 0 H LEU A 27 -4.838 5.044 2.553 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.474 6.392 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.867 4.962 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.859 5.773 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.973 7.483 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.692 7.757 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.973 6.118 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.966 6.405 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.572 9.078 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.968 7.811 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.214 8.393 -0.805 1.00 0.00 H new ATOM 382 N ASP A 28 -7.003 4.081 -0.611 1.00 0.00 N ATOM 383 CA ASP A 28 -7.696 2.844 -0.927 1.00 0.00 C ATOM 384 C ASP A 28 -7.532 2.538 -2.417 1.00 0.00 C ATOM 385 O ASP A 28 -7.429 3.451 -3.234 1.00 0.00 O ATOM 386 CB ASP A 28 -9.193 2.960 -0.630 1.00 0.00 C ATOM 387 CG ASP A 28 -10.005 3.711 -1.686 1.00 0.00 C ATOM 388 OD1 ASP A 28 -10.188 3.133 -2.779 1.00 0.00 O ATOM 389 OD2 ASP A 28 -10.425 4.847 -1.377 1.00 0.00 O ATOM 0 H ASP A 28 -6.977 4.761 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.267 2.051 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.605 1.957 -0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.320 3.462 0.329 1.00 0.00 H new ATOM 394 N TYR A 29 -7.513 1.249 -2.725 1.00 0.00 N ATOM 395 CA TYR A 29 -7.363 0.812 -4.103 1.00 0.00 C ATOM 396 C TYR A 29 -8.142 -0.481 -4.355 1.00 0.00 C ATOM 397 O TYR A 29 -8.773 -1.017 -3.446 1.00 0.00 O ATOM 398 CB TYR A 29 -5.870 0.540 -4.299 1.00 0.00 C ATOM 399 CG TYR A 29 -4.979 1.762 -4.063 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.650 2.137 -2.776 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.505 2.488 -5.136 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.812 3.287 -2.554 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.667 3.638 -4.914 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.362 3.980 -3.634 1.00 0.00 C ATOM 405 OH TYR A 29 -2.570 5.066 -3.424 1.00 0.00 O ATOM 0 H TYR A 29 -7.599 0.494 -2.045 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.744 1.568 -4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.564 -0.257 -3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.708 0.175 -5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.021 1.568 -1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.762 2.194 -6.143 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.547 3.592 -1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.290 4.215 -5.745 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.323 5.462 -4.286 1.00 0.00 H new ATOM 415 N LYS A 30 -8.071 -0.944 -5.594 1.00 0.00 N ATOM 416 CA LYS A 30 -8.761 -2.164 -5.978 1.00 0.00 C ATOM 417 C LYS A 30 -7.762 -3.322 -6.009 1.00 0.00 C ATOM 418 O LYS A 30 -6.552 -3.103 -5.998 1.00 0.00 O ATOM 419 CB LYS A 30 -9.511 -1.963 -7.296 1.00 0.00 C ATOM 420 CG LYS A 30 -10.961 -1.545 -7.044 1.00 0.00 C ATOM 421 CD LYS A 30 -11.376 -0.410 -7.983 1.00 0.00 C ATOM 422 CE LYS A 30 -11.030 0.953 -7.382 1.00 0.00 C ATOM 423 NZ LYS A 30 -12.260 1.667 -6.973 1.00 0.00 N ATOM 0 H LYS A 30 -7.546 -0.496 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.522 -2.419 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.008 -1.202 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.490 -2.886 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.620 -2.401 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.076 -1.225 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.874 -0.526 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.448 -0.465 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.375 0.821 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.482 1.550 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.007 2.590 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.871 1.809 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.768 1.104 -6.261 1.00 0.00 H new ATOM 437 N PRO A 31 -8.320 -4.562 -6.047 1.00 0.00 N ATOM 438 CA PRO A 31 -7.492 -5.755 -6.080 1.00 0.00 C ATOM 439 C PRO A 31 -6.871 -5.954 -7.464 1.00 0.00 C ATOM 440 O PRO A 31 -7.568 -5.893 -8.476 1.00 0.00 O ATOM 441 CB PRO A 31 -8.420 -6.889 -5.677 1.00 0.00 C ATOM 442 CG PRO A 31 -9.832 -6.367 -5.884 1.00 0.00 C ATOM 443 CD PRO A 31 -9.750 -4.859 -6.061 1.00 0.00 C ATOM 0 HA PRO A 31 -6.641 -5.695 -5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.239 -7.776 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.258 -7.175 -4.638 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.286 -6.830 -6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.461 -6.618 -5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.211 -4.544 -6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.271 -4.337 -5.258 1.00 0.00 H new ATOM 451 N GLY A 32 -5.567 -6.187 -7.464 1.00 0.00 N ATOM 452 CA GLY A 32 -4.844 -6.395 -8.708 1.00 0.00 C ATOM 453 C GLY A 32 -4.223 -5.089 -9.206 1.00 0.00 C ATOM 454 O GLY A 32 -3.774 -5.007 -10.348 1.00 0.00 O ATOM 0 H GLY A 32 -4.992 -6.236 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.062 -7.140 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.521 -6.791 -9.464 1.00 0.00 H new ATOM 458 N SER A 33 -4.218 -4.099 -8.325 1.00 0.00 N ATOM 459 CA SER A 33 -3.660 -2.801 -8.661 1.00 0.00 C ATOM 460 C SER A 33 -2.330 -2.598 -7.933 1.00 0.00 C ATOM 461 O SER A 33 -2.293 -2.544 -6.704 1.00 0.00 O ATOM 462 CB SER A 33 -4.635 -1.675 -8.311 1.00 0.00 C ATOM 463 OG SER A 33 -5.543 -1.404 -9.375 1.00 0.00 O ATOM 0 H SER A 33 -4.592 -4.170 -7.379 1.00 0.00 H new ATOM 0 HA SER A 33 -3.485 -2.772 -9.737 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.196 -1.946 -7.416 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.074 -0.771 -8.074 1.00 0.00 H new ATOM 0 HG SER A 33 -6.149 -0.681 -9.111 1.00 0.00 H new ATOM 469 N THR A 34 -1.270 -2.490 -8.720 1.00 0.00 N ATOM 470 CA THR A 34 0.058 -2.294 -8.165 1.00 0.00 C ATOM 471 C THR A 34 0.199 -0.877 -7.608 1.00 0.00 C ATOM 472 O THR A 34 -0.034 0.100 -8.318 1.00 0.00 O ATOM 473 CB THR A 34 1.079 -2.623 -9.256 1.00 0.00 C ATOM 474 OG1 THR A 34 0.850 -3.999 -9.544 1.00 0.00 O ATOM 475 CG2 THR A 34 2.519 -2.585 -8.740 1.00 0.00 C ATOM 0 H THR A 34 -1.304 -2.535 -9.738 1.00 0.00 H new ATOM 0 HA THR A 34 0.237 -2.960 -7.321 1.00 0.00 H new ATOM 0 HB THR A 34 0.969 -1.918 -10.080 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.469 -4.294 -10.244 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.203 -2.826 -9.553 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.743 -1.588 -8.360 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.638 -3.314 -7.938 1.00 0.00 H new ATOM 483 N ILE A 35 0.580 -0.809 -6.340 1.00 0.00 N ATOM 484 CA ILE A 35 0.755 0.473 -5.679 1.00 0.00 C ATOM 485 C ILE A 35 2.246 0.720 -5.441 1.00 0.00 C ATOM 486 O ILE A 35 2.804 0.263 -4.444 1.00 0.00 O ATOM 487 CB ILE A 35 -0.090 0.539 -4.405 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.578 0.385 -4.726 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.198 1.821 -3.622 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.157 -0.862 -4.057 1.00 0.00 C ATOM 0 H ILE A 35 0.772 -1.621 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 35 0.395 1.282 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 35 0.190 -0.298 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.120 1.268 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.716 0.320 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.416 1.843 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.252 1.849 -3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.037 2.686 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.216 -0.948 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.629 -1.746 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.039 -0.783 -2.976 1.00 0.00 H new ATOM 502 N ARG A 36 2.850 1.442 -6.373 1.00 0.00 N ATOM 503 CA ARG A 36 4.266 1.755 -6.277 1.00 0.00 C ATOM 504 C ARG A 36 4.489 2.909 -5.298 1.00 0.00 C ATOM 505 O ARG A 36 4.230 4.066 -5.626 1.00 0.00 O ATOM 506 CB ARG A 36 4.839 2.138 -7.644 1.00 0.00 C ATOM 507 CG ARG A 36 4.623 1.016 -8.662 1.00 0.00 C ATOM 508 CD ARG A 36 4.285 1.586 -10.041 1.00 0.00 C ATOM 509 NE ARG A 36 5.341 1.223 -11.012 1.00 0.00 N ATOM 510 CZ ARG A 36 5.370 1.645 -12.283 1.00 0.00 C ATOM 511 NH1 ARG A 36 4.401 2.447 -12.746 1.00 0.00 N ATOM 512 NH2 ARG A 36 6.368 1.264 -13.093 1.00 0.00 N ATOM 0 H ARG A 36 2.385 1.819 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 36 4.779 0.863 -5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.363 3.052 -7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.904 2.349 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.521 0.402 -8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.816 0.365 -8.326 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.323 1.200 -10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.191 2.670 -9.982 1.00 0.00 H