USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 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 41 CYS SG : rot -130:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 28:sc= 0.0493 USER MOD Single : A 9 MET CE :methyl 169:sc=-0.000791 (180deg=-0.209) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.684 X(o=-0.68,f=-0.45) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 38 THR OG1 : rot 68:sc= 1.27 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 173:sc= 0 (180deg=-0.0832) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 141:sc= 0.184 USER MOD Single : A 54 THR OG1 : rot 119:sc= -1.58! USER MOD Single : A 55 TYR OH : rot -130:sc= -0.925 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.015 (180deg=-0.146) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -130:sc= -0.0877 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0391) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.035 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 0.361 -0.035 0.232 1.00 72.13 N ATOM 2 CA MET A 9 1.160 0.078 -0.983 1.00 21.32 C ATOM 3 C MET A 9 1.080 -1.203 -1.808 1.00 34.15 C ATOM 4 O MET A 9 2.030 -1.984 -1.855 1.00 62.00 O ATOM 5 CB MET A 9 2.618 0.382 -0.633 1.00 0.00 C ATOM 6 CG MET A 9 3.481 0.694 -1.845 1.00 24.34 C ATOM 7 SD MET A 9 4.896 1.735 -1.440 1.00 3.42 S ATOM 8 CE MET A 9 6.251 0.672 -1.930 1.00 63.40 C ATOM 0 HA MET A 9 0.757 0.898 -1.578 1.00 21.32 H new ATOM 0 HB2 MET A 9 2.650 1.228 0.053 1.00 0.00 H new ATOM 0 HB3 MET A 9 3.042 -0.472 -0.105 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.835 -0.239 -2.284 1.00 24.34 H new ATOM 0 HG3 MET A 9 2.873 1.192 -2.601 1.00 24.34 H new ATOM 0 HE1 MET A 9 7.180 1.242 -1.926 1.00 63.40 H new ATOM 0 HE2 MET A 9 6.332 -0.160 -1.230 1.00 63.40 H new ATOM 0 HE3 MET A 9 6.067 0.286 -2.933 1.00 63.40 H new ATOM 18 N LYS A 10 -0.061 -1.413 -2.456 1.00 21.20 N ATOM 19 CA LYS A 10 -0.266 -2.599 -3.280 1.00 10.51 C ATOM 20 C LYS A 10 -0.791 -2.217 -4.661 1.00 24.34 C ATOM 21 O LYS A 10 -1.450 -1.190 -4.822 1.00 43.22 O ATOM 22 CB LYS A 10 -1.245 -3.556 -2.597 1.00 71.32 C ATOM 23 CG LYS A 10 -0.566 -4.626 -1.760 1.00 64.22 C ATOM 24 CD LYS A 10 -1.520 -5.759 -1.422 1.00 62.30 C ATOM 25 CE LYS A 10 -1.820 -5.809 0.068 1.00 21.22 C ATOM 26 NZ LYS A 10 -3.230 -6.206 0.337 1.00 23.41 N ATOM 0 H LYS A 10 -0.858 -0.777 -2.427 1.00 21.20 H new ATOM 0 HA LYS A 10 0.695 -3.098 -3.401 1.00 10.51 H new ATOM 0 HB2 LYS A 10 -1.918 -2.981 -1.960 1.00 71.32 H new ATOM 0 HB3 LYS A 10 -1.860 -4.037 -3.358 1.00 71.32 H new ATOM 0 HG2 LYS A 10 0.293 -5.022 -2.302 1.00 64.22 H new ATOM 0 HG3 LYS A 10 -0.186 -4.183 -0.840 1.00 64.22 H new ATOM 0 HD2 LYS A 10 -2.449 -5.631 -1.977 1.00 62.30 H new ATOM 0 HD3 LYS A 10 -1.087 -6.708 -1.739 1.00 62.30 H new ATOM 0 HE2 LYS A 10 -1.145 -6.516 0.551 1.00 21.22 H new ATOM 0 HE3 LYS A 10 -1.627 -4.832 0.510 1.00 21.22 H new ATOM 0 HZ1 LYS A 10 -3.395 -6.228 1.364 1.00 23.41 H new ATOM 0 HZ2 LYS A 10 -3.874 -5.518 -0.102 1.00 23.41 H new ATOM 0 HZ3 LYS A 10 -3.407 -7.150 -0.063 1.00 23.41 H new ATOM 40 N ILE A 11 -0.495 -3.051 -5.652 1.00 32.53 N ATOM 41 CA ILE A 11 -0.940 -2.802 -7.017 1.00 63.23 C ATOM 42 C ILE A 11 -1.487 -4.073 -7.658 1.00 35.13 C ATOM 43 O ILE A 11 -1.067 -5.181 -7.324 1.00 33.14 O ATOM 44 CB ILE A 11 0.204 -2.253 -7.890 1.00 50.22 C ATOM 45 CG1 ILE A 11 1.334 -3.279 -7.994 1.00 1.04 C ATOM 46 CG2 ILE A 11 0.723 -0.941 -7.320 1.00 34.33 C ATOM 47 CD1 ILE A 11 1.569 -3.779 -9.402 1.00 21.44 C ATOM 0 H ILE A 11 0.051 -3.905 -5.535 1.00 32.53 H new ATOM 0 HA ILE A 11 -1.733 -2.057 -6.959 1.00 63.23 H new ATOM 0 HB ILE A 11 -0.182 -2.064 -8.892 1.00 50.22 H new ATOM 0 HG12 ILE A 11 2.254 -2.833 -7.617 1.00 1.04 H new ATOM 0 HG13 ILE A 11 1.104 -4.127 -7.350 1.00 1.04 H new ATOM 0 HG21 ILE A 11 1.531 -0.566 -7.948 1.00 34.33 H new ATOM 0 HG22 ILE A 11 -0.086 -0.210 -7.294 1.00 34.33 H new ATOM 0 HG23 ILE A 11 1.096 -1.106 -6.309 1.00 34.33 H new ATOM 0 HD11 ILE A 11 2.384 -4.503 -9.400 1.00 21.44 H new ATOM 0 HD12 ILE A 11 0.662 -4.255 -9.775 1.00 21.44 H new ATOM 0 HD13 ILE A 11 1.831 -2.940 -10.047 1.00 21.44 H new ATOM 59 N LYS A 12 -2.427 -3.906 -8.582 1.00 13.41 N ATOM 60 CA LYS A 12 -3.032 -5.038 -9.273 1.00 62.22 C ATOM 61 C LYS A 12 -2.735 -4.984 -10.768 1.00 73.34 C ATOM 62 O LYS A 12 -3.137 -4.046 -11.457 1.00 12.43 O ATOM 63 CB LYS A 12 -4.545 -5.054 -9.043 1.00 24.43 C ATOM 64 CG LYS A 12 -4.942 -4.810 -7.597 1.00 73.23 C ATOM 65 CD LYS A 12 -6.317 -5.382 -7.293 1.00 24.33 C ATOM 66 CE LYS A 12 -6.231 -6.837 -6.857 1.00 63.12 C ATOM 67 NZ LYS A 12 -7.578 -7.461 -6.739 1.00 64.34 N ATOM 0 H LYS A 12 -2.787 -2.996 -8.870 1.00 13.41 H new ATOM 0 HA LYS A 12 -2.600 -5.953 -8.867 1.00 62.22 H new ATOM 0 HB2 LYS A 12 -5.008 -4.293 -9.672 1.00 24.43 H new ATOM 0 HB3 LYS A 12 -4.943 -6.017 -9.363 1.00 24.43 H new ATOM 0 HG2 LYS A 12 -4.204 -5.262 -6.935 1.00 73.23 H new ATOM 0 HG3 LYS A 12 -4.939 -3.739 -7.393 1.00 73.23 H new ATOM 0 HD2 LYS A 12 -6.792 -4.793 -6.508 1.00 24.33 H new ATOM 0 HD3 LYS A 12 -6.949 -5.303 -8.178 1.00 24.33 H new ATOM 0 HE2 LYS A 12 -5.633 -7.397 -7.576 1.00 63.12 H new ATOM 0 HE3 LYS A 12 -5.717 -6.899 -5.898 1.00 63.12 H new ATOM 0 HZ1 LYS A 12 -7.477 -8.452 -6.440 1.00 64.34 H new ATOM 0 HZ2 LYS A 12 -8.140 -6.942 -6.034 1.00 64.34 H new ATOM 0 HZ3 LYS A 12 -8.059 -7.425 -7.660 1.00 64.34 H new ATOM 81 N ILE A 13 -2.032 -5.996 -11.264 1.00 62.53 N ATOM 82 CA ILE A 13 -1.685 -6.065 -12.678 1.00 44.44 C ATOM 83 C ILE A 13 -2.294 -7.298 -13.335 1.00 75.14 C ATOM 84 O ILE A 13 -2.032 -8.428 -12.923 1.00 60.24 O ATOM 85 CB ILE A 13 -0.158 -6.090 -12.883 1.00 13.52 C ATOM 86 CG1 ILE A 13 0.487 -7.113 -11.946 1.00 11.21 C ATOM 87 CG2 ILE A 13 0.430 -4.706 -12.651 1.00 12.25 C ATOM 88 CD1 ILE A 13 1.995 -7.161 -12.050 1.00 42.23 C ATOM 0 H ILE A 13 -1.691 -6.780 -10.707 1.00 62.53 H new ATOM 0 HA ILE A 13 -2.092 -5.169 -13.146 1.00 44.44 H new ATOM 0 HB ILE A 13 0.051 -6.384 -13.911 1.00 13.52 H new ATOM 0 HG12 ILE A 13 0.209 -6.878 -10.918 1.00 11.21 H new ATOM 0 HG13 ILE A 13 0.084 -8.101 -12.167 1.00 11.21 H new ATOM 0 HG21 ILE A 13 1.509 -4.740 -12.799 1.00 12.25 H new ATOM 0 HG22 ILE A 13 -0.011 -4.001 -13.355 1.00 12.25 H new ATOM 0 HG23 ILE A 13 0.214 -4.385 -11.632 1.00 12.25 H new ATOM 0 HD11 ILE A 13 2.384 -7.908 -11.358 1.00 42.23 H new ATOM 0 HD12 ILE A 13 2.281 -7.426 -13.068 1.00 42.23 H new ATOM 0 HD13 ILE A 13 2.408 -6.184 -11.799 1.00 42.23 H new ATOM 100 N VAL A 14 -3.109 -7.074 -14.361 1.00 52.35 N ATOM 101 CA VAL A 14 -3.755 -8.167 -15.079 1.00 3.15 C ATOM 102 C VAL A 14 -3.298 -8.216 -16.532 1.00 40.02 C ATOM 103 O VAL A 14 -3.524 -7.290 -17.311 1.00 50.05 O ATOM 104 CB VAL A 14 -5.289 -8.036 -15.038 1.00 22.20 C ATOM 105 CG1 VAL A 14 -5.723 -6.677 -15.566 1.00 33.43 C ATOM 106 CG2 VAL A 14 -5.940 -9.159 -15.832 1.00 1.22 C ATOM 0 H VAL A 14 -3.338 -6.145 -14.714 1.00 52.35 H new ATOM 0 HA VAL A 14 -3.463 -9.091 -14.579 1.00 3.15 H new ATOM 0 HB VAL A 14 -5.616 -8.117 -14.002 1.00 22.20 H new ATOM 0 HG11 VAL A 14 -6.810 -6.603 -15.529 1.00 33.43 H new ATOM 0 HG12 VAL A 14 -5.285 -5.891 -14.951 1.00 33.43 H new ATOM 0 HG13 VAL A 14 -5.386 -6.562 -16.596 1.00 33.43 H new ATOM 0 HG21 VAL A 14 -7.024 -9.051 -15.793 1.00 1.22 H new ATOM 0 HG22 VAL A 14 -5.608 -9.111 -16.869 1.00 1.22 H new ATOM 0 HG23 VAL A 14 -5.655 -10.120 -15.404 1.00 1.22 H new ATOM 116 N PRO A 15 -2.640 -9.322 -16.908 1.00 64.35 N ATOM 117 CA PRO A 15 -2.138 -9.520 -18.272 1.00 1.24 C ATOM 118 C PRO A 15 -3.263 -9.729 -19.279 1.00 53.41 C ATOM 119 O PRO A 15 -4.268 -10.371 -18.977 1.00 33.23 O ATOM 120 CB PRO A 15 -1.283 -10.784 -18.155 1.00 70.32 C ATOM 121 CG PRO A 15 -1.850 -11.519 -16.990 1.00 73.11 C ATOM 122 CD PRO A 15 -2.335 -10.466 -16.032 1.00 41.13 C ATOM 0 HA PRO A 15 -1.590 -8.650 -18.635 1.00 1.24 H new ATOM 0 HB2 PRO A 15 -1.335 -11.383 -19.064 1.00 70.32 H new ATOM 0 HB3 PRO A 15 -0.233 -10.538 -17.995 1.00 70.32 H new ATOM 0 HG2 PRO A 15 -2.667 -12.171 -17.300 1.00 73.11 H new ATOM 0 HG3 PRO A 15 -1.096 -12.153 -16.524 1.00 73.11 H new ATOM 0 HD2 PRO A 15 -3.216 -10.798 -15.483 1.00 41.13 H new ATOM 0 HD3 PRO A 15 -1.575 -10.214 -15.293 1.00 41.13 H new ATOM 130 N ALA A 16 -3.087 -9.182 -20.478 1.00 14.24 N ATOM 131 CA ALA A 16 -4.087 -9.311 -21.530 1.00 54.32 C ATOM 132 C ALA A 16 -3.836 -10.554 -22.377 1.00 41.52 C ATOM 133 O ALA A 16 -3.418 -10.457 -23.531 1.00 41.41 O ATOM 134 CB ALA A 16 -4.096 -8.066 -22.405 1.00 61.03 C ATOM 0 H ALA A 16 -2.261 -8.646 -20.744 1.00 14.24 H new ATOM 0 HA ALA A 16 -5.064 -9.417 -21.058 1.00 54.32 H new ATOM 0 HB1 ALA A 16 -4.848 -8.176 -23.187 1.00 61.03 H new ATOM 0 HB2 ALA A 16 -4.332 -7.194 -21.795 1.00 61.03 H new ATOM 0 HB3 ALA A 16 -3.115 -7.935 -22.861 1.00 61.03 H new ATOM 140 N VAL A 17 -4.092 -11.722 -21.797 1.00 14.42 N ATOM 141 CA VAL A 17 -3.894 -12.984 -22.499 1.00 11.03 C ATOM 142 C VAL A 17 -4.843 -14.058 -21.977 1.00 43.44 C ATOM 143 O VAL A 17 -4.810 -14.411 -20.799 1.00 53.43 O ATOM 144 CB VAL A 17 -2.444 -13.483 -22.357 1.00 21.10 C ATOM 145 CG1 VAL A 17 -1.510 -12.671 -23.241 1.00 55.53 C ATOM 146 CG2 VAL A 17 -2.000 -13.424 -20.903 1.00 52.01 C ATOM 0 H VAL A 17 -4.437 -11.820 -20.842 1.00 14.42 H new ATOM 0 HA VAL A 17 -4.105 -12.797 -23.552 1.00 11.03 H new ATOM 0 HB VAL A 17 -2.403 -14.522 -22.684 1.00 21.10 H new ATOM 0 HG11 VAL A 17 -0.490 -13.038 -23.127 1.00 55.53 H new ATOM 0 HG12 VAL A 17 -1.817 -12.770 -24.282 1.00 55.53 H new ATOM 0 HG13 VAL A 17 -1.553 -11.622 -22.948 1.00 55.53 H new ATOM 0 HG21 VAL A 17 -0.973 -13.780 -20.821 1.00 52.01 H new ATOM 0 HG22 VAL A 17 -2.057 -12.395 -20.547 1.00 52.01 H new ATOM 0 HG23 VAL A 17 -2.652 -14.054 -20.298 1.00 52.01 H new ATOM 156 N GLY A 18 -5.688 -14.574 -22.864 1.00 61.34 N ATOM 157 CA GLY A 18 -6.634 -15.603 -22.475 1.00 73.41 C ATOM 158 C GLY A 18 -7.429 -15.223 -21.241 1.00 61.55 C ATOM 159 O GLY A 18 -7.277 -15.834 -20.184 1.00 42.22 O ATOM 0 H GLY A 18 -5.734 -14.298 -23.845 1.00 61.34 H new ATOM 0 HA2 GLY A 18 -7.320 -15.793 -23.301 1.00 73.41 H new ATOM 0 HA3 GLY A 18 -6.097 -16.533 -22.286 1.00 73.41 H new ATOM 163 N GLY A 19 -8.279 -14.210 -21.376 1.00 32.03 N ATOM 164 CA GLY A 19 -9.087 -13.766 -20.255 1.00 3.33 C ATOM 165 C GLY A 19 -8.364 -12.759 -19.382 1.00 45.03 C ATOM 166 O GLY A 19 -8.906 -11.703 -19.061 1.00 40.51 O ATOM 0 H GLY A 19 -8.423 -13.689 -22.241 1.00 32.03 H new ATOM 0 HA2 GLY A 19 -10.009 -13.322 -20.629 1.00 3.33 H new ATOM 0 HA3 GLY A 19 -9.371 -14.628 -19.651 1.00 3.33 H new ATOM 170 N GLY A 20 -7.134 -13.088 -18.996 1.00 14.41 N ATOM 171 CA GLY A 20 -6.357 -12.194 -18.157 1.00 63.42 C ATOM 172 C GLY A 20 -6.891 -12.118 -16.741 1.00 4.15 C ATOM 173 O GLY A 20 -7.992 -11.618 -16.511 1.00 60.32 O ATOM 0 H GLY A 20 -6.663 -13.956 -19.249 1.00 14.41 H new ATOM 0 HA2 GLY A 20 -5.321 -12.532 -18.134 1.00 63.42 H new ATOM 0 HA3 GLY A 20 -6.357 -11.196 -18.596 1.00 63.42 H new ATOM 177 N SER A 21 -6.109 -12.616 -15.788 1.00 11.35 N ATOM 178 CA SER A 21 -6.512 -12.606 -14.386 1.00 70.51 C ATOM 179 C SER A 21 -5.666 -11.622 -13.584 1.00 60.31 C ATOM 180 O SER A 21 -4.449 -11.533 -13.748 1.00 51.22 O ATOM 181 CB SER A 21 -6.387 -14.009 -13.788 1.00 70.24 C ATOM 182 OG SER A 21 -5.368 -14.750 -14.436 1.00 25.51 O ATOM 0 H SER A 21 -5.193 -13.031 -15.961 1.00 11.35 H new ATOM 0 HA SER A 21 -7.553 -12.288 -14.335 1.00 70.51 H new ATOM 0 HB2 SER A 21 -6.166 -13.936 -12.723 1.00 70.24 H new ATOM 0 HB3 SER A 21 -7.338 -14.534 -13.881 1.00 70.24 H new ATOM 0 HG SER A 21 -5.307 -15.642 -14.035 1.00 25.51 H new ATOM 188 N PRO A 22 -6.325 -10.865 -12.694 1.00 41.05 N ATOM 189 CA PRO A 22 -5.654 -9.874 -11.848 1.00 52.41 C ATOM 190 C PRO A 22 -4.768 -10.520 -10.789 1.00 34.23 C ATOM 191 O PRO A 22 -5.197 -11.429 -10.076 1.00 54.13 O ATOM 192 CB PRO A 22 -6.816 -9.125 -11.190 1.00 21.33 C ATOM 193 CG PRO A 22 -7.946 -10.096 -11.198 1.00 64.45 C ATOM 194 CD PRO A 22 -7.775 -10.918 -12.446 1.00 73.50 C ATOM 0 HA PRO A 22 -4.986 -9.232 -12.423 1.00 52.41 H new ATOM 0 HB2 PRO A 22 -6.565 -8.818 -10.175 1.00 21.33 H new ATOM 0 HB3 PRO A 22 -7.068 -8.220 -11.743 1.00 21.33 H new ATOM 0 HG2 PRO A 22 -7.925 -10.727 -10.309 1.00 64.45 H new ATOM 0 HG3 PRO A 22 -8.905 -9.579 -11.200 1.00 64.45 H new ATOM 0 HD2 PRO A 22 -8.121 -11.942 -12.303 1.00 73.50 H new ATOM 0 HD3 PRO A 22 -8.341 -10.504 -13.281 1.00 73.50 H new ATOM 202 N LEU A 23 -3.531 -10.047 -10.689 1.00 53.42 N ATOM 203 CA LEU A 23 -2.584 -10.579 -9.715 1.00 53.54 C ATOM 204 C LEU A 23 -2.116 -9.487 -8.759 1.00 10.24 C ATOM 205 O LEU A 23 -1.862 -8.355 -9.170 1.00 61.43 O ATOM 206 CB LEU A 23 -1.381 -11.197 -10.430 1.00 33.04 C ATOM 207 CG LEU A 23 -0.618 -12.270 -9.652 1.00 71.14 C ATOM 208 CD1 LEU A 23 -1.462 -13.527 -9.509 1.00 13.15 C ATOM 209 CD2 LEU A 23 0.702 -12.588 -10.339 1.00 23.12 C ATOM 0 H LEU A 23 -3.160 -9.296 -11.271 1.00 53.42 H new ATOM 0 HA LEU A 23 -3.091 -11.351 -9.136 1.00 53.54 H new ATOM 0 HB2 LEU A 23 -1.725 -11.632 -11.368 1.00 33.04 H new ATOM 0 HB3 LEU A 23 -0.685 -10.398 -10.686 1.00 33.04 H new ATOM 0 HG LEU A 23 -0.403 -11.886 -8.655 1.00 71.14 H new ATOM 0 HD11 LEU A 23 -0.903 -14.279 -8.953 1.00 13.15 H new ATOM 0 HD12 LEU A 23 -2.381 -13.289 -8.974 1.00 13.15 H new ATOM 0 HD13 LEU A 23 -1.708 -13.915 -10.498 1.00 13.15 H new ATOM 0 HD21 LEU A 23 1.232 -13.353 -9.772 1.00 23.12 H new ATOM 0 HD22 LEU A 23 0.509 -12.952 -11.348 1.00 23.12 H new ATOM 0 HD23 LEU A 23 1.312 -11.686 -10.390 1.00 23.12 H new ATOM 221 N GLU A 24 -2.002 -9.835 -7.481 1.00 35.42 N ATOM 222 CA GLU A 24 -1.563 -8.885 -6.466 1.00 50.44 C ATOM 223 C GLU A 24 -0.045 -8.918 -6.310 1.00 54.05 C ATOM 224 O GLU A 24 0.547 -9.980 -6.116 1.00 60.31 O ATOM 225 CB GLU A 24 -2.231 -9.191 -5.125 1.00 34.24 C ATOM 226 CG GLU A 24 -3.727 -8.923 -5.114 1.00 40.02 C ATOM 227 CD GLU A 24 -4.459 -9.738 -4.066 1.00 24.24 C ATOM 228 OE1 GLU A 24 -4.150 -10.940 -3.926 1.00 31.10 O ATOM 229 OE2 GLU A 24 -5.340 -9.173 -3.384 1.00 60.44 O ATOM 0 H GLU A 24 -2.208 -10.768 -7.124 1.00 35.42 H new ATOM 0 HA GLU A 24 -1.856 -7.886 -6.790 1.00 50.44 H new ATOM 0 HB2 GLU A 24 -2.056 -10.237 -4.872 1.00 34.24 H new ATOM 0 HB3 GLU A 24 -1.757 -8.591 -4.348 1.00 34.24 H new ATOM 0 HG2 GLU A 24 -3.901 -7.863 -4.931 1.00 40.02 H new ATOM 0 HG3 GLU A 24 -4.140 -9.148 -6.097 1.00 40.02 H new ATOM 236 N LEU A 25 0.578 -7.748 -6.398 1.00 20.23 N ATOM 237 CA LEU A 25 2.027 -7.642 -6.267 1.00 1.10 C ATOM 238 C LEU A 25 2.415 -6.361 -5.536 1.00 44.53 C ATOM 239 O LEU A 25 1.640 -5.406 -5.483 1.00 22.51 O ATOM 240 CB LEU A 25 2.687 -7.676 -7.646 1.00 42.05 C ATOM 241 CG LEU A 25 3.606 -8.867 -7.922 1.00 33.12 C ATOM 242 CD1 LEU A 25 4.691 -8.961 -6.861 1.00 10.24 C ATOM 243 CD2 LEU A 25 2.802 -10.158 -7.981 1.00 10.13 C ATOM 0 H LEU A 25 0.103 -6.860 -6.559 1.00 20.23 H new ATOM 0 HA LEU A 25 2.378 -8.492 -5.682 1.00 1.10 H new ATOM 0 HB2 LEU A 25 1.902 -7.665 -8.402 1.00 42.05 H new ATOM 0 HB3 LEU A 25 3.264 -6.760 -7.773 1.00 42.05 H new ATOM 0 HG LEU A 25 4.085 -8.716 -8.889 1.00 33.12 H new ATOM 0 HD11 LEU A 25 5.335 -9.814 -7.074 1.00 10.24 H new ATOM 0 HD12 LEU A 25 5.285 -8.047 -6.866 1.00 10.24 H new ATOM 0 HD13 LEU A 25 4.231 -9.089 -5.881 1.00 10.24 H new ATOM 0 HD21 LEU A 25 3.472 -10.995 -8.178 1.00 10.13 H new ATOM 0 HD22 LEU A 25 2.296 -10.315 -7.029 1.00 10.13 H new ATOM 0 HD23 LEU A 25 2.062 -10.090 -8.778 1.00 10.13 H new ATOM 255 N GLU A 26 3.621 -6.346 -4.977 1.00 23.51 N ATOM 256 CA GLU A 26 4.112 -5.181 -4.251 1.00 23.12 C ATOM 257 C GLU A 26 5.263 -4.518 -5.001 1.00 44.34 C ATOM 258 O GLU A 26 6.376 -5.042 -5.043 1.00 64.10 O ATOM 259 CB GLU A 26 4.569 -5.582 -2.847 1.00 33.54 C ATOM 260 CG GLU A 26 5.492 -6.789 -2.828 1.00 74.42 C ATOM 261 CD GLU A 26 6.638 -6.632 -1.848 1.00 61.23 C ATOM 262 OE1 GLU A 26 6.370 -6.539 -0.632 1.00 55.42 O ATOM 263 OE2 GLU A 26 7.803 -6.603 -2.297 1.00 11.41 O ATOM 0 H GLU A 26 4.276 -7.127 -5.013 1.00 23.51 H new ATOM 0 HA GLU A 26 3.294 -4.465 -4.169 1.00 23.12 H new ATOM 0 HB2 GLU A 26 5.080 -4.737 -2.385 1.00 33.54 H new ATOM 0 HB3 GLU A 26 3.692 -5.796 -2.236 1.00 33.54 H new ATOM 0 HG2 GLU A 26 4.916 -7.678 -2.569 1.00 74.42 H new ATOM 0 HG3 GLU A 26 5.894 -6.950 -3.828 1.00 74.42 H new ATOM 270 N VAL A 27 4.987 -3.361 -5.594 1.00 53.53 N ATOM 271 CA VAL A 27 5.998 -2.624 -6.343 1.00 70.22 C ATOM 272 C VAL A 27 5.854 -1.121 -6.130 1.00 73.54 C ATOM 273 O VAL A 27 4.793 -0.639 -5.735 1.00 32.43 O ATOM 274 CB VAL A 27 5.912 -2.929 -7.851 1.00 5.34 C ATOM 275 CG1 VAL A 27 4.696 -2.253 -8.464 1.00 15.01 C ATOM 276 CG2 VAL A 27 7.187 -2.491 -8.555 1.00 45.43 C ATOM 0 H VAL A 27 4.071 -2.913 -5.570 1.00 53.53 H new ATOM 0 HA VAL A 27 6.969 -2.949 -5.969 1.00 70.22 H new ATOM 0 HB VAL A 27 5.803 -4.006 -7.981 1.00 5.34 H new ATOM 0 HG11 VAL A 27 4.652 -2.480 -9.529 1.00 15.01 H new ATOM 0 HG12 VAL A 27 3.792 -2.619 -7.977 1.00 15.01 H new ATOM 0 HG13 VAL A 27 4.771 -1.174 -8.325 1.00 15.01 H new ATOM 0 HG21 VAL A 27 7.110 -2.714 -9.619 1.00 45.43 H new ATOM 0 HG22 VAL A 27 7.329 -1.419 -8.418 1.00 45.43 H new ATOM 0 HG23 VAL A 27 8.038 -3.026 -8.133 1.00 45.43 H new ATOM 286 N ALA A 28 6.928 -0.386 -6.396 1.00 41.14 N ATOM 287 CA ALA A 28 6.921 1.063 -6.237 1.00 34.14 C ATOM 288 C ALA A 28 7.108 1.764 -7.578 1.00 1.13 C ATOM 289 O ALA A 28 8.165 1.685 -8.204 1.00 51.34 O ATOM 290 CB ALA A 28 8.005 1.492 -5.259 1.00 34.43 C ATOM 0 H ALA A 28 7.815 -0.770 -6.723 1.00 41.14 H new ATOM 0 HA ALA A 28 5.950 1.355 -5.837 1.00 34.14 H new ATOM 0 HB1 ALA A 28 7.988 2.576 -5.150 1.00 34.43 H new ATOM 0 HB2 ALA A 28 7.825 1.027 -4.290 1.00 34.43 H new ATOM 0 HB3 ALA A 28 8.979 1.180 -5.636 1.00 34.43 H new ATOM 296 N PRO A 29 6.059 2.467 -8.031 1.00 21.42 N ATOM 297 CA PRO A 29 6.084 3.195 -9.303 1.00 1.25 C ATOM 298 C PRO A 29 7.003 4.411 -9.256 1.00 1.20 C ATOM 299 O PRO A 29 7.314 5.006 -10.287 1.00 72.32 O ATOM 300 CB PRO A 29 4.629 3.632 -9.490 1.00 31.40 C ATOM 301 CG PRO A 29 4.070 3.688 -8.110 1.00 75.54 C ATOM 302 CD PRO A 29 4.768 2.604 -7.336 1.00 40.21 C ATOM 0 HA PRO A 29 6.467 2.580 -10.117 1.00 1.25 H new ATOM 0 HB2 PRO A 29 4.567 4.603 -9.982 1.00 31.40 H new ATOM 0 HB3 PRO A 29 4.080 2.924 -10.111 1.00 31.40 H new ATOM 0 HG2 PRO A 29 4.244 4.664 -7.658 1.00 75.54 H new ATOM 0 HG3 PRO A 29 2.992 3.529 -8.119 1.00 75.54 H new ATOM 0 HD2 PRO A 29 4.902 2.879 -6.290 1.00 40.21 H new ATOM 0 HD3 PRO A 29 4.203 1.672 -7.350 1.00 40.21 H new ATOM 310 N ASN A 30 7.435 4.775 -8.053 1.00 0.01 N ATOM 311 CA ASN A 30 8.319 5.921 -7.872 1.00 60.15 C ATOM 312 C ASN A 30 9.779 5.515 -8.048 1.00 21.51 C ATOM 313 O ASN A 30 10.689 6.265 -7.697 1.00 22.55 O ATOM 314 CB ASN A 30 8.113 6.538 -6.488 1.00 35.34 C ATOM 315 CG ASN A 30 8.423 5.563 -5.368 1.00 64.23 C ATOM 316 OD1 ASN A 30 9.584 5.360 -5.012 1.00 20.34 O ATOM 317 ND2 ASN A 30 7.384 4.954 -4.809 1.00 24.04 N ATOM 0 H ASN A 30 7.187 4.293 -7.189 1.00 0.01 H new ATOM 0 HA ASN A 30 8.072 6.662 -8.632 1.00 60.15 H new ATOM 0 HB2 ASN A 30 8.749 7.417 -6.387 1.00 35.34 H new ATOM 0 HB3 ASN A 30 7.082 6.878 -6.395 1.00 35.34 H new ATOM 0 HD21 ASN A 30 7.531 4.287 -4.052 1.00 24.04 H new ATOM 0 HD22 ASN A 30 6.439 5.154 -5.137 1.00 24.04 H new ATOM 324 N ALA A 31 9.994 4.322 -8.594 1.00 42.34 N ATOM 325 CA ALA A 31 11.343 3.817 -8.819 1.00 52.11 C ATOM 326 C ALA A 31 11.711 3.873 -10.298 1.00 12.51 C ATOM 327 O ALA A 31 12.422 4.777 -10.738 1.00 5.21 O ATOM 328 CB ALA A 31 11.467 2.394 -8.296 1.00 62.32 C ATOM 0 H ALA A 31 9.251 3.688 -8.888 1.00 42.34 H new ATOM 0 HA ALA A 31 12.039 4.455 -8.274 1.00 52.11 H new ATOM 0 HB1 ALA A 31 12.479 2.029 -8.470 1.00 62.32 H new ATOM 0 HB2 ALA A 31 11.255 2.380 -7.227 1.00 62.32 H new ATOM 0 HB3 ALA A 31 10.755 1.752 -8.815 1.00 62.32 H new ATOM 334 N THR A 32 11.222 2.901 -11.062 1.00 43.52 N ATOM 335 CA THR A 32 11.501 2.839 -12.491 1.00 43.53 C ATOM 336 C THR A 32 10.454 2.005 -13.220 1.00 42.33 C ATOM 337 O THR A 32 9.976 0.997 -12.700 1.00 2.34 O ATOM 338 CB THR A 32 12.896 2.246 -12.766 1.00 40.21 C ATOM 339 OG1 THR A 32 13.683 2.270 -11.570 1.00 33.52 O ATOM 340 CG2 THR A 32 13.608 3.024 -13.863 1.00 23.43 C ATOM 0 H THR A 32 10.631 2.146 -10.715 1.00 43.52 H new ATOM 0 HA THR A 32 11.470 3.863 -12.864 1.00 43.53 H new ATOM 0 HB THR A 32 12.770 1.215 -13.097 1.00 40.21 H new ATOM 0 HG1 THR A 32 14.568 1.890 -11.753 1.00 33.52 H new ATOM 0 HG21 THR A 32 14.591 2.587 -14.040 1.00 23.43 H new ATOM 0 HG22 THR A 32 13.021 2.980 -14.780 1.00 23.43 H new ATOM 0 HG23 THR A 32 13.723 4.063 -13.556 1.00 23.43 H new ATOM 348 N VAL A 33 10.101 2.431 -14.429 1.00 45.41 N ATOM 349 CA VAL A 33 9.112 1.722 -15.231 1.00 14.21 C ATOM 350 C VAL A 33 9.651 0.378 -15.707 1.00 32.12 C ATOM 351 O VAL A 33 8.980 -0.647 -15.595 1.00 15.13 O ATOM 352 CB VAL A 33 8.681 2.553 -16.455 1.00 22.44 C ATOM 353 CG1 VAL A 33 7.576 1.842 -17.221 1.00 22.42 C ATOM 354 CG2 VAL A 33 8.234 3.942 -16.025 1.00 25.22 C ATOM 0 H VAL A 33 10.486 3.264 -14.874 1.00 45.41 H new ATOM 0 HA VAL A 33 8.246 1.556 -14.591 1.00 14.21 H new ATOM 0 HB VAL A 33 9.539 2.661 -17.119 1.00 22.44 H new ATOM 0 HG11 VAL A 33 7.285 2.444 -18.082 1.00 22.42 H new ATOM 0 HG12 VAL A 33 7.936 0.871 -17.562 1.00 22.42 H new ATOM 0 HG13 VAL A 33 6.714 1.701 -16.569 1.00 22.42 H new ATOM 0 HG21 VAL A 33 7.933 4.515 -16.902 1.00 25.22 H new ATOM 0 HG22 VAL A 33 7.390 3.857 -15.340 1.00 25.22 H new ATOM 0 HG23 VAL A 33 9.058 4.451 -15.524 1.00 25.22 H new ATOM 364 N GLY A 34 10.869 0.390 -16.239 1.00 23.10 N ATOM 365 CA GLY A 34 11.479 -0.835 -16.724 1.00 51.50 C ATOM 366 C GLY A 34 11.713 -1.843 -15.617 1.00 65.43 C ATOM 367 O GLY A 34 11.635 -3.051 -15.842 1.00 13.31 O ATOM 0 H GLY A 34 11.445 1.226 -16.343 1.00 23.10 H new ATOM 0 HA2 GLY A 34 10.839 -1.279 -17.486 1.00 51.50 H new ATOM 0 HA3 GLY A 34 12.429 -0.599 -17.203 1.00 51.50 H new ATOM 371 N ALA A 35 12.004 -1.348 -14.419 1.00 2.21 N ATOM 372 CA ALA A 35 12.251 -2.214 -13.273 1.00 72.52 C ATOM 373 C ALA A 35 10.991 -2.981 -12.883 1.00 44.14 C ATOM 374 O ALA A 35 11.038 -4.186 -12.634 1.00 11.52 O ATOM 375 CB ALA A 35 12.761 -1.399 -12.094 1.00 54.33 C ATOM 0 H ALA A 35 12.075 -0.351 -14.217 1.00 2.21 H new ATOM 0 HA ALA A 35 13.014 -2.939 -13.555 1.00 72.52 H new ATOM 0 HB1 ALA A 35 12.941 -2.059 -11.246 1.00 54.33 H new ATOM 0 HB2 ALA A 35 13.691 -0.902 -12.370 1.00 54.33 H new ATOM 0 HB3 ALA A 35 12.017 -0.651 -11.820 1.00 54.33 H new ATOM 381 N VAL A 36 9.866 -2.275 -12.832 1.00 44.34 N ATOM 382 CA VAL A 36 8.594 -2.889 -12.473 1.00 52.12 C ATOM 383 C VAL A 36 8.135 -3.870 -13.546 1.00 22.52 C ATOM 384 O VAL A 36 7.716 -4.987 -13.241 1.00 73.13 O ATOM 385 CB VAL A 36 7.498 -1.827 -12.262 1.00 60.40 C ATOM 386 CG1 VAL A 36 6.176 -2.488 -11.903 1.00 71.54 C ATOM 387 CG2 VAL A 36 7.917 -0.836 -11.187 1.00 20.44 C ATOM 0 H VAL A 36 9.810 -1.277 -13.035 1.00 44.34 H new ATOM 0 HA VAL A 36 8.755 -3.426 -11.538 1.00 52.12 H new ATOM 0 HB VAL A 36 7.362 -1.280 -13.195 1.00 60.40 H new ATOM 0 HG11 VAL A 36 5.414 -1.722 -11.758 1.00 71.54 H new ATOM 0 HG12 VAL A 36 5.872 -3.155 -12.710 1.00 71.54 H new ATOM 0 HG13 VAL A 36 6.294 -3.062 -10.984 1.00 71.54 H new ATOM 0 HG21 VAL A 36 7.131 -0.093 -11.051 1.00 20.44 H new ATOM 0 HG22 VAL A 36 8.082 -1.365 -10.249 1.00 20.44 H new ATOM 0 HG23 VAL A 36 8.838 -0.338 -11.490 1.00 20.44 H new ATOM 397 N ARG A 37 8.219 -3.447 -14.803 1.00 14.44 N ATOM 398 CA ARG A 37 7.811 -4.288 -15.921 1.00 64.13 C ATOM 399 C ARG A 37 8.643 -5.567 -15.971 1.00 11.42 C ATOM 400 O ARG A 37 8.115 -6.656 -16.196 1.00 74.01 O ATOM 401 CB ARG A 37 7.952 -3.524 -17.239 1.00 60.33 C ATOM 402 CG ARG A 37 7.529 -4.329 -18.458 1.00 11.34 C ATOM 403 CD ARG A 37 7.248 -3.428 -19.650 1.00 41.30 C ATOM 404 NE ARG A 37 8.298 -2.431 -19.842 1.00 10.31 N ATOM 405 CZ ARG A 37 9.519 -2.724 -20.274 1.00 44.42 C ATOM 406 NH1 ARG A 37 9.843 -3.978 -20.558 1.00 53.45 N ATOM 407 NH2 ARG A 37 10.420 -1.761 -20.424 1.00 2.25 N ATOM 0 H ARG A 37 8.566 -2.526 -15.072 1.00 14.44 H new ATOM 0 HA ARG A 37 6.765 -4.560 -15.776 1.00 64.13 H new ATOM 0 HB2 ARG A 37 7.352 -2.615 -17.188 1.00 60.33 H new ATOM 0 HB3 ARG A 37 8.990 -3.215 -17.361 1.00 60.33 H new ATOM 0 HG2 ARG A 37 8.313 -5.041 -18.715 1.00 11.34 H new ATOM 0 HG3 ARG A 37 6.637 -4.909 -18.221 1.00 11.34 H new ATOM 0 HD2 ARG A 37 7.156 -4.036 -20.550 1.00 41.30 H new ATOM 0 HD3 ARG A 37 6.292 -2.925 -19.506 1.00 41.30 H new ATOM 0 HE ARG A 37 8.082 -1.456 -19.633 1.00 10.31 H new ATOM 0 HH11 ARG A 37 9.153 -4.721 -20.445 1.00 53.45 H new ATOM 0 HH12 ARG A 37 10.782 -4.200 -20.890 1.00 53.45 H new ATOM 0 HH21 ARG A 37 10.175 -0.795 -20.207 1.00 2.25 H new ATOM 0 HH22 ARG A 37 11.358 -1.987 -20.756 1.00 2.25 H new ATOM 421 N THR A 38 9.948 -5.426 -15.759 1.00 71.32 N ATOM 422 CA THR A 38 10.853 -6.569 -15.781 1.00 52.52 C ATOM 423 C THR A 38 10.584 -7.505 -14.609 1.00 63.41 C ATOM 424 O THR A 38 10.632 -8.727 -14.754 1.00 31.24 O ATOM 425 CB THR A 38 12.326 -6.119 -15.738 1.00 34.42 C ATOM 426 OG1 THR A 38 12.613 -5.272 -16.856 1.00 15.02 O ATOM 427 CG2 THR A 38 13.258 -7.321 -15.753 1.00 45.11 C ATOM 0 H THR A 38 10.402 -4.532 -15.570 1.00 71.32 H new ATOM 0 HA THR A 38 10.670 -7.100 -16.715 1.00 52.52 H new ATOM 0 HB THR A 38 12.487 -5.565 -14.813 1.00 34.42 H new ATOM 0 HG1 THR A 38 12.132 -4.424 -16.756 1.00 15.02 H new ATOM 0 HG21 THR A 38 14.293 -6.980 -15.722 1.00 45.11 H new ATOM 0 HG22 