new ATOM 0 HE ARG A 36 6.094 0.613 -10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.641 2.736 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.424 2.768 -13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.105 0.653 -12.741 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.390 1.585 -14.061 1.00 0.00 H new ATOM 526 N VAL A 37 4.968 2.554 -4.114 1.00 0.00 N ATOM 527 CA VAL A 37 5.229 3.545 -3.084 1.00 0.00 C ATOM 528 C VAL A 37 6.694 3.978 -3.160 1.00 0.00 C ATOM 529 O VAL A 37 7.597 3.147 -3.070 1.00 0.00 O ATOM 530 CB VAL A 37 4.840 2.990 -1.713 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.951 4.068 -0.633 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.433 2.388 -1.744 1.00 0.00 C ATOM 0 H VAL A 37 5.182 1.594 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 37 4.618 4.433 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 37 5.540 2.193 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.669 3.647 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.978 4.430 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.285 4.896 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.181 2.001 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.714 3.157 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.400 1.577 -2.471 1.00 0.00 H new ATOM 542 N GLY A 38 6.886 5.279 -3.324 1.00 0.00 N ATOM 543 CA GLY A 38 8.226 5.833 -3.413 1.00 0.00 C ATOM 544 C GLY A 38 8.298 7.205 -2.739 1.00 0.00 C ATOM 545 O GLY A 38 7.499 7.509 -1.855 1.00 0.00 O ATOM 0 H GLY A 38 6.135 5.966 -3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.936 5.154 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.518 5.922 -4.459 1.00 0.00 H new ATOM 549 N ARG A 39 9.263 7.997 -3.184 1.00 0.00 N ATOM 550 CA ARG A 39 9.449 9.329 -2.635 1.00 0.00 C ATOM 551 C ARG A 39 8.877 10.381 -3.588 1.00 0.00 C ATOM 552 O ARG A 39 8.318 11.384 -3.148 1.00 0.00 O ATOM 553 CB ARG A 39 10.932 9.623 -2.394 1.00 0.00 C ATOM 554 CG ARG A 39 11.147 11.094 -2.034 1.00 0.00 C ATOM 555 CD ARG A 39 12.545 11.317 -1.453 1.00 0.00 C ATOM 556 NE ARG A 39 13.240 12.388 -2.202 1.00 0.00 N ATOM 557 CZ ARG A 39 13.928 12.187 -3.334 1.00 0.00 C ATOM 558 NH1 ARG A 39 14.017 10.956 -3.855 1.00 0.00 N ATOM 559 NH2 ARG A 39 14.527 13.218 -3.946 1.00 0.00 N ATOM 0 H ARG A 39 9.924 7.742 -3.918 1.00 0.00 H new ATOM 0 HA ARG A 39 8.921 9.371 -1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.306 8.990 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.505 9.376 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.015 11.712 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.394 11.409 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.471 11.588 -0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.121 10.393 -1.505 1.00 0.00 H new ATOM 0 HE ARG A 39 13.192 13.338 -1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.561 10.171 -3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.541 10.804 -4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.459 14.156 -3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.051 13.065 -4.808 1.00 0.00 H new ATOM 573 N ILE A 40 9.036 10.115 -4.876 1.00 0.00 N ATOM 574 CA ILE A 40 8.541 11.025 -5.895 1.00 0.00 C ATOM 575 C ILE A 40 7.211 10.501 -6.439 1.00 0.00 C ATOM 576 O ILE A 40 7.016 9.292 -6.554 1.00 0.00 O ATOM 577 CB ILE A 40 9.602 11.249 -6.974 1.00 0.00 C ATOM 578 CG1 ILE A 40 10.013 9.924 -7.622 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.805 12.009 -6.412 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.751 10.165 -8.941 1.00 0.00 C ATOM 0 H ILE A 40 9.501 9.282 -5.237 1.00 0.00 H new ATOM 0 HA ILE A 40 8.344 12.007 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 40 9.167 11.870 -7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.653 9.364 -6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.128 9.313 -7.802 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.544 12.155 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.479 12.979 -6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.250 11.436 -5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.032 9.208 -9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.100 10.703 -9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.648 10.755 -8.754 1.00 0.00 H new ATOM 653 N GLU A 45 2.314 5.155 -7.392 1.00 0.00 N ATOM 654 CA GLU A 45 0.948 5.176 -6.896 1.00 0.00 C ATOM 655 C GLU A 45 0.856 6.032 -5.632 1.00 0.00 C ATOM 656 O GLU A 45 -0.151 6.700 -5.403 1.00 0.00 O ATOM 657 CB GLU A 45 0.437 3.757 -6.636 1.00 0.00 C ATOM 658 CG GLU A 45 -1.084 3.687 -6.785 1.00 0.00 C ATOM 659 CD GLU A 45 -1.475 3.086 -8.137 1.00 0.00 C ATOM 660 OE1 GLU A 45 -0.930 3.571 -9.153 1.00 0.00 O ATOM 661 OE2 GLU A 45 -2.309 2.156 -8.125 1.00 0.00 O ATOM 0 HA GLU A 45 0.311 5.622 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.907 3.064 -7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.723 3.442 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.505 3.085 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.509 4.686 -6.691 1.00 0.00 H new ATOM 668 N ILE A 46 1.920 5.985 -4.844 1.00 0.00 N ATOM 669 CA ILE A 46 1.972 6.748 -3.609 1.00 0.00 C ATOM 670 C ILE A 46 3.382 7.311 -3.421 1.00 0.00 C ATOM 671 O ILE A 46 4.368 6.630 -3.698 1.00 0.00 O ATOM 672 CB ILE A 46 1.487 5.898 -2.433 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.020 5.502 -2.611 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.731 6.612 -1.103 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.368 4.383 -1.642 1.00 0.00 C ATOM 0 H ILE A 46 2.754 5.430 -5.037 1.00 0.00 H new ATOM 0 HA ILE A 46 1.293 7.599 -3.658 1.00 0.00 H new ATOM 0 HB ILE A 46 2.069 4.977 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.618 6.370 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.150 5.175 -3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.377 5.986 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.798 6.800 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.192 7.560 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.416 4.121 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.255 3.508 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.220 4.722 -0.617 1.00 0.00 H new ATOM 687 N ALA A 47 3.433 8.549 -2.952 1.00 0.00 N ATOM 688 CA ALA A 47 4.706 9.211 -2.723 1.00 0.00 C ATOM 689 C ALA A 47 4.689 9.878 -1.346 1.00 0.00 C ATOM 690 O ALA A 47 3.662 10.401 -0.918 1.00 0.00 O ATOM 691 CB ALA A 47 4.971 10.210 -3.851 1.00 0.00 C ATOM 0 H ALA A 47 2.613 9.111 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 47 5.521 8.488 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.926 10.707 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.002 9.682 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.174 10.953 -3.874 1.00 0.00 H new ATOM 697 N ILE A 48 5.840 9.836 -0.690 1.00 0.00 N ATOM 698 CA ILE A 48 5.970 10.430 0.630 1.00 0.00 C ATOM 699 C ILE A 48 7.234 11.292 0.674 1.00 0.00 C ATOM 700 O ILE A 48 8.303 10.855 0.251 1.00 0.00 O ATOM 701 CB ILE A 48 5.926 9.348 1.710 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.561 8.658 1.741 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.309 9.921 3.076 1.00 0.00 C ATOM 704 CD1 ILE A 48 4.700 7.182 2.118 1.00 0.00 C ATOM 0 H ILE A 48 6.690 9.400 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 48 5.127 11.089 0.837 1.00 0.00 H new ATOM 0 HB ILE A 48 6.665 8.587 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.912 9.160 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.084 8.744 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.270 9.131 3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.319 10.327 3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.611 10.713 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.715 6.716 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.330 6.677 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.155 7.100 3.105 1.00 0.00 H new ATOM 716 N LYS A 49 7.068 12.501 1.189 1.00 0.00 N ATOM 717 CA LYS A 49 8.182 13.428 1.294 1.00 0.00 C ATOM 718 C LYS A 49 8.722 13.411 2.726 1.00 0.00 C ATOM 719 O LYS A 49 8.632 14.409 3.439 1.00 0.00 O ATOM 720 CB LYS A 49 7.769 14.819 0.810 1.00 0.00 C ATOM 721 CG LYS A 49 7.583 14.838 -0.709 1.00 0.00 C ATOM 722 CD LYS A 49 8.861 15.301 -1.412 1.00 0.00 C ATOM 723 CE LYS A 49 9.054 14.563 -2.739 1.00 0.00 C ATOM 724 NZ LYS A 49 9.611 15.476 -3.762 1.00 0.00 N ATOM 0 H LYS A 49 6.179 12.860 1.538 1.00 0.00 H new ATOM 0 HA LYS A 49 8.998 13.117 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.841 15.117 1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.527 15.548 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.312 13.842 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.759 15.502 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.813 16.375 -1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.721 15.125 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.724 13.715 -2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.100 