THR A 38 13.057 -7.948 -14.885 1.00 45.11 H new ATOM 0 HG23 THR A 38 13.093 -7.898 -16.663 1.00 45.11 H new ATOM 435 N LYS A 39 10.301 -6.926 -13.447 1.00 43.14 N ATOM 436 CA LYS A 39 10.023 -7.709 -12.249 1.00 52.31 C ATOM 437 C LYS A 39 8.771 -8.561 -12.435 1.00 25.02 C ATOM 438 O LYS A 39 8.744 -9.732 -12.056 1.00 62.22 O ATOM 439 CB LYS A 39 9.849 -6.786 -11.041 1.00 3.51 C ATOM 440 CG LYS A 39 9.385 -7.506 -9.787 1.00 12.21 C ATOM 441 CD LYS A 39 10.399 -8.542 -9.331 1.00 12.51 C ATOM 442 CE LYS A 39 11.696 -7.890 -8.878 1.00 44.33 C ATOM 443 NZ LYS A 39 12.219 -8.505 -7.627 1.00 65.33 N ATOM 0 H LYS A 39 10.258 -5.916 -13.310 1.00 43.14 H new ATOM 0 HA LYS A 39 10.870 -8.372 -12.073 1.00 52.31 H new ATOM 0 HB2 LYS A 39 10.797 -6.289 -10.835 1.00 3.51 H new ATOM 0 HB3 LYS A 39 9.128 -6.007 -11.290 1.00 3.51 H new ATOM 0 HG2 LYS A 39 9.221 -6.781 -8.990 1.00 12.21 H new ATOM 0 HG3 LYS A 39 8.428 -7.992 -9.978 1.00 12.21 H new ATOM 0 HD2 LYS A 39 9.980 -9.128 -8.513 1.00 12.51 H new ATOM 0 HD3 LYS A 39 10.604 -9.235 -10.147 1.00 12.51 H new ATOM 0 HE2 LYS A 39 12.443 -7.981 -9.667 1.00 44.33 H new ATOM 0 HE3 LYS A 39 11.530 -6.825 -8.717 1.00 44.33 H new ATOM 0 HZ1 LYS A 39 13.104 -8.033 -7.352 1.00 65.33 H new ATOM 0 HZ2 LYS A 39 11.517 -8.396 -6.867 1.00 65.33 H new ATOM 0 HZ3 LYS A 39 12.402 -9.516 -7.787 1.00 65.33 H new ATOM 457 N VAL A 40 7.737 -7.966 -13.021 1.00 63.31 N ATOM 458 CA VAL A 40 6.484 -8.672 -13.259 1.00 51.04 C ATOM 459 C VAL A 40 6.658 -9.762 -14.311 1.00 42.33 C ATOM 460 O VAL A 40 6.196 -10.890 -14.134 1.00 4.43 O ATOM 461 CB VAL A 40 5.374 -7.706 -13.715 1.00 60.34 C ATOM 462 CG1 VAL A 40 4.104 -8.473 -14.051 1.00 13.23 C ATOM 463 CG2 VAL A 40 5.108 -6.658 -12.646 1.00 34.25 C ATOM 0 H VAL A 40 7.742 -6.997 -13.340 1.00 63.31 H new ATOM 0 HA VAL A 40 6.193 -9.128 -12.313 1.00 51.04 H new ATOM 0 HB VAL A 40 5.709 -7.194 -14.617 1.00 60.34 H new ATOM 0 HG11 VAL A 40 3.331 -7.774 -14.371 1.00 13.23 H new ATOM 0 HG12 VAL A 40 4.308 -9.181 -14.854 1.00 13.23 H new ATOM 0 HG13 VAL A 40 3.761 -9.014 -13.169 1.00 13.23 H new ATOM 0 HG21 VAL A 40 4.321 -5.984 -12.985 1.00 34.25 H new ATOM 0 HG22 VAL A 40 4.793 -7.149 -11.725 1.00 34.25 H new ATOM 0 HG23 VAL A 40 6.019 -6.088 -12.460 1.00 34.25 H new ATOM 473 N CYS A 41 7.327 -9.418 -15.406 1.00 2.30 N ATOM 474 CA CYS A 41 7.563 -10.367 -16.488 1.00 72.00 C ATOM 475 C CYS A 41 8.311 -11.595 -15.980 1.00 61.34 C ATOM 476 O CYS A 41 7.975 -12.727 -16.328 1.00 52.21 O ATOM 477 CB CYS A 41 8.355 -9.702 -17.615 1.00 12.24 C ATOM 478 SG CYS A 41 7.703 -10.030 -19.269 1.00 15.42 S ATOM 0 H CYS A 41 7.716 -8.489 -15.568 1.00 2.30 H new ATOM 0 HA CYS A 41 6.595 -10.687 -16.875 1.00 72.00 H new ATOM 0 HB2 CYS A 41 8.368 -8.625 -17.449 1.00 12.24 H new ATOM 0 HB3 CYS A 41 9.389 -10.045 -17.569 1.00 12.24 H new ATOM 0 HG CYS A 41 8.667 -10.428 -20.045 1.00 15.42 H new ATOM 484 N ALA A 42 9.328 -11.364 -15.157 1.00 45.43 N ATOM 485 CA ALA A 42 10.124 -12.451 -14.602 1.00 4.04 C ATOM 486 C ALA A 42 9.296 -13.306 -13.649 1.00 21.31 C ATOM 487 O ALA A 42 9.337 -14.535 -13.708 1.00 54.24 O ATOM 488 CB ALA A 42 11.349 -11.897 -13.888 1.00 71.51 C ATOM 0 H ALA A 42 9.620 -10.433 -14.860 1.00 45.43 H new ATOM 0 HA ALA A 42 10.453 -13.085 -15.425 1.00 4.04 H new ATOM 0 HB1 ALA A 42 11.935 -12.720 -13.478 1.00 71.51 H new ATOM 0 HB2 ALA A 42 11.959 -11.335 -14.595 1.00 71.51 H new ATOM 0 HB3 ALA A 42 11.032 -11.239 -13.079 1.00 71.51 H new ATOM 494 N MET A 43 8.546 -12.648 -12.771 1.00 23.54 N ATOM 495 CA MET A 43 7.708 -13.350 -11.805 1.00 51.13 C ATOM 496 C MET A 43 6.692 -14.240 -12.513 1.00 74.14 C ATOM 497 O MET A 43 6.271 -15.266 -11.979 1.00 33.31 O ATOM 498 CB MET A 43 6.985 -12.348 -10.903 1.00 33.21 C ATOM 499 CG MET A 43 7.602 -12.220 -9.520 1.00 21.42 C ATOM 500 SD MET A 43 6.815 -13.296 -8.305 1.00 54.35 S ATOM 501 CE MET A 43 7.949 -14.682 -8.295 1.00 11.24 C ATOM 0 H MET A 43 8.501 -11.631 -12.708 1.00 23.54 H new ATOM 0 HA MET A 43 8.352 -13.981 -11.192 1.00 51.13 H new ATOM 0 HB2 MET A 43 6.987 -11.370 -11.385 1.00 33.21 H new ATOM 0 HB3 MET A 43 5.943 -12.650 -10.800 1.00 33.21 H new ATOM 0 HG2 MET A 43 8.664 -12.459 -9.577 1.00 21.42 H new ATOM 0 HG3 MET A 43 7.525 -11.185 -9.187 1.00 21.42 H new ATOM 0 HE1 MET A 43 7.668 -15.376 -7.503 1.00 11.24 H new ATOM 0 HE2 MET A 43 7.908 -15.193 -9.257 1.00 11.24 H new ATOM 0 HE3 MET A 43 8.962 -14.322 -8.119 1.00 11.24 H new ATOM 511 N LYS A 44 6.301 -13.841 -13.719 1.00 15.12 N ATOM 512 CA LYS A 44 5.334 -14.602 -14.501 1.00 62.44 C ATOM 513 C LYS A 44 6.040 -15.502 -15.511 1.00 32.21 C ATOM 514 O LYS A 44 5.415 -16.356 -16.141 1.00 11.13 O ATOM 515 CB LYS A 44 4.376 -13.656 -15.228 1.00 43.31 C ATOM 516 CG LYS A 44 3.282 -14.372 -16.000 1.00 32.32 C ATOM 517 CD LYS A 44 1.902 -13.870 -15.607 1.00 64.32 C ATOM 518 CE LYS A 44 1.561 -14.243 -14.173 1.00 31.33 C ATOM 519 NZ LYS A 44 0.349 -15.105 -14.097 1.00 53.12 N ATOM 0 H LYS A 44 6.639 -12.994 -14.176 1.00 15.12 H new ATOM 0 HA LYS A 44 4.764 -15.230 -13.816 1.00 62.44 H new ATOM 0 HB2 LYS A 44 3.917 -12.987 -14.500 1.00 43.31 H new ATOM 0 HB3 LYS A 44 4.947 -13.033 -15.917 1.00 43.31 H new ATOM 0 HG2 LYS A 44 3.433 -14.224 -17.069 1.00 32.32 H new ATOM 0 HG3 LYS A 44 3.347 -15.444 -15.815 1.00 32.32 H new ATOM 0 HD2 LYS A 44 1.861 -12.787 -15.722 1.00 64.32 H new ATOM 0 HD3 LYS A 44 1.155 -14.290 -16.281 1.00 64.32 H new ATOM 0 HE2 LYS A 44 2.406 -14.764 -13.723 1.00 31.33 H new ATOM 0 HE3 LYS A 44 1.399 -13.336 -13.591 1.00 31.33 H new ATOM 0 HZ1 LYS A 44 0.150 -15.337 -13.103 1.00 53.12 H new ATOM 0 HZ2 LYS A 44 -0.463 -14.599 -14.504 1.00 53.12 H new ATOM 0 HZ3 LYS A 44 0.513 -15.982 -14.631 1.00 53.12 H new ATOM 533 N LYS A 45 7.346 -15.307 -15.660 1.00 14.35 N ATOM 534 CA LYS A 45 8.138 -16.102 -16.590 1.00 52.22 C ATOM 535 C LYS A 45 7.677 -15.877 -18.027 1.00 1.01 C ATOM 536 O LYS A 45 7.335 -16.825 -18.735 1.00 52.34 O ATOM 537 CB LYS A 45 8.037 -17.588 -16.238 1.00 10.43 C ATOM 538 CG LYS A 45 9.106 -18.443 -16.896 1.00 1.34 C ATOM 539 CD LYS A 45 10.484 -18.146 -16.328 1.00 63.43 C ATOM 540 CE LYS A 45 10.576 -18.527 -14.859 1.00 33.25 C ATOM 541 NZ LYS A 45 11.733 -19.425 -14.589 1.00 73.11 N ATOM 0 H LYS A 45 7.879 -14.604 -15.148 1.00 14.35 H new ATOM 0 HA LYS A 45 9.177 -15.785 -16.506 1.00 52.22 H new ATOM 0 HB2 LYS A 45 8.107 -17.702 -15.156 1.00 10.43 H new ATOM 0 HB3 LYS A 45 7.055 -17.957 -16.534 1.00 10.43 H new ATOM 0 HG2 LYS A 45 8.871 -19.497 -16.751 1.00 1.34 H new ATOM 0 HG3 LYS A 45 9.108 -18.262 -17.971 1.00 1.34 H new ATOM 0 HD2 LYS A 45 11.238 -18.693 -16.895 1.00 63.43 H new ATOM 0 HD3 LYS A 45 10.706 -17.085 -16.444 1.00 63.43 H new ATOM 0 HE2 LYS A 45 10.669 -17.624 -14.255 1.00 33.25 H new ATOM 0 HE3 LYS A 45 9.654 -19.022 -14.554 1.00 33.25 H new ATOM 0 HZ1 LYS A 45 11.760 -19.661 -13.577 1.00 73.11 H new ATOM 0 HZ2 LYS A 45 11.632 -20.298 -15.146 1.00 73.11 H new ATOM 0 HZ3 LYS A 45 12.616 -18.944 -14.856 1.00 73.11 H new ATOM 555 N LEU A 46 7.672 -14.618 -18.451 1.00 71.24 N ATOM 556 CA LEU A 46 7.255 -14.269 -19.805 1.00 33.00 C ATOM 557 C LEU A 46 8.389 -13.591 -20.567 1.00 1.14 C ATOM 558 O LEU A 46 9.354 -13.097 -19.982 1.00 72.23 O ATOM 559 CB LEU A 46 6.033 -13.350 -19.762 1.00 11.40 C ATOM 560 CG LEU A 46 4.687 -14.007 -20.068 1.00 32.55 C ATOM 561 CD1 LEU A 46 4.482 -15.236 -19.194 1.00 45.34 C ATOM 562 CD2 LEU A 46 3.551 -13.015 -19.869 1.00 13.30 C ATOM 0 H LEU A 46 7.952 -13.822 -17.877 1.00 71.24 H new ATOM 0 HA LEU A 46 6.992 -15.189 -20.326 1.00 33.00 H new ATOM 0 HB2 LEU A 46 5.977 -12.899 -18.771 1.00 11.40 H new ATOM 0 HB3 LEU A 46 6.188 -12.539 -20.473 1.00 11.40 H new ATOM 0 HG LEU A 46 4.688 -14.323 -21.111 1.00 32.55 H new ATOM 0 HD11 LEU A 46 3.519 -15.691 -19.426 1.00 45.34 H new ATOM 0 HD12 LEU A 46 5.278 -15.955 -19.385 1.00 45.34 H new ATOM 0 HD13 LEU A 46 4.502 -14.943 -18.144 1.00 45.34 H new ATOM 0 HD21 LEU A 46 2.601 -13.501 -20.091 1.00 13.30 H new ATOM 0 HD22 LEU A 46 3.548 -12.668 -18.836 1.00 13.30 H new ATOM 0 HD23 LEU A 46 3.689 -12.165 -20.537 1.00 13.30 H new ATOM 574 N PRO A 47 8.272 -13.563 -21.902 1.00 73.34 N ATOM 575 CA PRO A 47 9.277 -12.946 -22.773 1.00 12.22 C ATOM 576 C PRO A 47 9.299 -11.426 -22.645 1.00 61.54 C ATOM 577 O PRO A 47 8.357 -10.733 -23.030 1.00 63.25 O ATOM 578 CB PRO A 47 8.831 -13.358 -24.178 1.00 33.12 C ATOM 579 CG PRO A 47 7.366 -13.598 -24.055 1.00 34.31 C ATOM 580 CD PRO A 47 7.149 -14.132 -22.666 1.00 74.41 C ATOM 0 HA PRO A 47 10.288 -13.268 -22.521 1.00 12.22 H new ATOM 0 HB2 PRO A 47 9.044 -12.576 -24.906 1.00 33.12 H new ATOM 0 HB3 PRO A 47 9.353 -14.255 -24.512 1.00 33.12 H new ATOM 0 HG2 PRO A 47 6.805 -12.676 -24.211 1.00 34.31 H new ATOM 0 HG3 PRO A 47 7.023 -14.311 -24.805 1.00 34.31 H new ATOM 0 HD2 PRO A 47 6.187 -13.818 -22.261 1.00 74.41 H new ATOM 0 HD3 PRO A 47 7.162 -15.222 -22.648 1.00 74.41 H new ATOM 588 N PRO A 48 10.399 -10.894 -22.093 1.00 22.24 N ATOM 589 CA PRO A 48 10.571 -9.451 -21.903 1.00 13.22 C ATOM 590 C PRO A 48 10.757 -8.711 -23.223 1.00 11.41 C ATOM 591 O PRO A 48 10.445 -7.524 -23.330 1.00 21.42 O ATOM 592 CB PRO A 48 11.839 -9.353 -21.052 1.00 21.25 C ATOM 593 CG PRO A 48 12.596 -10.600 -21.355 1.00 33.23 C ATOM 594 CD PRO A 48 11.561 -11.661 -21.611 1.00 13.41 C ATOM 0 HA PRO A 48 9.696 -8.994 -21.442 1.00 13.22 H new ATOM 0 HB2 PRO A 48 12.419 -8.466 -21.307 1.00 21.25 H new ATOM 0 HB3 PRO A 48 11.599 -9.283 -19.991 1.00 21.25 H new ATOM 0 HG2 PRO A 48 13.239 -10.464 -22.224 1.00 33.23 H new ATOM 0 HG3 PRO A 48 13.241 -10.877 -20.521 1.00 33.23 H new ATOM 0 HD2 PRO A 48 11.901 -12.384 -22.353 1.00 13.41 H new ATOM 0 HD3 PRO A 48 11.326 -12.220 -20.705 1.00 13.41 H new ATOM 602 N ASP A 49 11.266 -9.418 -24.226 1.00 2.25 N ATOM 603 CA ASP A 49 11.492 -8.828 -25.540 1.00 4.21 C ATOM 604 C ASP A 49 10.191 -8.285 -26.123 1.00 4.00 C ATOM 605 O ASP A 49 10.166 -7.205 -26.715 1.00 30.23 O ATOM 606 CB ASP A 49 12.099 -9.862 -26.489 1.00 72.33 C ATOM 607 CG ASP A 49 13.594 -10.021 -26.294 1.00 51.45 C ATOM 608 OD1 ASP A 49 14.111 -9.549 -25.260 1.00 20.12 O ATOM 609 OD2 ASP A 49 14.247 -10.617 -27.176 1.00 51.42 O ATOM 0 H ASP A 49 11.530 -10.401 -24.154 1.00 2.25 H new ATOM 0 HA ASP A 49 12.190 -7.999 -25.424 1.00 4.21 H new ATOM 0 HB2 ASP A 49 11.611 -10.824 -26.333 1.00 72.33 H new ATOM 0 HB3 ASP A 49 11.899 -9.567 -27.519 1.00 72.33 H new ATOM 614 N THR A 50 9.111 -9.041 -25.953 1.00 64.52 N ATOM 615 CA THR A 50 7.808 -8.638 -26.464 1.00 54.12 C ATOM 616 C THR A 50 6.827 -8.381 -25.326 1.00 54.51 C ATOM 617 O THR A 50 5.867 -9.129 -25.138 1.00 55.42 O ATOM 618 CB THR A 50 7.217 -9.706 -27.404 1.00 22.32 C ATOM 619 OG1 THR A 50 7.516 -11.015 -26.906 1.00 71.31 O ATOM 620 CG2 THR A 50 7.772 -9.555 -28.812 1.00 4.30 C ATOM 0 H THR A 50 9.114 -9.937 -25.465 1.00 64.52 H new ATOM 0 HA THR A 50 7.961 -7.716 -27.025 1.00 54.12 H new ATOM 0 HB THR A 50 6.136 -9.569 -27.440 1.00 22.32 H new ATOM 0 HG1 THR A 50 6.743 -11.601 -27.042 1.00 71.31 H new ATOM 0 HG21 THR A 50 7.340 -10.320 -29.457 1.00 4.30 H new ATOM 0 HG22 THR A 50 7.518 -8.568 -29.199 1.00 4.30 H new ATOM 0 HG23 THR A 50 8.856 -9.669 -28.790 1.00 4.30 H new ATOM 628 N THR A 51 7.073 -7.317 -24.568 1.00 11.42 N ATOM 629 CA THR A 51 6.211 -6.961 -23.447 1.00 45.44 C ATOM 630 C THR A 51 6.036 -5.450 -23.347 1.00 52.34 C ATOM 631 O THR A 51 6.959 -4.688 -23.635 1.00 0.44 O ATOM 632 CB THR A 51 6.775 -7.490 -22.115 1.00 41.22 C ATOM 633 OG1 THR A 51 5.789 -7.369 -21.084 1.00 22.03 O ATOM 634 CG2 THR A 51 8.029 -6.727 -21.717 1.00 2.51 C ATOM 0 H THR A 51 7.862 -6.687 -24.710 1.00 11.42 H new ATOM 0 HA THR A 51 5.242 -7.425 -23.633 1.00 45.44 H new ATOM 0 HB THR A 51 7.035 -8.540 -22.247 1.00 41.22 H new ATOM 0 HG1 THR A 51 4.894 -7.407 -21.481 1.00 22.03 H new ATOM 0 HG21 THR A 51 8.409 -7.118 -20.773 1.00 2.51 H new ATOM 0 HG22 THR A 51 8.788 -6.845 -22.491 1.00 2.51 H new ATOM 0 HG23 THR A 51 7.790 -5.670 -21.601 1.00 2.51 H new ATOM 642 N ARG A 52 4.846 -5.023 -22.938 1.00 13.12 N ATOM 643 CA ARG A 52 4.549 -3.602 -22.800 1.00 64.04 C ATOM 644 C ARG A 52 3.719 -3.339 -21.548 1.00 13.51 C ATOM 645 O ARG A 52 3.152 -4.261 -20.960 1.00 43.01 O ATOM 646 CB ARG A 52 3.804 -3.093 -24.036 1.00 5.22 C ATOM 647 CG ARG A 52 4.720 -2.737 -25.195 1.00 42.44 C ATOM 648 CD ARG A 52 4.994 -3.943 -26.080 1.00 51.20 C ATOM 649 NE ARG A 52 4.340 -3.827 -27.381 1.00 32.44 N ATOM 650 CZ ARG A 52 4.734 -2.986 -28.330 1.00 3.34 C ATOM 651 NH1 ARG A 52 5.775 -2.190 -28.124 1.00 70.30 N ATOM 652 NH2 ARG A 52 4.088 -2.939 -29.487 1.00 53.13 N ATOM 0 H ARG A 52 4.071 -5.641 -22.696 1.00 13.12 H new ATOM 0 HA ARG A 52 5.494 -3.066 -22.707 1.00 64.04 H new ATOM 0 HB2 ARG A 52 3.097 -3.855 -24.363 1.00 5.22 H new ATOM 0 HB3 ARG A 52 3.220 -2.214 -23.762 1.00 5.22 H new ATOM 0 HG2 ARG A 52 4.265 -1.944 -25.789 1.00 42.44 H new ATOM 0 HG3 ARG A 52 5.662 -2.346 -24.809 1.00 42.44 H new ATOM 0 HD2 ARG A 52 6.069 -4.051 -26.223 1.00 51.20 H new ATOM 0 HD3 ARG A 52 4.647 -4.847 -25.579 1.00 51.20 H new ATOM 0 HE ARG A 52 3.536 -4.425 -27.571 1.00 32.44 H new ATOM 0 HH11 ARG A 52 6.274 -2.223 -27.235 1.00 70.30 H new ATOM 0 HH12 ARG A 52 6.076 -1.545 -28.854 1.00 70.30 H new ATOM 0 HH21 ARG A 52 3.287 -3.549 -29.649 1.00 53.13 H new ATOM 0 HH22 ARG A 52 4.392 -2.292 -30.215 1.00 53.13 H new ATOM 666 N LEU A 53 3.651 -2.075 -21.144 1.00 50.34 N ATOM 667 CA LEU A 53 2.890 -1.689 -19.961 1.00 71.11 C ATOM 668 C LEU A 53 2.084 -0.421 -20.222 1.00 11.45 C ATOM 669 O LEU A 53 2.593 0.547 -20.788 1.00 62.14 O ATOM 670 CB LEU A 53 3.830 -1.475 -18.773 1.00 51.24 C ATOM 671 CG LEU A 53 3.249 -0.703 -17.588 1.00 50.34 C ATOM 672 CD1 LEU A 53 1.958 -1.350 -17.111 1.00 25.05 C ATOM 673 CD2 LEU A 53 4.261 -0.626 -16.454 1.00 52.44 C ATOM 0 H LEU A 53 4.114 -1.300 -21.619 1.00 50.34 H new ATOM 0 HA LEU A 53 2.196 -2.496 -19.726 1.00 71.11 H new ATOM 0 HB2 LEU A 53 4.162 -2.451 -18.418 1.00 51.24 H new ATOM 0 HB3 LEU A 53 4.715 -0.946 -19.126 1.00 51.24 H new ATOM 0 HG LEU A 53 3.023 0.312 -17.915 1.00 50.34 H new ATOM 0 HD11 LEU A 53 1.559 -0.787 -16.267 1.00 25.05 H new ATOM 0 HD12 LEU A 53 1.230 -1.352 -17.923 1.00 25.05 H new ATOM 0 HD13 LEU A 53 2.158 -2.376 -16.801 1.00 25.05 H new ATOM 0 HD21 LEU A 53 3.831 -0.073 -15.619 1.00 52.44 H new ATOM 0 HD22 LEU A 53 4.519 -1.633 -16.128 1.00 52.44 H new ATOM 0 HD23 LEU A 53 5.159 -0.116 -16.802 1.00 52.44 H new ATOM 685 N THR A 54 0.822 -0.430 -19.802 1.00 24.42 N ATOM 686 CA THR A 54 -0.054 0.719 -19.988 1.00 71.14 C ATOM 687 C THR A 54 -0.695 1.141 -18.671 1.00 50.23 C ATOM 688 O THR A 54 -1.393 0.356 -18.030 1.00 34.13 O ATOM 689 CB THR A 54 -1.164 0.418 -21.013 1.00 51.42 C ATOM 690 OG1 THR A 54 -1.002 -0.904 -21.538 1.00 23.24 O ATOM 691 CG2 THR A 54 -1.137 1.427 -22.151 1.00 54.43 C ATOM 0 H THR A 54 0.384 -1.222 -19.330 1.00 24.42 H new ATOM 0 HA THR A 54 0.567 1.533 -20.363 1.00 71.14 H new ATOM 0 HB THR A 54 -2.126 0.491 -20.505 1.00 51.42 H new ATOM 0 HG1 THR A 54 -1.793 -1.441 -21.322 1.00 23.24 H new ATOM 0 HG21 THR A 54 -1.929 1.194 -22.862 1.00 54.43 H new ATOM 0 HG22 THR A 54 -1.290 2.430 -21.752 1.00 54.43 H new ATOM 0 HG23 THR A 54 -0.172 1.381 -22.655 1.00 54.43 H new ATOM 699 N TYR A 55 -0.454 2.385 -18.274 1.00 10.52 N ATOM 700 CA TYR A 55 -1.007 2.911 -17.031 1.00 42.53 C ATOM 701 C TYR A 55 -1.824 4.174 -17.290 1.00 23.21 C ATOM 702 O TYR A 55 -1.346 5.120 -17.917 1.00 73.41 O ATOM 703 CB TYR A 55 0.115 3.212 -16.036 1.00 63.22 C ATOM 704 CG TYR A 55 -0.349 3.960 -14.807 1.00 74.02 C ATOM 705 CD1 TYR A 55 -1.375 3.462 -14.013 1.00 61.40 C ATOM 706 CD2 TYR A 55 0.236 5.165 -14.441 1.00 0.53 C ATOM 707 CE1 TYR A 55 -1.803 4.142 -12.890 1.00 34.14 C ATOM 708 CE2 TYR A 55 -0.185 5.852 -13.318 1.00 60.13 C ATOM 709 CZ TYR A 55 -1.205 5.336 -12.546 1.00 51.31 C ATOM 710 OH TYR A 55 -1.628 6.018 -11.428 1.00 73.31 O ATOM 0 H TYR A 55 0.120 3.048 -18.794 1.00 10.52 H new ATOM 0 HA TYR A 55 -1.666 2.153 -16.607 1.00 42.53 H new ATOM 0 HB2 TYR A 55 0.576 2.274 -15.727 1.00 63.22 H new ATOM 0 HB3 TYR A 55 0.886 3.797 -16.537 1.00 63.22 H new ATOM 0 HD1 TYR A 55 -1.846 2.527 -14.279 1.00 61.40 H new ATOM 0 HD2 TYR A 55 1.034 5.572 -15.044 1.00 0.53 H new ATOM 0 HE1 TYR A 55 -2.602 3.741 -12.284 1.00 34.14 H new ATOM 0 HE2 TYR A 55 0.282 6.787 -13.047 1.00 60.13 H new ATOM 0 HH TYR A 55 -1.799 6.954 -11.661 1.00 73.31 H new ATOM 720 N LYS A 56 -3.059 4.181 -16.801 1.00 52.31 N ATOM 721 CA LYS A 56 -3.945 5.326 -16.976 1.00 3.52 C ATOM 722 C LYS A 56 -4.091 5.681 -18.452 1.00 60.12 C ATOM 723 O LYS A 56 -4.234 6.850 -18.809 1.00 30.43 O ATOM 724 CB LYS A 56 -3.410 6.533 -16.201 1.00 54.32 C ATOM 725 CG LYS A 56 -4.500 7.461 -15.693 1.00 33.00 C ATOM 726 CD LYS A 56 -4.493 7.551 -14.176 1.00 52.42 C ATOM 727 CE LYS A 56 -5.435 6.533 -13.553 1.00 23.44 C ATOM 728 NZ LYS A 56 -6.863 6.897 -13.761 1.00 54.20 N ATOM 0 H LYS A 56 -3.470 3.406 -16.280 1.00 