14.162 -3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.736 14.960 -4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.958 16.272 -3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.531 15.838 -3.440 1.00 0.00 H new ATOM 738 N ASP A 50 9.270 12.266 3.103 1.00 0.00 N ATOM 739 CA ASP A 50 9.824 12.105 4.437 1.00 0.00 C ATOM 740 C ASP A 50 11.351 12.054 4.348 1.00 0.00 C ATOM 741 O ASP A 50 12.038 12.104 5.367 1.00 0.00 O ATOM 742 CB ASP A 50 9.344 10.802 5.080 1.00 0.00 C ATOM 743 CG ASP A 50 10.223 10.282 6.219 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.264 10.968 7.263 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.833 9.209 6.021 1.00 0.00 O ATOM 0 H ASP A 50 9.343 11.440 2.508 1.00 0.00 H new ATOM 0 HA ASP A 50 9.494 12.949 5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.334 10.953 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.283 10.034 4.308 1.00 0.00 H new ATOM 750 N ALA A 51 11.837 11.956 3.119 1.00 0.00 N ATOM 751 CA ALA A 51 13.269 11.898 2.884 1.00 0.00 C ATOM 752 C ALA A 51 13.752 10.457 3.058 1.00 0.00 C ATOM 753 O ALA A 51 14.386 9.898 2.163 1.00 0.00 O ATOM 754 CB ALA A 51 13.982 12.869 3.827 1.00 0.00 C ATOM 0 H ALA A 51 11.264 11.915 2.276 1.00 0.00 H new ATOM 0 HA ALA A 51 13.502 12.204 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.057 12.825 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.625 13.882 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 51 13.773 12.592 4.860 1.00 0.00 H new ATOM 760 N GLY A 52 13.435 9.895 4.215 1.00 0.00 N ATOM 761 CA GLY A 52 13.829 8.530 4.517 1.00 0.00 C ATOM 762 C GLY A 52 13.510 7.596 3.348 1.00 0.00 C ATOM 763 O GLY A 52 14.202 6.601 3.137 1.00 0.00 O ATOM 0 H GLY A 52 12.909 10.361 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 52 14.897 8.495 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.311 8.188 5.413 1.00 0.00 H new ATOM 767 N ILE A 53 12.461 7.948 2.619 1.00 0.00 N ATOM 768 CA ILE A 53 12.042 7.154 1.477 1.00 0.00 C ATOM 769 C ILE A 53 12.828 7.594 0.240 1.00 0.00 C ATOM 770 O ILE A 53 13.508 8.619 0.264 1.00 0.00 O ATOM 771 CB ILE A 53 10.525 7.228 1.300 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.802 6.848 2.595 1.00 0.00 C ATOM 773 CG2 ILE A 53 10.068 6.373 0.117 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.580 7.740 2.823 1.00 0.00 C ATOM 0 H ILE A 53 11.889 8.773 2.797 1.00 0.00 H new ATOM 0 HA ILE A 53 12.269 6.101 1.642 1.00 0.00 H new ATOM 0 HB ILE A 53 10.258 8.260 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.491 5.804 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.486 6.940 3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.985 6.444 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.544 6.731 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.349 5.334 0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.085 7.449 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.897 8.781 2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.886 7.627 1.990 1.00 0.00 H new ATOM 786 N SER A 54 12.708 6.797 -0.812 1.00 0.00 N ATOM 787 CA SER A 54 13.398 7.091 -2.056 1.00 0.00 C ATOM 788 C SER A 54 12.450 6.892 -3.240 1.00 0.00 C ATOM 789 O SER A 54 11.283 6.552 -3.055 1.00 0.00 O ATOM 790 CB SER A 54 14.641 6.214 -2.218 1.00 0.00 C ATOM 791 OG SER A 54 15.799 6.981 -2.533 1.00 0.00 O ATOM 0 H SER A 54 12.143 5.948 -0.828 1.00 0.00 H new ATOM 0 HA SER A 54 13.722 8.131 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.814 5.658 -1.297 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.467 5.481 -3.005 1.00 0.00 H new ATOM 0 HG SER A 54 16.571 6.385 -2.626 1.00 0.00 H new ATOM 797 N THR A 55 12.988 7.113 -4.431 1.00 0.00 N ATOM 798 CA THR A 55 12.204 6.962 -5.645 1.00 0.00 C ATOM 799 C THR A 55 12.050 5.481 -6.000 1.00 0.00 C ATOM 800 O THR A 55 13.029 4.813 -6.328 1.00 0.00 O ATOM 801 CB THR A 55 12.876 7.784 -6.747 1.00 0.00 C ATOM 802 OG1 THR A 55 14.218 7.304 -6.769 1.00 0.00 O ATOM 803 CG2 THR A 55 13.014 9.261 -6.374 1.00 0.00 C ATOM 0 H THR A 55 13.957 7.395 -4.581 1.00 0.00 H new ATOM 0 HA THR A 55 11.190 7.339 -5.510 1.00 0.00 H new ATOM 0 HB THR A 55 12.300 7.695 -7.668 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.215 6.324 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.497 9.799 -7.190 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.026 9.685 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.618 9.353 -5.471 1.00 0.00 H new ATOM 811 N LYS A 56 10.813 5.013 -5.923 1.00 0.00 N ATOM 812 CA LYS A 56 10.518 3.624 -6.231 1.00 0.00 C ATOM 813 C LYS A 56 11.082 2.730 -5.125 1.00 0.00 C ATOM 814 O LYS A 56 11.444 1.581 -5.376 1.00 0.00 O ATOM 815 CB LYS A 56 11.025 3.267 -7.630 1.00 0.00 C ATOM 816 CG LYS A 56 10.222 3.997 -8.708 1.00 0.00 C ATOM 817 CD LYS A 56 10.906 5.306 -9.109 1.00 0.00 C ATOM 818 CE LYS A 56 10.043 6.095 -10.097 1.00 0.00 C ATOM 819 NZ LYS A 56 10.618 6.023 -11.458 1.00 0.00 N ATOM 0 H LYS A 56 10.003 5.571 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 56 9.441 3.459 -6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.079 3.530 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.951 2.190 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.114 3.356 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.217 4.205 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.093 5.910 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.876 5.091 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.029 5.696 -10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.974 7.135 -9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.021 6.563 -12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.577 6.425 -11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.661 5.030 -11.765 1.00 0.00 H new ATOM 833 N HIS A 57 11.138 3.290 -3.926 1.00 0.00 N ATOM 834 CA HIS A 57 11.652 2.557 -2.781 1.00 0.00 C ATOM 835 C HIS A 57 11.176 1.105 -2.846 1.00 0.00 C ATOM 836 O HIS A 57 11.977 0.179 -2.730 1.00 0.00 O ATOM 837 CB HIS A 57 11.264 3.251 -1.474 1.00 0.00 C ATOM 838 CG HIS A 57 11.815 2.582 -0.237 1.00 0.00 C ATOM 839 ND1 HIS A 57 12.586 3.251 0.697 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.697 1.298 0.209 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.912 2.399 1.658 1.00 0.00 C ATOM 842 NE2 HIS A 57 12.361 1.189 1.353 1.00 0.00 N ATOM 0 H HIS A 57 10.836 4.243 -3.722 1.00 0.00 H new ATOM 0 HA HIS A 57 12.742 2.547 -2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.615 4.282 -1.504 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.177 3.286 -1.402 1.00 0.00 H new ATOM 0 HD1 HIS A 57 12.857 4.233 0.653 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.155 0.505 -0.285 1.00 0.00 H new ATOM 0 HE1 HIS A 57 13.509 2.623 2.530 1.00 0.00 H new ATOM 850 N LEU A 58 9.873 0.950 -3.031 1.00 0.00 N ATOM 851 CA LEU A 58 9.280 -0.374 -3.112 1.00 0.00 C ATOM 852 C LEU A 58 7.947 -0.286 -3.857 1.00 0.00 C ATOM 853 O LEU A 58 7.424 0.806 -4.074 1.00 0.00 O ATOM 854 CB LEU A 58 9.167 -0.997 -1.720 1.00 0.00 C ATOM 855 CG LEU A 58 8.489 -0.135 -0.652 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.205 0.497 -1.193 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.239 -0.940 0.625 1.00 0.00 C ATOM 0 H LEU A 58 9.211 1.720 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 58 9.922 -1.044 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.616 -1.933 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.170 -1.248 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 58 9.164 0.680 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.743 1.104 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.443 1.126 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.514 -0.288 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.757 -0.304 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.593 -1.789 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.189 -1.301 1.019 1.00 0.00 H new ATOM 869 N ARG A 59 7.435 -1.450 -4.227 1.00 0.00 N ATOM 870 CA ARG A 59 6.172 -1.519 -4.943 1.00 0.00 C ATOM 871 C ARG A 59 5.244 -2.542 -4.285 1.00 0.00 C ATOM 872 O ARG A 59 5.695 -3.590 -3.826 1.00 0.00 O ATOM 873 CB ARG A 59 6.389 -1.905 -6.408 1.00 0.00 C ATOM 874 CG ARG A 59 6.676 -3.402 -6.543 1.00 0.00 C ATOM 875 CD ARG A 59 7.433 -3.700 -7.839 1.00 0.00 C ATOM 876 NE ARG A 59 8.227 -4.939 -7.688 1.00 0.00 N ATOM 877 CZ ARG A 59 9.149 -5.352 -8.568 1.00 0.00 C ATOM 878 NH1 ARG A 59 9.398 -4.628 -9.668 1.00 0.00 N ATOM 879 NH2 ARG A 59 9.822 -6.490 -8.349 1.00 0.00 N ATOM 0 H ARG A 59 7.872 -2.354 -4.045 1.00 0.00 H new ATOM 0 HA ARG A 59 5.715 -0.530 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.505 -1.646 -6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.221 -1.333 -6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.262 -3.742 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.739 -3.958 -6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.729 -3.808 -8.664 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.089 -2.866 -8.087 1.00 0.00 H new ATOM 0 HE ARG A 59 8.062 -5.515 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.885 -3.762 -9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.100 -4.943 -10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.632 -7.042 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.524 -6.804 -9.019 1.00 0.00 H new ATOM 893 N ILE A 60 3.963 -2.202 -4.260 1.00 0.00 N ATOM 894 CA ILE A 60 2.968 -3.077 -3.666 1.00 0.00 C ATOM 895 C ILE A 60 2.120 -3.705 -4.774 1.00 0.00 C ATOM 896 O ILE A 60 1.642 -3.006 -5.666 1.00 0.00 O ATOM 897 CB ILE A 60 2.148 -2.323 -2.617 1.00 0.00 C ATOM 898 CG1 ILE A 60 2.996 -2.001 -1.385 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.879 -3.096 -2.253 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.270 -1.024 -0.459 1.00 0.00 C ATOM 0 H ILE A 60 3.592 -1.332 -4.642 1.00 0.00 H new ATOM 0 HA ILE A 60 3.451 -3.895 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 60 1.833 -1.373 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.222 -2.920 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.948 -1.572 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.315 -2.538 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.266 -3.230 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.150 -4.071 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.895 -0.812 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.067 -0.097 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.330 -1.466 -0.130 1.00 0.00 H new ATOM 912 N GLU A 61 1.960 -5.017 -4.682 1.00 0.00 N ATOM 913 CA GLU A 61 1.178 -5.746 -5.666 1.00 0.00 C ATOM 914 C GLU A 61 0.332 -6.821 -4.981 1.00 0.00 C ATOM 915 O GLU A 61 0.542 -7.127 -3.808 1.00 0.00 O ATOM 916 CB GLU A 61 2.082 -6.360 -6.737 1.00 0.00 C ATOM 917 CG GLU A 61 3.117 -7.297 -6.111 1.00 0.00 C ATOM 918 CD GLU A 61 2.628 -8.746 -6.130 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.393 -8.929 -6.071 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.500 -9.638 -6.203 1.00 0.00 O ATOM 0 H GLU A 61 2.359 -5.594 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 61 0.507 -5.044 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.476 -6.911 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.590 -5.568 -7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.058 -7.220 -6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.316 -6.990 -5.084 1.00 0.00 H new ATOM 927 N SER A 62 -0.606 -7.365 -5.742 1.00 0.00 N ATOM 928 CA SER A 62 -1.485 -8.399 -5.223 1.00 0.00 C ATOM 929 C SER A 62 -1.470 -9.614 -6.152 1.00 0.00 C ATOM 930 O SER A 62 -1.485 -9.466 -7.373 1.00 0.00 O ATOM 931 CB SER A 62 -2.913 -7.875 -5.056 1.00 0.00 C ATOM 932 OG SER A 62 -3.875 -8.926 -5.099 1.00 0.00 O ATOM 0 H SER A 62 -0.777 -7.109 -6.715 1.00 0.00 H new ATOM 0 HA SER A 62 -1.119 -8.697 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.996 -7.346 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.129 -7.153 -5.844 1.00 0.00 H new ATOM 0 HG SER A 62 -3.811 -9.462 -4.281 1.00 0.00 H new ATOM 938 N ASP A 63 -1.441 -10.788 -5.539 1.00 0.00 N ATOM 939 CA ASP A 63 -1.424 -12.027 -6.296 1.00 0.00 C ATOM 940 C ASP A 63 -2.216 -13.094 -5.538 1.00 0.00 C ATOM 941 O ASP A 63 -2.450 -12.963 -4.338 1.00 0.00 O ATOM 942 CB ASP A 63 0.006 -12.542 -6.479 1.00 0.00 C ATOM 943 CG ASP A 63 0.116 -13.981 -6.986 1.00 0.00 C ATOM 944 OD1 ASP A 63 0.021 -14.156 -8.220 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.292 -14.873 -6.129 1.00 0.00 O ATOM 0 H ASP A 63 -1.429 -10.907 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.865 -11.830 -7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.526 -11.886 -7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.527 -12.468 -5.525 1.00 0.00 H new ATOM 950 N SER A 64 -2.608 -14.126 -6.271 1.00 0.00 N ATOM 951 CA SER A 64 -3.370 -15.215 -5.683 1.00 0.00 C ATOM 952 C SER A 64 -4.415 -14.659 -4.713 1.00 0.00 C ATOM 953 O SER A 64 -4.463 -15.058 -3.551 1.00 0.00 O ATOM 954 CB SER A 64 -2.451 -16.204 -4.963 1.00 0.00 C ATOM 955 OG SER A 64 -2.798 -17.557 -5.244 1.00 0.00 O ATOM 0 H SER A 64 -2.412 -14.231 -7.267 1.00 0.00 H new ATOM 0 HA SER A 64 -3.877 -15.750 -6.486 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.419 -16.025 -5.264 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.504 -16.032 -3.888 1.00 0.00 H new ATOM 0 HG SER A 64 -2.187 -18.157 -4.767 1.00 0.00 H new ATOM 961 N GLY A 65 -5.226 -13.746 -5.228 1.00 0.00 N ATOM 962 CA GLY A 65 -6.267 -13.131 -4.422 1.00 0.00 C ATOM 963 C GLY A 65 -5.721 -12.696 -3.060 1.00 0.00 C ATOM 964 O GLY A 65 -6.408 -12.813 -2.046 1.00 0.00 O ATOM 0 H GLY A 65 -5.183 -13.418 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.676 -12.267 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.087 -13.836 -4.281 1.00 0.00 H new ATOM 968 N ASN A 66 -4.492 -12.203 -3.081 1.00 0.00 N ATOM 969 CA ASN A 66 -3.846 -11.750 -1.861 1.00 0.00 C ATOM 970 C ASN A 66 -2.968 -10.537 -2.174 1.00 0.00 C ATOM 971 O ASN A 66 -2.734 -10.219 -3.339 1.00 0.00 O ATOM 972 CB ASN A 66 -2.951 -12.843 -1.273 1.00 0.00 C ATOM 973 CG ASN A 66 -3.769 -13.836 -0.446 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.365 -14.769 -0.959 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.766 -13.585 0.860 1.00 0.00 N ATOM 0 H ASN A 66 -3.926 -12.107 -3.924 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.624 -11.496 -1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.438 -13.370 -2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.182 -12.390 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.284 -14.191 1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.246 -12.787 1.225 1.00 0.00 H new ATOM 982 N TRP A 67 -2.506 -9.892 -1.113 1.00 0.00 N ATOM 983 CA TRP A 67 -1.659 -8.720 -1.259 1.00 0.00 C ATOM 984 C TRP A 67 -0.267 -9.074 -0.730 1.00 0.00 C ATOM 985 O TRP A 67 -0.140 -9.755 0.286 1.00 0.00 O ATOM 986 CB TRP A 67 -2.274 -7.507 -0.559 1.00 0.00 C ATOM 987 CG TRP A 67 -3.554 -6.991 -1.219 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.810 -7.421 -1.031 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.654 -5.925 -2.186 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.708 -6.712 -1.803 1.00 0.00 N ATOM 991 CE2 TRP A 67 -4.982 -5.773 -2.527 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.655 -5.114 -2.752 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.433 -4.819 -3.448 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.121 -4.166 -3.671 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.455 -4.001 -4.026 1.00 0.00 C ATOM 0 H TRP A 67 -2.702 -10.159 -0.148 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.571 -8.436 -2.308 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.492 -7.769 0.476 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.539 -6.702 -0.536 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.084 -8.221 -0.360 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.718 -6.851 -1.836 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.610 -5.214 -2.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.479 -4.720 -3.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.393 -3.518 -4.137 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.736 -3.245 -4.745 1.00 0.00 H new ATOM 1006 N VAL A 68 0.742 -8.596 -1.444 1.00 0.00 N ATOM 1007 CA VAL A 68 2.119 -8.853 -1.059 1.00 0.00 C ATOM 1008 C VAL A 68 2.939 -7.573 -1.230 1.00 0.00 C ATOM 1009 O VAL A 68 2.550 -6.677 -1.978 1.00 0.00 O ATOM 1010 CB VAL A 68 2.675 -10.031 -1.861 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.650 -11.163 -1.956 1.00 0.00 C ATOM 1012 CG2 VAL A 68 3.128 -9.583 -3.252 1.00 0.00 C ATOM 0 H VAL A 68 0.633 -8.032 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 68 2.175 -9.137 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 68 3.548 -10.413 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.071 -11.988 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.398 -11.511 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.750 -10.798 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.519 -10.440 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.280 -9.162 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.908 -8.828 -3.155 1.00 0.00 H new ATOM 1022 N ILE A 69 4.059 -7.527 -0.524 1.00 0.00 N ATOM 1023 CA ILE A 69 4.938 -6.371 -0.588 1.00 0.00 C ATOM 1024 C ILE A 69 6.349 -6.829 -0.961 1.00 0.00 C ATOM 1025 O ILE A 69 6.766 -7.928 -0.597 1.00 0.00 O ATOM 1026 CB ILE A 69 4.874 -5.576 0.717 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.675 -4.277 0.608 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.326 -6.431 1.903 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.973 -3.136 1.348 1.00 0.00 C ATOM 0 H ILE A 69 4.378 -8.272 0.096 1.00 0.00 H new ATOM 0 HA ILE A 69 4.609 -5.685 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 69 3.835 -5.299 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.672 -4.425 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.802 -4.011 