52.31 H new ATOM 0 HA LYS A 56 -4.927 5.057 -16.587 1.00 3.52 H new ATOM 0 HB2 LYS A 56 -2.822 6.179 -15.354 1.00 54.32 H new ATOM 0 HB3 LYS A 56 -2.735 7.097 -16.844 1.00 54.32 H new ATOM 0 HG2 LYS A 56 -4.360 8.455 -16.118 1.00 33.00 H new ATOM 0 HG3 LYS A 56 -5.472 7.103 -16.033 1.00 33.00 H new ATOM 0 HD2 LYS A 56 -3.481 7.387 -13.805 1.00 52.42 H new ATOM 0 HD3 LYS A 56 -4.786 8.555 -13.869 1.00 52.42 H new ATOM 0 HE2 LYS A 56 -5.244 5.550 -13.985 1.00 23.44 H new ATOM 0 HE3 LYS A 56 -5.232 6.457 -12.485 1.00 23.44 H new ATOM 0 HZ1 LYS A 56 -7.458 6.361 -13.097 1.00 54.20 H new ATOM 0 HZ2 LYS A 56 -6.989 7.916 -13.594 1.00 54.20 H new ATOM 0 HZ3 LYS A 56 -7.141 6.669 -14.737 1.00 54.20 H new ATOM 742 N GLY A 57 -4.055 4.663 -19.307 1.00 54.11 N ATOM 743 CA GLY A 57 -4.187 4.888 -20.735 1.00 3.53 C ATOM 744 C GLY A 57 -2.962 5.554 -21.332 1.00 34.34 C ATOM 745 O GLY A 57 -3.004 6.048 -22.458 1.00 42.33 O ATOM 0 H GLY A 57 -3.937 3.687 -19.036 1.00 54.11 H new ATOM 0 HA2 GLY A 57 -4.359 3.935 -21.236 1.00 3.53 H new ATOM 0 HA3 GLY A 57 -5.063 5.509 -20.923 1.00 3.53 H new ATOM 749 N ARG A 58 -1.870 5.568 -20.575 1.00 32.34 N ATOM 750 CA ARG A 58 -0.630 6.180 -21.035 1.00 3.15 C ATOM 751 C ARG A 58 0.527 5.188 -20.957 1.00 45.51 C ATOM 752 O ARG A 58 0.514 4.266 -20.142 1.00 43.52 O ATOM 753 CB ARG A 58 -0.309 7.421 -20.200 1.00 5.23 C ATOM 754 CG ARG A 58 -0.495 8.728 -20.954 1.00 33.51 C ATOM 755 CD ARG A 58 0.805 9.195 -21.589 1.00 72.34 C ATOM 756 NE ARG A 58 1.560 10.079 -20.705 1.00 74.43 N ATOM 757 CZ ARG A 58 1.178 11.314 -20.400 1.00 74.31 C ATOM 758 NH1 ARG A 58 0.056 11.808 -20.905 1.00 34.02 N ATOM 759 NH2 ARG A 58 1.918 12.057 -19.588 1.00 3.01 N ATOM 0 H ARG A 58 -1.819 5.162 -19.640 1.00 32.34 H new ATOM 0 HA ARG A 58 -0.764 6.475 -22.076 1.00 3.15 H new ATOM 0 HB2 ARG A 58 -0.946 7.428 -19.315 1.00 5.23 H new ATOM 0 HB3 ARG A 58 0.721 7.357 -19.850 1.00 5.23 H new ATOM 0 HG2 ARG A 58 -1.253 8.599 -21.727 1.00 33.51 H new ATOM 0 HG3 ARG A 58 -0.863 9.494 -20.271 1.00 33.51 H new ATOM 0 HD2 ARG A 58 1.416 8.329 -21.843 1.00 72.34 H new ATOM 0 HD3 ARG A 58 0.586 9.715 -22.521 1.00 72.34 H new ATOM 0 HE ARG A 58 2.428 9.729 -20.300 1.00 74.43 H new ATOM 0 HH11 ARG A 58 -0.516 11.239 -21.529 1.00 34.02 H new ATOM 0 HH12 ARG A 58 -0.235 12.757 -20.669 1.00 34.02 H new ATOM 0 HH21 ARG A 58 2.781 11.680 -19.197 1.00 3.01 H new ATOM 0 HH22 ARG A 58 1.624 13.005 -19.354 1.00 3.01 H new ATOM 773 N ALA A 59 1.527 5.385 -21.811 1.00 55.02 N ATOM 774 CA ALA A 59 2.692 4.510 -21.839 1.00 34.55 C ATOM 775 C ALA A 59 3.894 5.174 -21.176 1.00 54.54 C ATOM 776 O ALA A 59 4.362 6.221 -21.625 1.00 44.44 O ATOM 777 CB ALA A 59 3.025 4.119 -23.271 1.00 34.32 C ATOM 0 H ALA A 59 1.553 6.143 -22.493 1.00 55.02 H new ATOM 0 HA ALA A 59 2.452 3.609 -21.275 1.00 34.55 H new ATOM 0 HB1 ALA A 59 3.897 3.465 -23.276 1.00 34.32 H new ATOM 0 HB2 ALA A 59 2.177 3.595 -23.712 1.00 34.32 H new ATOM 0 HB3 ALA A 59 3.240 5.016 -23.852 1.00 34.32 H new ATOM 783 N LEU A 60 4.388 4.561 -20.107 1.00 1.32 N ATOM 784 CA LEU A 60 5.536 5.095 -19.382 1.00 22.43 C ATOM 785 C LEU A 60 6.743 4.172 -19.518 1.00 70.32 C ATOM 786 O LEU A 60 6.597 2.964 -19.707 1.00 34.10 O ATOM 787 CB LEU A 60 5.188 5.283 -17.904 1.00 65.10 C ATOM 788 CG LEU A 60 4.115 6.327 -17.595 1.00 4.51 C ATOM 789 CD1 LEU A 60 2.804 5.652 -17.223 1.00 44.23 C ATOM 790 CD2 LEU A 60 4.577 7.252 -16.477 1.00 71.44 C ATOM 0 H LEU A 60 4.012 3.694 -19.723 1.00 1.32 H new ATOM 0 HA LEU A 60 5.790 6.062 -19.815 1.00 22.43 H new ATOM 0 HB2 LEU A 60 4.859 4.324 -17.504 1.00 65.10 H new ATOM 0 HB3 LEU A 60 6.097 5.557 -17.369 1.00 65.10 H new ATOM 0 HG LEU A 60 3.950 6.926 -18.491 1.00 4.51 H new ATOM 0 HD11 LEU A 60 2.052 6.411 -17.006 1.00 44.23 H new ATOM 0 HD12 LEU A 60 2.465 5.033 -18.053 1.00 44.23 H new ATOM 0 HD13 LEU A 60 2.953 5.028 -16.342 1.00 44.23 H new ATOM 0 HD21 LEU A 60 3.801 7.989 -16.270 1.00 71.44 H new ATOM 0 HD22 LEU A 60 4.771 6.667 -15.578 1.00 71.44 H new ATOM 0 HD23 LEU A 60 5.490 7.763 -16.782 1.00 71.44 H new ATOM 802 N LYS A 61 7.936 4.748 -19.420 1.00 21.05 N ATOM 803 CA LYS A 61 9.170 3.978 -19.528 1.00 55.12 C ATOM 804 C LYS A 61 10.345 4.747 -18.934 1.00 1.12 C ATOM 805 O LYS A 61 10.813 4.435 -17.839 1.00 10.14 O ATOM 806 CB LYS A 61 9.456 3.639 -20.993 1.00 2.51 C ATOM 807 CG LYS A 61 9.301 2.164 -21.318 1.00 32.14 C ATOM 808 CD LYS A 61 9.440 1.903 -22.808 1.00 50.31 C ATOM 809 CE LYS A 61 9.798 0.452 -23.089 1.00 71.02 C ATOM 810 NZ LYS A 61 9.077 -0.076 -24.280 1.00 60.44 N ATOM 0 H LYS A 61 8.075 5.747 -19.266 1.00 21.05 H new ATOM 0 HA LYS A 61 9.043 3.053 -18.965 1.00 55.12 H new ATOM 0 HB2 LYS A 61 8.783 4.215 -21.628 1.00 2.51 H new ATOM 0 HB3 LYS A 61 10.471 3.952 -21.238 1.00 2.51 H new ATOM 0 HG2 LYS A 61 10.053 1.590 -20.776 1.00 32.14 H new ATOM 0 HG3 LYS A 61 8.326 1.816 -20.976 1.00 32.14 H new ATOM 0 HD2 LYS A 61 8.505 2.152 -23.311 1.00 50.31 H new ATOM 0 HD3 LYS A 61 10.209 2.555 -23.222 1.00 50.31 H new ATOM 0 HE2 LYS A 61 10.873 0.367 -23.248 1.00 71.02 H new ATOM 0 HE3 LYS A 61 9.556 -0.157 -22.218 1.00 71.02 H new ATOM 0 HZ1 LYS A 61 9.348 -1.068 -24.438 1.00 60.44 H new ATOM 0 HZ2 LYS A 61 8.051 -0.019 -24.118 1.00 60.44 H new ATOM 0 HZ3 LYS A 61 9.328 0.489 -25.116 1.00 60.44 H new ATOM 824 N ASP A 62 10.817 5.753 -19.662 1.00 14.33 N ATOM 825 CA ASP A 62 11.936 6.569 -19.205 1.00 20.31 C ATOM 826 C ASP A 62 11.492 7.540 -18.116 1.00 52.41 C ATOM 827 O ASP A 62 12.311 8.242 -17.522 1.00 43.11 O ATOM 828 CB ASP A 62 12.545 7.340 -20.377 1.00 15.10 C ATOM 829 CG ASP A 62 14.060 7.337 -20.347 1.00 43.34 C ATOM 830 OD1 ASP A 62 14.662 6.398 -20.907 1.00 64.42 O ATOM 831 OD2 ASP A 62 14.644 8.274 -19.764 1.00 4.44 O ATOM 0 H ASP A 62 10.442 6.023 -20.571 1.00 14.33 H new ATOM 0 HA ASP A 62 12.691 5.904 -18.787 1.00 20.31 H new ATOM 0 HB2 ASP A 62 12.202 6.901 -21.314 1.00 15.10 H new ATOM 0 HB3 ASP A 62 12.186 8.369 -20.357 1.00 15.10 H new ATOM 836 N THR A 63 10.188 7.578 -17.859 1.00 71.40 N ATOM 837 CA THR A 63 9.634 8.465 -16.844 1.00 30.41 C ATOM 838 C THR A 63 10.217 8.158 -15.469 1.00 13.20 C ATOM 839 O THR A 63 10.162 8.989 -14.563 1.00 41.21 O ATOM 840 CB THR A 63 8.099 8.351 -16.775 1.00 64.13 C ATOM 841 OG1 THR A 63 7.593 7.808 -18.000 1.00 2.30 O ATOM 842 CG2 THR A 63 7.467 9.710 -16.517 1.00 40.24 C ATOM 0 H THR A 63 9.496 7.004 -18.340 1.00 71.40 H new ATOM 0 HA THR A 63 9.903 9.481 -17.132 1.00 30.41 H new ATOM 0 HB THR A 63 7.842 7.686 -15.950 1.00 64.13 H new ATOM 0 HG1 THR A 63 6.863 8.372 -18.331 1.00 2.30 H new ATOM 0 HG21 THR A 63 6.383 9.605 -16.472 1.00 40.24 H new ATOM 0 HG22 THR A 63 7.832 10.107 -15.570 1.00 40.24 H new ATOM 0 HG23 THR A 63 7.732 10.394 -17.324 1.00 40.24 H new ATOM 850 N GLU A 64 10.775 6.961 -15.321 1.00 72.32 N ATOM 851 CA GLU A 64 11.368 6.546 -14.055 1.00 53.01 C ATOM 852 C GLU A 64 10.308 6.458 -12.961 1.00 74.40 C ATOM 853 O GLU A 64 9.801 5.377 -12.656 1.00 5.10 O ATOM 854 CB GLU A 64 12.468 7.524 -13.637 1.00 14.10 C ATOM 855 CG GLU A 64 13.872 7.020 -13.923 1.00 71.45 C ATOM 856 CD GLU A 64 14.916 8.115 -13.829 1.00 10.11 C ATOM 857 OE1 GLU A 64 14.683 9.206 -14.390 1.00 54.23 O ATOM 858 OE2 GLU A 64 15.966 7.882 -13.194 1.00 72.15 O ATOM 0 H GLU A 64 10.829 6.262 -16.062 1.00 72.32 H new ATOM 0 HA GLU A 64 11.805 5.557 -14.194 1.00 53.01 H new ATOM 0 HB2 GLU A 64 12.318 8.470 -14.157 1.00 14.10 H new ATOM 0 HB3 GLU A 64 12.375 7.728 -12.570 1.00 14.10 H new ATOM 0 HG2 GLU A 64 14.119 6.226 -13.218 1.00 71.45 H new ATOM 0 HG3 GLU A 64 13.900 6.581 -14.920 1.00 71.45 H new ATOM 865 N THR A 65 9.976 7.603 -12.372 1.00 60.44 N ATOM 866 CA THR A 65 8.978 7.656 -11.311 1.00 63.33 C ATOM 867 C THR A 65 7.639 8.155 -11.841 1.00 33.43 C ATOM 868 O THR A 65 7.574 8.796 -12.891 1.00 22.35 O ATOM 869 CB THR A 65 9.434 8.569 -10.157 1.00 74.43 C ATOM 870 OG1 THR A 65 9.308 9.943 -10.541 1.00 23.52 O ATOM 871 CG2 THR A 65 10.875 8.274 -9.771 1.00 2.22 C ATOM 0 H THR A 65 10.384 8.506 -12.612 1.00 60.44 H new ATOM 0 HA THR A 65 8.861 6.640 -10.935 1.00 63.33 H new ATOM 0 HB THR A 65 8.797 8.374 -9.294 1.00 74.43 H new ATOM 0 HG1 THR A 65 9.598 10.517 -9.802 1.00 23.52 H new ATOM 0 HG21 THR A 65 11.175 8.931 -8.954 1.00 2.22 H new ATOM 0 HG22 THR A 65 10.961 7.235 -9.451 1.00 2.22 H new ATOM 0 HG23 THR A 65 11.524 8.444 -10.630 1.00 2.22 H new ATOM 879 N LEU A 66 6.571 7.858 -11.108 1.00 70.33 N ATOM 880 CA LEU A 66 5.231 8.277 -11.504 