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.271 -5.842 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.676 -7.302 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.353 -6.759 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.563 -2.224 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.986 -2.975 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.869 -3.395 2.402 1.00 0.00 H new ATOM 1041 N GLN A 70 7.047 -5.964 -1.681 1.00 0.00 N ATOM 1042 CA GLN A 70 8.403 -6.266 -2.107 1.00 0.00 C ATOM 1043 C GLN A 70 9.275 -5.010 -2.032 1.00 0.00 C ATOM 1044 O GLN A 70 8.918 -3.969 -2.581 1.00 0.00 O ATOM 1045 CB GLN A 70 8.416 -6.859 -3.517 1.00 0.00 C ATOM 1046 CG GLN A 70 9.790 -7.442 -3.854 1.00 0.00 C ATOM 1047 CD GLN A 70 9.685 -8.929 -4.198 1.00 0.00 C ATOM 1048 OE1 GLN A 70 10.252 -9.786 -3.541 1.00 0.00 O ATOM 1049 NE2 GLN A 70 8.930 -9.186 -5.262 1.00 0.00 N ATOM 0 H GLN A 70 6.699 -5.053 -1.981 1.00 0.00 H new ATOM 0 HA GLN A 70 8.817 -7.014 -1.431 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.657 -7.638 -3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.156 -6.088 -4.242 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.223 -6.900 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.464 -7.307 -3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.483 -8.421 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.797 -10.148 -5.573 1.00 0.00 H new ATOM 1058 N ASP A 71 10.401 -5.150 -1.347 1.00 0.00 N ATOM 1059 CA ASP A 71 11.326 -4.041 -1.194 1.00 0.00 C ATOM 1060 C ASP A 71 12.241 -3.971 -2.418 1.00 0.00 C ATOM 1061 O ASP A 71 13.099 -4.832 -2.606 1.00 0.00 O ATOM 1062 CB ASP A 71 12.206 -4.225 0.044 1.00 0.00 C ATOM 1063 CG ASP A 71 13.539 -3.475 0.007 1.00 0.00 C ATOM 1064 OD1 ASP A 71 14.500 -4.053 -0.546 1.00 0.00 O ATOM 1065 OD2 ASP A 71 13.567 -2.341 0.532 1.00 0.00 O ATOM 0 H ASP A 71 10.693 -6.015 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 71 10.741 -3.127 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.647 -3.898 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.408 -5.288 0.173 1.00 0.00 H new ATOM 1070 N LEU A 72 12.026 -2.938 -3.220 1.00 0.00 N ATOM 1071 CA LEU A 72 12.820 -2.745 -4.421 1.00 0.00 C ATOM 1072 C LEU A 72 14.245 -2.352 -4.027 1.00 0.00 C ATOM 1073 O LEU A 72 14.725 -1.283 -4.402 1.00 0.00 O ATOM 1074 CB LEU A 72 12.142 -1.742 -5.356 1.00 0.00 C ATOM 1075 CG LEU A 72 10.892 -2.242 -6.083 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.151 -3.286 -5.245 1.00 0.00 C ATOM 1077 CD2 LEU A 72 9.985 -1.076 -6.480 1.00 0.00 C ATOM 0 H LEU A 72 11.313 -2.226 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 72 12.890 -3.675 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.872 -0.860 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.869 -1.423 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 72 11.206 -2.733 -7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.267 -3.625 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.808 -4.135 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.849 -2.843 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.104 -1.459 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.676 -0.535 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.528 -0.402 -7.143 1.00 0.00 H new ATOM 1089 N GLY A 73 14.883 -3.238 -3.276 1.00 0.00 N ATOM 1090 CA GLY A 73 16.244 -2.997 -2.827 1.00 0.00 C ATOM 1091 C GLY A 73 16.494 -1.503 -2.611 1.00 0.00 C ATOM 1092 O GLY A 73 17.466 -0.952 -3.125 1.00 0.00 O ATOM 0 H GLY A 73 14.483 -4.124 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.425 -3.538 -1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.948 -3.384 -3.564 1.00 0.00 H new ATOM 1096 N SER A 74 15.599 -0.890 -1.851 1.00 0.00 N ATOM 1097 CA SER A 74 15.710 0.529 -1.561 1.00 0.00 C ATOM 1098 C SER A 74 17.121 0.853 -1.065 1.00 0.00 C ATOM 1099 O SER A 74 18.034 1.052 -1.866 1.00 0.00 O ATOM 1100 CB SER A 74 14.671 0.963 -0.524 1.00 0.00 C ATOM 1101 OG SER A 74 14.669 0.111 0.618 1.00 0.00 O ATOM 0 H SER A 74 14.793 -1.350 -1.427 1.00 0.00 H new ATOM 0 HA SER A 74 15.519 1.082 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.876 1.987 -0.212 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.681 0.961 -0.980 1.00 0.00 H new ATOM 0 HG SER A 74 13.787 0.138 1.045 1.00 0.00 H new ATOM 1139 N THR A 78 12.604 -2.078 4.369 1.00 0.00 N ATOM 1140 CA THR A 78 11.239 -1.935 4.847 1.00 0.00 C ATOM 1141 C THR A 78 10.996 -2.853 6.047 1.00 0.00 C ATOM 1142 O THR A 78 11.555 -3.947 6.120 1.00 0.00 O ATOM 1143 CB THR A 78 10.297 -2.207 3.673 1.00 0.00 C ATOM 1144 OG1 THR A 78 10.790 -1.370 2.631 1.00 0.00 O ATOM 1145 CG2 THR A 78 8.880 -1.690 3.928 1.00 0.00 C ATOM 0 HA THR A 78 11.049 -0.924 5.207 1.00 0.00 H new ATOM 0 HB THR A 78 10.262 -3.279 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.767 -1.313 2.691 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.252 -1.908 3.064 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.467 -2.180 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.910 -0.613 4.092 1.00 0.00 H new ATOM 1153 N LEU A 79 10.161 -2.375 6.957 1.00 0.00 N ATOM 1154 CA LEU A 79 9.836 -3.138 8.150 1.00 0.00 C ATOM 1155 C LEU A 79 8.347 -3.488 8.137 1.00 0.00 C ATOM 1156 O LEU A 79 7.522 -2.689 7.698 1.00 0.00 O ATOM 1157 CB LEU A 79 10.280 -2.385 9.406 1.00 0.00 C ATOM 1158 CG LEU A 79 11.775 -2.440 9.727 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.139 -1.429 10.816 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.204 -3.861 10.098 1.00 0.00 C ATOM 0 H LEU A 79 9.699 -1.468 6.892 1.00 0.00 H new ATOM 0 HA LEU A 79 10.385 -4.080 8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.989 -1.340 9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.731 -2.784 10.258 1.00 0.00 H new ATOM 0 HG LEU A 79 12.328 -2.161 8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.207 -1.489 11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.891 -0.423 10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.578 -1.654 11.723 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.271 -3.872 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.646 -4.192 10.974 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.001 -4.532 9.263 1.00 0.00 H new ATOM 1172 N LEU A 80 8.048 -4.684 8.624 1.00 0.00 N ATOM 1173 CA LEU A 80 6.672 -5.149 8.674 1.00 0.00 C ATOM 1174 C LEU A 80 6.345 -5.607 10.097 1.00 0.00 C ATOM 1175 O LEU A 80 6.760 -6.686 10.516 1.00 0.00 O ATOM 1176 CB LEU A 80 6.431 -6.222 7.611 1.00 0.00 C ATOM 1177 CG LEU A 80 4.967 -6.544 7.303 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.171 -5.267 7.029 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.857 -7.547 6.153 1.00 0.00 C ATOM 0 H LEU A 80 8.735 -5.345 8.987 1.00 0.00 H new ATOM 0 HA LEU A 80 5.985 -4.337 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.915 -5.905 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.925 -7.140 7.931 1.00 0.00 H new ATOM 0 HG LEU A 80 4.528 -7.014 8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.134 -5.524 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.209 -4.619 7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.602 -4.746 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.806 -7.759 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.318 -7.127 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.368 -8.470 6.425 1.00 0.00 H new ATOM 1191 N ASN A 81 5.604 -4.763 10.800 1.00 0.00 N ATOM 1192 CA ASN A 81 5.216 -5.068 12.166 1.00 0.00 C ATOM 1193 C ASN A 81 6.456 -5.046 13.061 1.00 0.00 C ATOM 1194 O ASN A 81 6.592 -4.174 13.919 1.00 0.00 O ATOM 1195 CB ASN A 81 4.588 -6.460 12.263 1.00 0.00 C ATOM 1196 CG ASN A 81 3.459 -6.625 11.244 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.432 -5.970 11.305 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.706 -7.534 10.306 1.00 0.00 N ATOM 0 H ASN A 81 5.262 -3.868 10.449 1.00 0.00 H new ATOM 0 HA ASN A 81 4.489 -4.321 12.484 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.351 -7.220 12.092 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.200 -6.619 13.269 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.014 -7.718 9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.587 -8.048 10.313 1.00 0.00 H new ATOM 1205 N SER A 82 7.330 -6.014 12.831 1.00 0.00 N ATOM 1206 CA SER A 82 8.555 -6.117 13.606 1.00 0.00 C ATOM 1207 C SER A 82 9.543 -7.051 12.903 1.00 0.00 C ATOM 1208 O SER A 82 10.131 -7.927 13.535 1.00 0.00 O ATOM 1209 CB SER A 82 8.270 -6.616 15.024 1.00 0.00 C ATOM 1210 OG SER A 82 9.453 -6.673 15.817 1.00 0.00 O ATOM 0 H SER A 82 7.214 -6.735 12.119 1.00 0.00 H new ATOM 0 HA SER A 82 8.996 -5.123 13.682 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.545 -5.957 15.501 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.818 -7.606 14.976 1.00 0.00 H new ATOM 0 HG SER A 82 10.152 -7.154 15.327 1.00 0.00 H new ATOM 1216 N ASN A 83 9.694 -6.831 11.605 1.00 0.00 N ATOM 1217 CA ASN A 83 10.600 -7.642 10.810 1.00 0.00 C ATOM 1218 C ASN A 83 