1.00 50.30 C ATOM 881 C LEU A 66 4.636 9.238 -10.479 1.00 44.14 C ATOM 882 O LEU A 66 3.673 9.948 -10.766 1.00 70.34 O ATOM 883 CB LEU A 66 4.321 7.059 -11.666 1.00 34.22 C ATOM 884 CG LEU A 66 4.499 6.254 -12.953 1.00 64.44 C ATOM 885 CD1 LEU A 66 5.038 4.865 -12.644 1.00 53.23 C ATOM 886 CD2 LEU A 66 3.183 6.161 -13.711 1.00 61.34 C ATOM 0 H LEU A 66 6.607 7.329 -10.237 1.00 70.33 H new ATOM 0 HA LEU A 66 5.307 8.795 -12.460 1.00 50.30 H new ATOM 0 HB2 LEU A 66 4.485 6.393 -10.819 1.00 34.22 H new ATOM 0 HB3 LEU A 66 3.285 7.395 -11.612 1.00 34.22 H new ATOM 0 HG LEU A 66 5.223 6.770 -13.584 1.00 64.44 H new ATOM 0 HD11 LEU A 66 5.158 4.307 -13.572 1.00 53.23 H new ATOM 0 HD12 LEU A 66 6.003 4.952 -12.145 1.00 53.23 H new ATOM 0 HD13 LEU A 66 4.339 4.340 -11.993 1.00 53.23 H new ATOM 0 HD21 LEU A 66 3.329 5.584 -14.624 1.00 61.34 H new ATOM 0 HD22 LEU A 66 2.437 5.669 -13.087 1.00 61.34 H new ATOM 0 HD23 LEU A 66 2.838 7.163 -13.966 1.00 61.34 H new ATOM 898 N GLU A 67 5.219 9.256 -9.285 1.00 2.24 N ATOM 899 CA GLU A 67 4.747 10.131 -8.218 1.00 50.43 C ATOM 900 C GLU A 67 4.789 11.593 -8.655 1.00 75.14 C ATOM 901 O GLU A 67 3.975 12.406 -8.218 1.00 10.35 O ATOM 902 CB GLU A 67 5.594 9.940 -6.959 1.00 2.35 C ATOM 903 CG GLU A 67 7.028 10.419 -7.111 1.00 63.42 C ATOM 904 CD GLU A 67 7.863 10.163 -5.872 1.00 5.45 C ATOM 905 OE1 GLU A 67 7.286 9.771 -4.837 1.00 33.43 O ATOM 906 OE2 GLU A 67 9.096 10.357 -5.937 1.00 73.40 O ATOM 0 H GLU A 67 6.018 8.675 -9.032 1.00 2.24 H new ATOM 0 HA GLU A 67 3.714 9.865 -7.996 1.00 50.43 H new ATOM 0 HB2 GLU A 67 5.127 10.475 -6.132 1.00 2.35 H new ATOM 0 HB3 GLU A 67 5.599 8.883 -6.692 1.00 2.35 H new ATOM 0 HG2 GLU A 67 7.486 9.917 -7.963 1.00 63.42 H new ATOM 0 HG3 GLU A 67 7.029 11.487 -7.331 1.00 63.42 H new ATOM 913 N SER A 68 5.743 11.918 -9.522 1.00 12.55 N ATOM 914 CA SER A 68 5.894 13.282 -10.015 1.00 42.22 C ATOM 915 C SER A 68 4.677 13.702 -10.833 1.00 14.20 C ATOM 916 O SER A 68 4.439 14.891 -11.049 1.00 1.41 O ATOM 917 CB SER A 68 7.160 13.402 -10.866 1.00 61.50 C ATOM 918 OG SER A 68 8.096 14.281 -10.267 1.00 61.11 O ATOM 0 H SER A 68 6.422 11.256 -9.897 1.00 12.55 H new ATOM 0 HA SER A 68 5.978 13.946 -9.154 1.00 42.22 H new ATOM 0 HB2 SER A 68 7.611 12.418 -10.994 1.00 61.50 H new ATOM 0 HB3 SER A 68 6.900 13.765 -11.860 1.00 61.50 H new ATOM 0 HG SER A 68 8.897 14.339 -10.829 1.00 61.11 H new ATOM 924 N LEU A 69 3.908 12.718 -11.286 1.00 20.12 N ATOM 925 CA LEU A 69 2.714 12.983 -12.080 1.00 52.44 C ATOM 926 C LEU A 69 1.459 12.915 -11.216 1.00 54.15 C ATOM 927 O LEU A 69 0.386 13.358 -11.625 1.00 43.53 O ATOM 928 CB LEU A 69 2.610 11.981 -13.231 1.00 52.13 C ATOM 929 CG LEU A 69 3.928 11.581 -13.894 1.00 43.22 C ATOM 930 CD1 LEU A 69 3.680 10.592 -15.023 1.00 1.24 C ATOM 931 CD2 LEU A 69 4.660 12.811 -14.412 1.00 14.21 C ATOM 0 H LEU A 69 4.090 11.729 -11.117 1.00 20.12 H new ATOM 0 HA LEU A 69 2.796 13.990 -12.490 1.00 52.44 H new ATOM 0 HB2 LEU A 69 2.126 11.079 -12.858 1.00 52.13 H new ATOM 0 HB3 LEU A 69 1.955 12.402 -13.994 1.00 52.13 H new ATOM 0 HG LEU A 69 4.556 11.097 -13.146 1.00 43.22 H new ATOM 0 HD11 LEU A 69 4.630 10.319 -15.483 1.00 1.24 H new ATOM 0 HD12 LEU A 69 3.199 9.698 -14.625 1.00 1.24 H new ATOM 0 HD13 LEU A 69 3.033 11.049 -15.771 1.00 1.24 H new ATOM 0 HD21 LEU A 69 5.596 12.507 -14.881 1.00 14.21 H new ATOM 0 HD22 LEU A 69 4.037 13.323 -15.145 1.00 14.21 H new ATOM 0 HD23 LEU A 69 4.872 13.485 -13.582 1.00 14.21 H new ATOM 943 N GLY A 70 1.601 12.358 -10.018 1.00 31.24 N ATOM 944 CA GLY A 70 0.471 12.244 -9.114 1.00 22.42 C ATOM 945 C GLY A 70 -0.101 10.840 -9.075 1.00 41.52 C ATOM 946 O GLY A 70 -1.286 10.638 -9.341 1.00 64.44 O ATOM 0 H GLY A 70 2.478 11.983 -9.657 1.00 31.24 H new ATOM 0 HA2 GLY A 70 0.782 12.534 -8.110 1.00 22.42 H new ATOM 0 HA3 GLY A 70 -0.308 12.942 -9.421 1.00 22.42 H new ATOM 950 N VAL A 71 0.743 9.868 -8.744 1.00 73.13 N ATOM 951 CA VAL A 71 0.315 8.476 -8.672 1.00 55.14 C ATOM 952 C VAL A 71 -0.148 8.115 -7.265 1.00 43.32 C ATOM 953 O VAL A 71 0.441 8.552 -6.277 1.00 34.05 O ATOM 954 CB VAL A 71 1.446 7.518 -9.091 1.00 2.55 C ATOM 955 CG1 VAL A 71 2.570 7.539 -8.065 1.00 53.54 C ATOM 956 CG2 VAL A 71 0.908 6.108 -9.276 1.00 24.55 C ATOM 0 H VAL A 71 1.727 10.019 -8.522 1.00 73.13 H new ATOM 0 HA VAL A 71 -0.519 8.365 -9.365 1.00 55.14 H new ATOM 0 HB VAL A 71 1.851 7.855 -10.045 1.00 2.55 H new ATOM 0 HG11 VAL A 71 3.360 6.856 -8.377 1.00 53.54 H new ATOM 0 HG12 VAL A 71 2.973 8.549 -7.987 1.00 53.54 H new ATOM 0 HG13 VAL A 71 2.183 7.227 -7.095 1.00 53.54 H new ATOM 0 HG21 VAL A 71 1.721 5.444 -9.572 1.00 24.55 H new ATOM 0 HG22 VAL A 71 0.476 5.757 -8.339 1.00 24.55 H new ATOM 0 HG23 VAL A 71 0.141 6.110 -10.050 1.00 24.55 H new ATOM 966 N ALA A 72 -1.205 7.315 -7.183 1.00 33.42 N ATOM 967 CA ALA A 72 -1.746 6.893 -5.896 1.00 65.55 C ATOM 968 C ALA A 72 -1.668 5.378 -5.739 1.00 23.22 C ATOM 969 O ALA A 72 -1.753 4.637 -6.718 1.00 63.04 O ATOM 970 CB ALA A 72 -3.183 7.368 -5.746 1.00 71.43 C ATOM 0 H ALA A 72 -1.704 6.946 -7.992 1.00 33.42 H new ATOM 0 HA ALA A 72 -1.142 7.346 -5.109 1.00 65.55 H new ATOM 0 HB1 ALA A 72 -3.574 7.046 -4.781 1.00 71.43 H new ATOM 0 HB2 ALA A 72 -3.215 8.456 -5.805 1.00 71.43 H new ATOM 0 HB3 ALA A 72 -3.792 6.943 -6.544 1.00 71.43 H new ATOM 976 N ASP A 73 -1.505 4.924 -4.501 1.00 10.32 N ATOM 977 CA ASP A 73 -1.416 3.497 -4.215 1.00 0.01 C ATOM 978 C ASP A 73 -2.745 2.803 -4.494 1.00 73.14 C ATOM 979 O ASP A 73 -3.813 3.384 -4.304 1.00 42.25 O ATOM 980 CB ASP A 73 -1.005 3.271 -2.759 1.00 41.41 C ATOM 981 CG ASP A 73 0.489 3.420 -2.550 1.00 23.02 C ATOM 982 OD1 ASP A 73 1.238 3.341 -3.546 1.00 22.12 O ATOM 983 OD2 ASP A 73 0.910 3.614 -1.390 1.00 11.41 O ATOM 0 H ASP A 73 -1.432 5.524 -3.679 1.00 10.32 H new ATOM 0 HA ASP A 73 -0.657 3.068 -4.869 1.00 0.01 H new ATOM 0 HB2 ASP A 73 -1.531 3.982 -2.121 1.00 41.41 H new ATOM 0 HB3 ASP A 73 -1.315 2.273 -2.448 1.00 41.41 H new ATOM 988 N GLY A 74 -2.672 1.555 -4.948 1.00 40.22 N ATOM 989 CA GLY A 74 -3.876 0.803 -5.248 1.00 32.21 C ATOM 990 C GLY A 74 -4.285 0.918 -6.703 1.00 64.31 C ATOM 991 O GLY A 74 -5.409 0.575 -7.068 1.00 53.22 O ATOM 0 H GLY A 74 -1.800 1.052 -5.113 1.00 40.22 H new ATOM 0 HA2 GLY A 74 -3.716 -0.246 -5.001 1.00 32.21 H new ATOM 0 HA3 GLY A 74 -4.690 1.159 -4.616 1.00 32.21 H new ATOM 995 N ASP A 75 -3.370 1.402 -7.536 1.00 11.41 N ATOM 996 CA ASP A 75 -3.641 1.563 -8.960 1.00 31.51 C ATOM 997 C ASP A 75 -3.536 0.225 -9.687 1.00 12.43 C ATOM 998 O ASP A 75 -2.897 -0.709 -9.202 1.00 41.32 O ATOM 999 CB ASP A 75 -2.669 2.570 -9.576 1.00 25.42 C ATOM 1000 CG ASP A 75 -3.298 3.934 -9.777 1.00 73.23 C ATOM 1001 OD1 ASP A 75 -4.235 4.040 -10.597 1.00 44.31 O ATOM 1002 OD2 ASP A 75 -2.856 4.895 -9.114 1.00 64.15 O ATOM 0 H ASP A 75 -2.434 1.690 -7.250 1.00 11.41 H new ATOM 0 HA ASP A 75 -4.658 1.938 -9.071 1.00 31.51 H new ATOM 0 HB2 ASP A 75 -1.795 2.668 -8.932 1.00 25.42 H new ATOM 0 HB3 ASP A 75 -2.317 2.191 -10.535 1.00 25.42 H new ATOM 1007 N LYS A 76 -4.169 0.140 -10.852 1.00 20.01 N ATOM 1008 CA LYS A 76 -4.148 -1.082 -11.647 1.00 24.11 C ATOM 1009 C LYS A 76 -3.450 -0.850 -12.983 1.00 51.44 C ATOM 1010 O LYS A 76 -3.774 0.091 -13.708 1.00 42.44 O ATOM 1011 CB LYS A 76 -5.573 -1.586 -11.884 1.00 52.53 C ATOM 1012 CG LYS A 76 -5.648 -2.784 -12.814 1.00 21.52 C ATOM 1013 CD LYS A 76 -6.374 -2.445 -14.105 1.00 12.14 C ATOM 1014 CE LYS A 76 -7.861 -2.231 -13.868 1.00 12.54 C ATOM 1015 NZ LYS A 76 -8.574 -3.514 -13.619 1.00 20.12 N ATOM 0 H LYS A 76 -4.703 0.903 -11.267 1.00 20.01 H new ATOM 0 HA LYS A 76 -3.591 -1.837 -11.092 1.00 24.11 H new ATOM 0 HB2 LYS A 76 -6.019 -1.852 -10.926 1.00 52.53 H new ATOM 0 HB3 LYS A 76 -6.171 -0.776 -12.300 1.00 52.53 H new ATOM 0 HG2 LYS A 76 -4.640 -3.131 -13.043 1.00 21.52 H new ATOM 0 HG3 LYS A 76 -6.161 -3.604 -12.312 1.00 21.52 H new ATOM 0 HD2 LYS A 76 -5.941 -1.545 -14.542 1.00 12.14 H new ATOM 0 HD3 LYS A 76 -6.231 -3.250 -14.826 1.00 12.14 H new ATOM 0 HE2 LYS A 76 -8.001 -1.567 -13.015 1.00 12.54 H new ATOM 0 HE3 LYS A 76 -8.299 -1.735 -14.734 1.00 12.54 H new ATOM 0 HZ1 LYS A 76 -9.599 -3.340 -13.580 1.00 20.12 H new ATOM 0 HZ2 LYS A 76 -8.365 -4.182 -14.388 1.00 20.12 H new ATOM 0 HZ3 LYS A 76 -8.257 -3.917 -12.714 1.00 20.12 H new ATOM 1029 N PHE A 77 -2.493 -1.713 -13.304 1.00 64.41 N ATOM 1030 CA PHE A 77 -1.750 -1.602 -14.554 1.00 61.11 C ATOM 1031 C PHE A 77 -2.068 -2.771 -15.482 1.00 13.01 C