11.005 -6.865 9.555 1.00 0.00 C ATOM 1219 O ASN A 83 10.162 -6.254 8.901 1.00 0.00 O ATOM 1220 CB ASN A 83 9.928 -8.943 10.365 1.00 0.00 C ATOM 1221 CG ASN A 83 10.449 -10.133 11.173 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.226 -10.945 10.699 1.00 0.00 O ATOM 1223 ND2 ASN A 83 9.978 -10.191 12.415 1.00 0.00 N ATOM 0 H ASN A 83 9.204 -6.103 11.085 1.00 0.00 H new ATOM 0 HA ASN A 83 11.469 -7.877 11.424 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.848 -8.860 10.489 1.00 0.00 H new ATOM 0 HB3 ASN A 83 10.115 -9.109 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.265 -10.949 13.034 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.330 -9.478 12.748 1.00 0.00 H new ATOM 1230 N ALA A 84 12.295 -6.916 9.257 1.00 0.00 N ATOM 1231 CA ALA A 84 12.821 -6.224 8.093 1.00 0.00 C ATOM 1232 C ALA A 84 12.585 -7.081 6.847 1.00 0.00 C ATOM 1233 O ALA A 84 13.016 -8.232 6.790 1.00 0.00 O ATOM 1234 CB ALA A 84 14.302 -5.910 8.312 1.00 0.00 C ATOM 0 H ALA A 84 12.991 -7.426 9.801 1.00 0.00 H new ATOM 0 HA ALA A 84 12.305 -5.275 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.697 -5.391 7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.413 -5.276 9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.853 -6.839 8.462 1.00 0.00 H new ATOM 1240 N LEU A 85 11.903 -6.486 5.879 1.00 0.00 N ATOM 1241 CA LEU A 85 11.605 -7.180 4.638 1.00 0.00 C ATOM 1242 C LEU A 85 12.900 -7.384 3.849 1.00 0.00 C ATOM 1243 O LEU A 85 13.952 -6.877 4.235 1.00 0.00 O ATOM 1244 CB LEU A 85 10.519 -6.438 3.857 1.00 0.00 C ATOM 1245 CG LEU A 85 9.230 -6.135 4.623 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.338 -5.173 3.836 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.495 -7.425 4.992 1.00 0.00 C ATOM 0 H LEU A 85 11.548 -5.531 5.929 1.00 0.00 H new ATOM 0 HA LEU A 85 11.197 -8.170 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.936 -5.496 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.265 -7.028 2.977 1.00 0.00 H new ATOM 0 HG LEU A 85 9.496 -5.638 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.428 -4.974 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.872 -4.238 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.077 -5.621 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.582 -7.181 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.241 -7.972 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.137 -8.043 5.620 1.00 0.00 H new ATOM 1259 N ASP A 86 12.780 -8.126 2.758 1.00 0.00 N ATOM 1260 CA ASP A 86 13.928 -8.403 1.912 1.00 0.00 C ATOM 1261 C ASP A 86 13.539 -8.191 0.447 1.00 0.00 C ATOM 1262 O ASP A 86 12.375 -8.345 0.082 1.00 0.00 O ATOM 1263 CB ASP A 86 14.394 -9.852 2.072 1.00 0.00 C ATOM 1264 CG ASP A 86 15.905 -10.031 2.228 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.537 -9.091 2.757 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.395 -11.104 1.815 1.00 0.00 O ATOM 0 H ASP A 86 11.905 -8.544 2.441 1.00 0.00 H new ATOM 0 HA ASP A 86 14.734 -7.731 2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.900 -10.283 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.063 -10.422 1.204 1.00 0.00 H new ATOM 1271 N PRO A 87 14.563 -7.832 -0.373 1.00 0.00 N ATOM 1272 CA PRO A 87 14.340 -7.597 -1.789 1.00 0.00 C ATOM 1273 C PRO A 87 14.155 -8.917 -2.541 1.00 0.00 C ATOM 1274 O PRO A 87 13.361 -8.996 -3.478 1.00 0.00 O ATOM 1275 CB PRO A 87 15.556 -6.814 -2.255 1.00 0.00 C ATOM 1276 CG PRO A 87 16.627 -7.040 -1.199 1.00 0.00 C ATOM 1277 CD PRO A 87 15.954 -7.640 0.025 1.00 0.00 C ATOM 0 HA PRO A 87 13.425 -7.038 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.892 -7.160 -3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.323 -5.754 -2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.400 -7.709 -1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.116 -6.100 -0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.418 -8.584 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.031 -6.975 0.885 1.00 0.00 H new ATOM 1285 N GLU A 88 14.901 -9.920 -2.103 1.00 0.00 N ATOM 1286 CA GLU A 88 14.829 -11.232 -2.723 1.00 0.00 C ATOM 1287 C GLU A 88 13.760 -12.086 -2.037 1.00 0.00 C ATOM 1288 O GLU A 88 13.787 -13.312 -2.129 1.00 0.00 O ATOM 1289 CB GLU A 88 16.190 -11.929 -2.692 1.00 0.00 C ATOM 1290 CG GLU A 88 17.214 -11.170 -3.538 1.00 0.00 C ATOM 1291 CD GLU A 88 18.408 -12.062 -3.886 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.772 -12.886 -3.019 1.00 0.00 O ATOM 1293 OE2 GLU A 88 18.929 -11.901 -5.010 1.00 0.00 O ATOM 0 H GLU A 88 15.558 -9.851 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 88 14.548 -11.103 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.543 -11.999 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.089 -12.948 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.742 -10.814 -4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.559 -10.290 -2.995 1.00 0.00 H new ATOM 1300 N THR A 89 12.845 -11.403 -1.365 1.00 0.00 N ATOM 1301 CA THR A 89 11.769 -12.083 -0.664 1.00 0.00 C ATOM 1302 C THR A 89 10.480 -11.264 -0.742 1.00 0.00 C ATOM 1303 O THR A 89 10.519 -10.035 -0.730 1.00 0.00 O ATOM 1304 CB THR A 89 12.234 -12.350 0.770 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.472 -13.038 0.611 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.339 -13.355 1.498 1.00 0.00 C ATOM 0 H THR A 89 12.827 -10.386 -1.291 1.00 0.00 H new ATOM 0 HA THR A 89 11.537 -13.041 -1.130 1.00 0.00 H new ATOM 0 HB THR A 89 12.253 -11.413 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.845 -13.249 1.493 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.713 -13.509 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.320 -12.970 1.542 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.345 -14.304 0.961 1.00 0.00 H new ATOM 1314 N SER A 90 9.367 -11.979 -0.821 1.00 0.00 N ATOM 1315 CA SER A 90 8.067 -11.333 -0.901 1.00 0.00 C ATOM 1316 C SER A 90 7.145 -11.875 0.193 1.00 0.00 C ATOM 1317 O SER A 90 6.967 -13.086 0.316 1.00 0.00 O ATOM 1318 CB SER A 90 7.434 -11.539 -2.279 1.00 0.00 C ATOM 1319 OG SER A 90 7.303 -12.920 -2.605 1.00 0.00 O ATOM 0 H SER A 90 9.338 -12.999 -0.831 1.00 0.00 H new ATOM 0 HA SER A 90 8.207 -10.262 -0.751 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.452 -11.066 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.043 -11.044 -3.035 1.00 0.00 H new ATOM 0 HG SER A 90 7.091 -13.429 -1.795 1.00 0.00 H new ATOM 1325 N VAL A 91 6.584 -10.952 0.960 1.00 0.00 N ATOM 1326 CA VAL A 91 5.685 -11.322 2.040 1.00 0.00 C ATOM 1327 C VAL A 91 4.261 -10.887 1.684 1.00 0.00 C ATOM 1328 O VAL A 91 4.069 -9.901 0.975 1.00 0.00 O ATOM 1329 CB VAL A 91 6.179 -10.727 3.360 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.601 -11.488 4.555 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.708 -10.704 3.412 1.00 0.00 C ATOM 0 H VAL A 91 6.735 -9.949 0.855 1.00 0.00 H new ATOM 0 HA VAL A 91 5.672 -12.404 2.172 1.00 0.00 H new ATOM 0 HB VAL A 91 5.826 -9.697 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.968 -11.045 5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.513 -11.430 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.910 -12.532 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.033 -10.276 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.090 -11.721 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.091 -10.098 2.591 1.00 0.00 H new ATOM 1341 N ASN A 92 3.301 -11.645 2.193 1.00 0.00 N ATOM 1342 CA ASN A 92 1.901 -11.350 1.938 1.00 0.00 C ATOM 1343 C ASN A 92 1.370 -10.428 3.037 1.00 0.00 C ATOM 1344 O ASN A 92 1.325 -10.810 4.205 1.00 0.00 O ATOM 1345 CB ASN A 92 1.059 -12.627 1.945 1.00 0.00 C ATOM 1346 CG ASN A 92 1.069 -13.283 3.327 1.00 0.00 C ATOM 1347 OD1 ASN A 92 0.235 -13.015 4.176 1.00 0.00 O ATOM 1348 ND2 ASN A 92 2.057 -14.155 3.505 1.00 0.00 N ATOM 0 H ASN A 92 3.465 -12.463 2.780 1.00 0.00 H new ATOM 0 HA ASN A 92 1.829 -10.876 0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.034 -12.393 1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.446 -13.326 1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.150 -14.646 4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.722 -14.333 2.752 1.00 0.00 H new ATOM 1355 N LEU A 93 0.981 -9.230 2.624 1.00 0.00 N ATOM 1356 CA LEU A 93 0.454 -8.251 3.558 1.00 0.00 C ATOM 1357 C LEU A 93 -0.643 -8.898 4.406 1.00 0.00 C ATOM 1358 O LEU A 93 -0.971 -10.068 4.214 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.003 -6.993 2.816 1.00 0.00 C ATOM 1360 CG LEU A 93 1.108 -6.076 2.302 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.561 -5.064 1.293 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.836 -5.393 3.462 1.00 0.00 C ATOM 0 H LEU A 93 1.021 -8.916 1.654 1.00 0.00 H new ATOM 0 HA LEU A 93 1.234 -7.922 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.616 -7.298 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.644 -6.416 3.482 1.00 0.00 H new ATOM 0 HG LEU A 93 1.841 -6.689 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.371 -4.424 