ATOM 1032 O PHE A 77 -2.336 -3.884 -15.028 1.00 2.40 O ATOM 1033 CB PHE A 77 -0.246 -1.552 -14.276 1.00 31.22 C ATOM 1034 CG PHE A 77 0.122 -0.657 -13.127 1.00 54.35 C ATOM 1035 CD1 PHE A 77 0.113 0.721 -13.276 1.00 32.02 C ATOM 1036 CD2 PHE A 77 0.475 -1.192 -11.900 1.00 25.33 C ATOM 1037 CE1 PHE A 77 0.452 1.547 -12.221 1.00 15.21 C ATOM 1038 CE2 PHE A 77 0.815 -0.371 -10.841 1.00 12.01 C ATOM 1039 CZ PHE A 77 0.802 1.001 -11.002 1.00 33.43 C ATOM 0 H PHE A 77 -2.213 -2.498 -12.716 1.00 64.41 H new ATOM 0 HA PHE A 77 -2.053 -0.678 -15.046 1.00 61.11 H new ATOM 0 HB2 PHE A 77 0.111 -2.561 -14.069 1.00 31.22 H new ATOM 0 HB3 PHE A 77 0.270 -1.209 -15.173 1.00 31.22 H new ATOM 0 HD1 PHE A 77 -0.162 1.154 -14.227 1.00 32.02 H new ATOM 0 HD2 PHE A 77 0.485 -2.264 -11.768 1.00 25.33 H new ATOM 0 HE1 PHE A 77 0.443 2.619 -12.350 1.00 15.21 H new ATOM 0 HE2 PHE A 77 1.090 -0.801 -9.890 1.00 12.01 H new ATOM 0 HZ PHE A 77 1.065 1.645 -10.176 1.00 33.43 H new ATOM 1049 N VAL A 78 -2.038 -2.510 -16.785 1.00 0.21 N ATOM 1050 CA VAL A 78 -2.323 -3.539 -17.778 1.00 4.12 C ATOM 1051 C VAL A 78 -1.037 -4.073 -18.400 1.00 12.31 C ATOM 1052 O VAL A 78 -0.200 -3.305 -18.877 1.00 22.53 O ATOM 1053 CB VAL A 78 -3.237 -3.003 -18.895 1.00 42.15 C ATOM 1054 CG1 VAL A 78 -3.671 -4.132 -19.818 1.00 12.14 C ATOM 1055 CG2 VAL A 78 -4.445 -2.294 -18.301 1.00 64.13 C ATOM 0 H VAL A 78 -1.819 -1.594 -17.178 1.00 0.21 H new ATOM 0 HA VAL A 78 -2.835 -4.348 -17.258 1.00 4.12 H new ATOM 0 HB VAL A 78 -2.674 -2.280 -19.485 1.00 42.15 H new ATOM 0 HG11 VAL A 78 -4.316 -3.734 -20.601 1.00 12.14 H new ATOM 0 HG12 VAL A 78 -2.792 -4.590 -20.271 1.00 12.14 H new ATOM 0 HG13 VAL A 78 -4.216 -4.882 -19.245 1.00 12.14 H new ATOM 0 HG21 VAL A 78 -5.080 -1.922 -19.105 1.00 64.13 H new ATOM 0 HG22 VAL A 78 -5.011 -2.993 -17.686 1.00 64.13 H new ATOM 0 HG23 VAL A 78 -4.111 -1.458 -17.686 1.00 64.13 H new ATOM 1065 N LEU A 79 -0.887 -5.393 -18.392 1.00 42.45 N ATOM 1066 CA LEU A 79 0.297 -6.031 -18.957 1.00 3.10 C ATOM 1067 C LEU A 79 -0.020 -6.673 -20.303 1.00 71.45 C ATOM 1068 O LEU A 79 -0.997 -7.412 -20.435 1.00 41.41 O ATOM 1069 CB LEU A 79 0.842 -7.085 -17.992 1.00 34.34 C ATOM 1070 CG LEU A 79 0.732 -6.753 -16.503 1.00 53.11 C ATOM 1071 CD1 LEU A 79 1.074 -7.970 -15.658 1.00 10.12 C ATOM 1072 CD2 LEU A 79 1.639 -5.583 -16.149 1.00 72.44 C ATOM 0 H LEU A 79 -1.570 -6.042 -18.001 1.00 42.45 H new ATOM 0 HA LEU A 79 1.054 -5.263 -19.112 1.00 3.10 H new ATOM 0 HB2 LEU A 79 0.316 -8.022 -18.175 1.00 34.34 H new ATOM 0 HB3 LEU A 79 1.892 -7.257 -18.229 1.00 34.34 H new ATOM 0 HG LEU A 79 -0.298 -6.466 -16.289 1.00 53.11 H new ATOM 0 HD11 LEU A 79 0.990 -7.715 -14.602 1.00 10.12 H new ATOM 0 HD12 LEU A 79 0.384 -8.781 -15.891 1.00 10.12 H new ATOM 0 HD13 LEU A 79 2.094 -8.288 -15.875 1.00 10.12 H new ATOM 0 HD21 LEU A 79 1.548 -5.361 -15.086 1.00 72.44 H new ATOM 0 HD22 LEU A 79 2.673 -5.842 -16.378 1.00 72.44 H new ATOM 0 HD23 LEU A 79 1.347 -4.708 -16.729 1.00 72.44 H new ATOM 1084 N ILE A 80 0.812 -6.389 -21.300 1.00 21.25 N ATOM 1085 CA ILE A 80 0.622 -6.942 -22.635 1.00 33.13 C ATOM 1086 C ILE A 80 1.809 -7.805 -23.047 1.00 25.01 C ATOM 1087 O ILE A 80 2.950 -7.533 -22.670 1.00 31.11 O ATOM 1088 CB ILE A 80 0.422 -5.830 -23.681 1.00 72.03 C ATOM 1089 CG1 ILE A 80 -0.629 -4.828 -23.198 1.00 45.21 C ATOM 1090 CG2 ILE A 80 0.014 -6.429 -25.019 1.00 44.12 C ATOM 1091 CD1 ILE A 80 -0.045 -3.500 -22.770 1.00 5.23 C ATOM 0 H ILE A 80 1.624 -5.779 -21.208 1.00 21.25 H new ATOM 0 HA ILE A 80 -0.276 -7.559 -22.596 1.00 33.13 H new ATOM 0 HB ILE A 80 1.366 -5.302 -23.813 1.00 72.03 H new ATOM 0 HG12 ILE A 80 -1.351 -4.658 -23.996 1.00 45.21 H new ATOM 0 HG13 ILE A 80 -1.176 -5.262 -22.361 1.00 45.21 H new ATOM 0 HG21 ILE A 80 -0.124 -5.631 -25.748 1.00 44.12 H new ATOM 0 HG22 ILE A 80 0.793 -7.108 -25.367 1.00 44.12 H new ATOM 0 HG23 ILE A 80 -0.920 -6.979 -24.902 1.00 44.12 H new ATOM 0 HD11 ILE A 80 -0.847 -2.839 -22.440 1.00 5.23 H new ATOM 0 HD12 ILE A 80 0.656 -3.658 -21.950 1.00 5.23 H new ATOM 0 HD13 ILE A 80 0.477 -3.044 -23.611 1.00 5.23 H new ATOM 1103 N THR A 81 1.535 -8.847 -23.826 1.00 21.15 N ATOM 1104 CA THR A 81 2.580 -9.750 -24.290 1.00 63.22 C ATOM 1105 C THR A 81 2.249 -10.313 -25.668 1.00 15.43 C ATOM 1106 O THR A 81 1.141 -10.798 -25.900 1.00 42.22 O ATOM 1107 CB THR A 81 2.791 -10.918 -23.308 1.00 71.35 C ATOM 1108 OG1 THR A 81 3.632 -11.913 -23.904 1.00 13.14 O ATOM 1109 CG2 THR A 81 1.460 -11.541 -22.915 1.00 70.31 C ATOM 0 H THR A 81 0.597 -9.086 -24.149 1.00 21.15 H new ATOM 0 HA THR A 81 3.498 -9.166 -24.350 1.00 63.22 H new ATOM 0 HB THR A 81 3.271 -10.528 -22.410 1.00 71.35 H new ATOM 0 HG1 THR A 81 3.763 -12.651 -23.273 1.00 13.14 H new ATOM 0 HG21 THR A 81 1.634 -12.363 -22.221 1.00 70.31 H new ATOM 0 HG22 THR A 81 0.833 -10.789 -22.436 1.00 70.31 H new ATOM 0 HG23 THR A 81 0.958 -11.918 -23.806 1.00 70.31 H new ATOM 1117 N ARG A 82 3.215 -10.245 -26.578 1.00 13.03 N ATOM 1118 CA ARG A 82 3.024 -10.747 -27.933 1.00 63.40 C ATOM 1119 C ARG A 82 3.666 -12.122 -28.098 1.00 50.15 C ATOM 1120 O ARG A 82 4.818 -12.332 -27.718 1.00 44.51 O ATOM 1121 CB ARG A 82 3.617 -9.770 -28.950 1.00 31.30 C ATOM 1122 CG ARG A 82 2.630 -8.720 -29.432 1.00 11.30 C ATOM 1123 CD ARG A 82 1.512 -9.341 -30.254 1.00 33.42 C ATOM 1124 NE ARG A 82 1.476 -8.816 -31.616 1.00 1.31 N ATOM 1125 CZ ARG A 82 0.712 -9.319 -32.578 1.00 73.54 C ATOM 1126 NH1 ARG A 82 -0.077 -10.356 -32.329 1.00 44.03 N ATOM 1127 NH2 ARG A 82 0.735 -8.786 -33.793 1.00 54.11 N ATOM 0 H ARG A 82 4.138 -9.847 -26.401 1.00 13.03 H new ATOM 0 HA ARG A 82 1.953 -10.841 -28.112 1.00 63.40 H new ATOM 0 HB2 ARG A 82 4.477 -9.271 -28.503 1.00 31.30 H new ATOM 0 HB3 ARG A 82 3.986 -10.331 -29.809 1.00 31.30 H new ATOM 0 HG2 ARG A 82 2.205 -8.198 -28.575 1.00 11.30 H new ATOM 0 HG3 ARG A 82 3.153 -7.975 -30.032 1.00 11.30 H new ATOM 0 HD2 ARG A 82 1.644 -10.423 -30.286 1.00 33.42 H new ATOM 0 HD3 ARG A 82 0.556 -9.151 -29.767 1.00 33.42 H new ATOM 0 HE ARG A 82 2.071 -8.019 -31.841 1.00 1.31 H new ATOM 0 HH11 ARG A 82 -0.098 -10.769 -31.396 1.00 44.03 H new ATOM 0 HH12 ARG A 82 -0.663 -10.740 -33.070 1.00 44.03 H new ATOM 0 HH21 ARG A 82 1.340 -7.989 -33.989 1.00 54.11 H new ATOM 0 HH22 ARG A 82 0.147 -9.174 -34.531 1.00 54.11 H new ATOM 1141 N THR A 83 2.912 -13.057 -28.668 1.00 52.23 N ATOM 1142 CA THR A 83 3.405 -14.411 -28.883 1.00 25.23 C ATOM 1143 C THR A 83 4.273 -14.489 -30.134 1.00 11.32 C ATOM 1144 O THR A 83 4.153 -13.660 -31.037 1.00 23.43 O ATOM 1145 CB THR A 83 2.247 -15.418 -29.012 1.00 54.42 C ATOM 1146 OG1 THR A 83 1.168 -14.831 -29.749 1.00 43.15 O ATOM 1147 CG2 THR A 83 1.752 -15.853 -27.641 1.00 22.00 C ATOM 0 H THR A 83 1.957 -12.900 -28.989 1.00 52.23 H new ATOM 0 HA THR A 83 4.005 -14.670 -28.011 1.00 25.23 H new ATOM 0 HB THR A 83 2.616 -16.296 -29.543 1.00 54.42 H new ATOM 0 HG1 THR A 83 0.436 -15.478 -29.828 1.00 43.15 H new ATOM 0 HG21 THR A 83 0.934 -16.564 -27.758 1.00 22.00 H new ATOM 0 HG22 THR A 83 2.567 -16.325 -27.093 1.00 22.00 H new ATOM 0 HG23 THR A 83 1.399 -14.982 -27.088 1.00 22.00 H new ATOM 1155 N VAL A 84 5.147 -15.489 -30.182 1.00 35.54 N ATOM 1156 CA VAL A 84 6.033 -15.676 -31.324 1.00 23.22 C ATOM 1157 C VAL A 84 5.902 -17.083 -31.897 1.00 42.32 C ATOM 1158 O VAL A 84 6.835 -17.606 -32.504 1.00 63.52 O ATOM 1159 CB VAL A 84 7.504 -15.425 -30.940 1.00 33.34 C ATOM 1160 CG1 VAL A 84 7.728 -13.956 -30.616 1.00 31.11 C ATOM 1161 CG2 VAL A 84 7.905 -16.306 -29.766 1.00 12.44 C ATOM 0 H VAL A 84 5.260 -16.182 -29.443 1.00 35.54 H new ATOM 0 HA VAL A 84 5.733 -14.950 -32.079 1.00 23.22 H new ATOM 0 HB VAL A 84 8.134 -15.684 -31.791 1.00 33.34 H new ATOM 0 HG11 VAL A 84 8.772 -13.798 -30.347 1.00 31.11 H new ATOM 0 HG12 VAL A 84 7.482 -13.350 -31.488 1.00 31.11 H new ATOM 0 HG13 VAL A 84 7.090 -13.666 -29.781 1.00 31.11 H new ATOM 0 HG21 VAL A 84 8.947 -16.116 -29.508 1.00 12.44 H new ATOM 0 HG22 VAL A 84 7.272 -16.080 -28.908 1.00 12.44 H new ATOM 0 HG23 VAL A 84 7.784 -17.354 -30.040 1.00 12.44 H new ATOM 1171 N GLY A 85 4.736 -17.690 -31.701 1.00 13.25 N ATOM 1172 CA GLY A 85 4.503 -19.031 -32.205 1.00 0.34 C ATOM 1173 C GLY A 85 3.968 -19.032 -33.623 1.00 24.20 C ATOM 1174 O GLY A 85 3.278 -19.966 -34.032 1.00 40.41 O ATOM 0 H GLY A 85 3.948 -17.277 -31.202 1.00 13.25 H new ATOM 0 HA2 GLY A 85 5.435 -19.596 -32.171 1.00 0.34 H new ATOM 0 HA3 GLY A 85 3.796 -19.543 -31.553 1.00 0.34 H new TER 1178 GLY A 85