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.126 -5.594 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.204 -4.452 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.621 -4.747 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.127 -4.795 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.279 -6.150 4.109 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.180 -8.109 5.325 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.233 -8.591 6.202 1.00 0.00 C ATOM 1376 C GLY A 94 -2.928 -7.429 6.914 1.00 0.00 C ATOM 1377 O GLY A 94 -2.310 -6.398 7.177 1.00 0.00 O ATOM 0 H GLY A 94 -0.905 -7.139 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.963 -9.156 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.813 -9.275 6.939 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.204 -7.634 7.206 1.00 0.00 N ATOM 1382 CA ASP A 95 -4.990 -6.616 7.882 1.00 0.00 C ATOM 1383 C ASP A 95 -4.413 -6.376 9.279 1.00 0.00 C ATOM 1384 O ASP A 95 -4.549 -7.220 10.164 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.446 -7.059 8.042 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.211 -6.371 9.174 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -7.155 -5.123 9.219 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.834 -7.108 9.968 1.00 0.00 O ATOM 0 H ASP A 95 -4.713 -8.490 6.987 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.954 -5.708 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.971 -6.875 7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.466 -8.135 8.212 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.780 -5.222 9.433 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.181 -4.862 10.706 1.00 0.00 C ATOM 1395 C GLY A 96 -1.654 -4.900 10.625 1.00 0.00 C ATOM 1396 O GLY A 96 -0.972 -4.843 11.647 1.00 0.00 O ATOM 0 H GLY A 96 -3.669 -4.525 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.508 -3.864 10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.525 -5.548 11.480 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.161 -4.996 9.399 1.00 0.00 N ATOM 1401 CA ASP A 97 0.273 -5.043 9.171 1.00 0.00 C ATOM 1402 C ASP A 97 0.814 -3.616 9.054 1.00 0.00 C ATOM 1403 O ASP A 97 0.382 -2.854 8.191 1.00 0.00 O ATOM 1404 CB ASP A 97 0.600 -5.780 7.870 1.00 0.00 C ATOM 1405 CG ASP A 97 0.319 -7.283 7.890 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.473 -7.701 8.763 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.902 -7.981 7.032 1.00 0.00 O ATOM 0 H ASP A 97 -1.729 -5.043 8.553 1.00 0.00 H new ATOM 0 HA ASP A 97 0.730 -5.569 10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.026 -5.329 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.654 -5.626 7.638 1.00 0.00 H new ATOM 1412 N VAL A 98 1.750 -3.299 9.936 1.00 0.00 N ATOM 1413 CA VAL A 98 2.354 -1.977 9.943 1.00 0.00 C ATOM 1414 C VAL A 98 3.635 -2.002 9.107 1.00 0.00 C ATOM 1415 O VAL A 98 4.531 -2.806 9.360 1.00 0.00 O ATOM 1416 CB VAL A 98 2.589 -1.517 11.384 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.667 -0.432 11.444 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.287 -1.033 12.024 1.00 0.00 C ATOM 0 H VAL A 98 2.105 -3.934 10.651 1.00 0.00 H new ATOM 0 HA VAL A 98 1.683 -1.248 9.488 1.00 0.00 H new ATOM 0 HB VAL A 98 2.944 -2.374 11.956 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.815 -0.123 12.479 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.602 -0.826 11.046 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.353 0.426 10.850 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.482 -0.712 13.047 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.889 -0.196 11.451 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.561 -1.846 12.031 1.00 0.00 H new ATOM 1428 N ILE A 99 3.681 -1.111 8.127 1.00 0.00 N ATOM 1429 CA ILE A 99 4.837 -1.021 7.251 1.00 0.00 C ATOM 1430 C ILE A 99 5.664 0.209 7.632 1.00 0.00 C ATOM 1431 O ILE A 99 5.270 1.339 7.349 1.00 0.00 O ATOM 1432 CB ILE A 99 4.402 -1.039 5.785 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.426 -2.187 5.517 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.614 -1.088 4.853 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.736 -2.015 4.162 1.00 0.00 C ATOM 0 H ILE A 99 2.936 -0.445 7.920 1.00 0.00 H new ATOM 0 HA ILE A 99 5.480 -1.892 7.378 1.00 0.00 H new ATOM 0 HB ILE A 99 3.872 -0.110 5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.961 -3.136 5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.677 -2.225 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.276 -1.100 3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.238 -0.210 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.193 -1.989 5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.048 -2.844 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.182 -1.076 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.486 -2.002 3.371 1.00 0.00 H new ATOM 1447 N LYS A 100 6.797 -0.054 8.268 1.00 0.00 N ATOM 1448 CA LYS A 100 7.683 1.017 8.690 1.00 0.00 C ATOM 1449 C LYS A 100 8.795 1.192 7.654 1.00 0.00 C ATOM 1450 O LYS A 100 9.712 0.376 7.579 1.00 0.00 O ATOM 1451 CB LYS A 100 8.199 0.759 10.108 1.00 0.00 C ATOM 1452 CG LYS A 100 7.305 1.436 11.148 1.00 0.00 C ATOM 1453 CD LYS A 100 7.426 0.745 12.508 1.00 0.00 C ATOM 1454 CE LYS A 100 7.096 -0.745 12.397 1.00 0.00 C ATOM 1455 NZ LYS A 100 6.176 -1.155 13.481 1.00 0.00 N ATOM 0 H LYS A 100 7.121 -0.993 8.501 1.00 0.00 H new ATOM 0 HA LYS A 100 7.141 1.962 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.234 -0.314 10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.219 1.132 10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.583 2.486 11.243 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.268 1.410 10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.438 0.869 12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.752 1.218 13.222 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.641 -0.951 11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.013 -1.331 12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.602 -1.962 13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.727 -1.432 14.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.551 -0.360 13.725 1.00 0.00 H new ATOM 1469 N LEU A 101 8.677 2.262 6.881 1.00 0.00 N ATOM 1470 CA LEU A 101 9.661 2.554 5.852 1.00 0.00 C ATOM 1471 C LEU A 101 10.199 3.972 6.055 1.00 0.00 C ATOM 1472 O LEU A 101 9.672 4.729 6.868 1.00 0.00 O ATOM 1473 CB LEU A 101 9.069 2.314 4.462 1.00 0.00 C ATOM 1474 CG LEU A 101 8.035 3.337 3.987 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.154 3.577 2.480 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.621 2.916 4.391 1.00 0.00 C ATOM 0 H LEU A 101 7.915 2.937 6.947 1.00 0.00 H new ATOM 0 HA LEU A 101 10.510 1.876 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.886 2.291 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.606 1.327 4.452 1.00 0.00 H new ATOM 0 HG LEU A 101 8.241 4.286 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.408 4.308 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.150 3.954 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.988 2.640 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.906 3.660 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.387 1.950 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.561 2.837 5.476 1.00 0.00 H new ATOM 1488 N GLY A 102 11.242 4.288 5.302 1.00 0.00 N ATOM 1489 CA GLY A 102 11.857 5.601 5.389 1.00 0.00 C ATOM 1490 C GLY A 102 12.542 5.797 6.743 1.00 0.00 C ATOM 1491 O GLY A 102 13.388 4.996 7.137 1.00 0.00 O ATOM 0 H GLY A 102 11.677 3.657 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.587 5.719 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.099 6.372 5.246 1.00 0.00 H new ATOM 1495 N GLU A 103 12.150 6.867 7.419 1.00 0.00 N ATOM 1496 CA GLU A 103 12.715 7.179 8.721 1.00 0.00 C ATOM 1497 C GLU A 103 11.679 6.940 9.820 1.00 0.00 C ATOM 1498 O GLU A 103 11.911 6.154 10.737 1.00 0.00 O ATOM 1499 CB GLU A 103 13.237 8.617 8.762 1.00 0.00 C ATOM 1500 CG GLU A 103 14.419 8.799 7.808 1.00 0.00 C ATOM 1501 CD GLU A 103 15.522 9.638 8.456 1.00 0.00 C ATOM 1502 OE1 GLU A 103 16.383 9.025 9.124 1.00 0.00 O ATOM 1503 OE2 GLU A 103 15.481 10.873 8.268 1.00 0.00 O ATOM 0 H GLU A 103 11.448 7.529 7.089 1.00 0.00 H new ATOM 0 HA GLU A 103 13.562 6.515 8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.437 9.306 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.543 8.868 9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.817 7.824 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.080 9.282 6.892 1.00 0.00 H new ATOM 1510 N TYR A 104 10.557 7.632 9.692 1.00 0.00 N ATOM 1511 CA TYR A 104 9.484 7.505 10.664 1.00 0.00 C ATOM 1512 C TYR A 104 8.123 7.421 9.970 1.00 0.00 C ATOM 1513 O TYR A 104 7.150 8.018 10.428 1.00 0.00 O ATOM 1514 CB TYR A 104 9.531 8.776 11.514 1.00 0.00 C ATOM 1515 CG TYR A 104 10.759 8.872 12.422 1.00 0.00 C ATOM 1516 CD1 TYR A 104 10.801 8.159 13.603 1.00 0.00 C ATOM 1517 CD2 TYR A 104 11.824 9.672 12.061 1.00 0.00 C ATOM 1518 CE1 TYR A 104 11.956 8.249 14.458 1.00 0.00 C ATOM 1519 CE2 TYR A 104 12.979 9.762 12.916 1.00 0.00 C ATOM 1520 CZ TYR A 104 12.988 9.046 14.072 1.00 0.00 C ATOM 1521 OH TYR A 104 14.079 9.131 14.879 1.00 0.00 O ATOM 0 H TYR A 104 10.367 8.283 8.930 1.00 0.00 H new ATOM 0 HA TYR A 104 9.610 6.600 11.258 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.511 9.643 10.854 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.632 8.823 12.129 1.00 0.00 H new ATOM 0 HD1 TYR A 104 9.967 7.533 13.886 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.791 10.231 11.137 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.002 7.696 15.385 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.819 10.384 12.645 1.00 0.00 H new ATOM 0 HH TYR A 104 14.737 9.735 14.477 1.00 0.00 H new ATOM 1531 N THR A 105 8.097 6.673 8.876 1.00 0.00 N ATOM 1532 CA THR A 105 6.872 6.502 8.115 1.00 0.00 C ATOM 1533 C THR A 105 6.306 5.097 8.323 1.00 0.00 C ATOM 1534 O THR A 105 6.966 4.106 8.015 1.00 0.00 O ATOM 1535 CB THR A 105 7.177 6.824 6.650 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.270 8.245 6.619 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.001 6.507 5.724 1.00 0.00 C ATOM 0 H THR A 105 8.906 6.179 8.499 1.00 0.00 H new ATOM 0 HA THR A 105 6.095 7.185 8.458 1.00 0.00 H new ATOM 0 HB THR A 105 8.053 6.261 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.468 8.540 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.270 6.754 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.761 5.446 5.791 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.133 7.095 6.023 1.00 0.00 H new ATOM 1545 N SER A 106 5.088 5.055 8.845 1.00 0.00 N ATOM 1546 CA SER A 106 4.426 3.787 9.099 1.00 0.00 C ATOM 1547 C SER A 106 3.113 3.717 8.316 1.00 0.00 C ATOM 1548 O SER A 106 2.334 4.669 8.317 1.00 0.00 O ATOM 1549 CB SER A 106 4.164 3.591 10.593 1.00 0.00 C ATOM 1550 OG SER A 106 5.352 3.735 11.367 1.00 0.00 O ATOM 0 H SER A 106 4.543 5.879 9.099 1.00 0.00 H new ATOM 0 HA SER A 106 5.084 2.985 8.766 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.422 4.316 10.929 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.740 2.601 10.760 1.00 0.00 H new ATOM 0 HG SER A 106 5.142 3.604 12.315 1.00 0.00 H new ATOM 1556 N ILE A 107 2.909 2.580 7.666 1.00 0.00 N ATOM 1557 CA ILE A 107 1.704 2.374 6.881 1.00 0.00 C ATOM 1558 C ILE A 107 0.973 1.131 7.393 1.00 0.00 C ATOM 1559 O ILE A 107 1.568 0.060 7.509 1.00 0.00 O ATOM 1560 CB ILE A 107 2.039 2.318 5.389 1.00 0.00 C ATOM 1561 CG1 ILE A 107 2.960 3.474 4.991 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.766 2.282 4.542 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.323 3.399 3.506 1.00 0.00 C ATOM 0 H ILE A 107 3.558 1.793 7.667 1.00 0.00 H new ATOM 0 HA ILE A 107 1.024 3.217 7.000 1.00 0.00 H new ATOM 0 HB ILE A 107 2.581 1.392 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.469 4.424 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.868 3.444 5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.033 2.242 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.181 1.400 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.176 3.178 4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.978 4.232 3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.835 2.458 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.415 3.454 2.906 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.306 1.314 7.686 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.124 0.221 8.184 1.00 0.00 C ATOM 1577 C LEU A 108 -1.893 -0.405 7.019 1.00 0.00 C ATOM 1578 O LEU A 108 -2.418 0.306 6.163 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.021 0.700 9.326 1.00 0.00 C ATOM 1580 CG LEU A 108 -2.323 -0.328 10.419 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -2.884 0.351 11.670 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -3.251 -1.426 9.897 1.00 0.00 C ATOM 0 H LEU A 108 -0.796 2.203 7.588 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.496 -0.562 8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.552 1.567 9.790 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.966 1.038 8.902 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.387 -0.807 10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.090 -0.402 12.431 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.156 1.065 12.054 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.807 0.874 11.418 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.450 -2.143 10.693 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.190 -0.982 9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.776 -1.936 9.059 1.00 0.00 H new ATOM 1594 N VAL A 109 -1.936 -1.729 7.023 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.632 -2.459 5.978 1.00 0.00 C ATOM 1596 C VAL A 109 -4.022 -2.858 6.479 1.00 0.00 C ATOM 1597 O VAL A 109 -4.145 -3.632 7.427 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.793 -3.657 5.528 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.607 -4.589 4.628 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.513 -3.197 4.826 1.00 0.00 C ATOM 0 H VAL A 109 -1.500 -2.315 7.734 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.771 -1.828 5.100 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.505 -4.217 6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.987 -5.432 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.475 -4.956 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.939 -4.043 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.065 -4.068 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.772 -2.603 3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.081 -2.592 5.512 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.033 -2.311 5.821 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.409 -2.599 6.188 1.00 0.00 C ATOM 1612 C ASN A 110 -7.155 -3.141 4.966 1.00 0.00 C ATOM 1613 O ASN A 110 -7.028 -2.602 3.868 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.130 -1.335 6.660 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.166 -1.263 8.188 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.170 -0.930 8.796 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -6.018 -1.593 8.772 1.00 0.00 N ATOM 0 H ASN A 110 -4.927 -1.669 5.035 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.396 -3.330 6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.625 -0.454 6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.147 -1.324 6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.940 -1.577 9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.215 -1.863 8.203 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.916 -4.200 5.199 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.682 -4.820 4.132 1.00 0.00 C ATOM 1626 C PHE A 111 -10.136 -4.344 4.153 1.00 0.00 C ATOM 1627 O PHE A 111 -10.878 -4.643 5.088 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.649 -6.330 4.377 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.293 -6.977 4.091 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.558 -6.571 3.020 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.822 -7.958 4.906 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.299 -7.172 2.755 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.563 -8.559 4.640 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.828 -8.153 3.570 1.00 0.00 C ATOM 0 H PHE A 111 -8.018 -4.644 6.111 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.255 -4.555 3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.922 -6.526 5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.406 -6.806 3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.932 -5.792 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.405 -8.280 5.756 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.715 -6.850 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.189 -9.338 5.287 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.870 -8.610 3.368 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.500 -3.611 3.111 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.852 -3.091 2.998 1.00 0.00 C ATOM 1646 C VAL A 112 -12.673 -4.009 2.090 1.00 0.00 C ATOM 1647 O VAL A 112 -12.409 -4.101 0.892 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.816 -1.642 2.507 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.201 -0.999 2.595 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.782 -0.825 3.286 1.00 0.00 C ATOM 0 H VAL A 112 -9.882 -3.365 2.338 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.339 -3.078 3.973 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.516 -1.651 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.148 0.030 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.902 -1.560 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.541 -1.009 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.776 0.201 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.038 -0.829 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.794 -1.265 3.150 1.00 0.00 H new