USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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 31 ASN : amide:sc= -3.29! C(o=-4.2!,f=-11!) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.869 K(o=-4.2,f=-6.5!) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= -0.416 USER MOD Set 2.2: A 28 GLN : amide:sc= -0.731 K(o=-1.1,f=-4.1!) USER MOD Single : A 13 SER OG : rot -2:sc= 1.3 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 0.265 (180deg=-0.146) USER MOD Single : A 20 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.8) USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0414) USER MOD Single : A 30 MET CE :methyl 172:sc= -2.5 (180deg=-2.83!) USER MOD Single : A 33 LYS NZ :NH3+ 137:sc= 0.922 (180deg=-1.35!) USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= 1.19 (180deg=0.231) USER MOD Single : A 39 CYS SG : rot 71:sc= 0.0512 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 93:sc= -0.664 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= -0.301 (180deg=-0.406) USER MOD Single : A 49 SER OG : rot 145:sc= 0.85 USER MOD Single : A 51 THR OG1 : rot -52:sc= 0.485 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 78:sc= 0.453 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= -1.08! (180deg=-5.69!) USER MOD Single : A 65 LYS NZ :NH3+ -132:sc= -1.56 (180deg=-4.16!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.49 K(o=-1.5,f=-15!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.18) USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0.804) USER MOD Single : A 84 THR OG1 : rot -21:sc= 1.18 USER MOD Single : A 85 LYS NZ :NH3+ 138:sc= 1.31 (180deg=0.53) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 170:sc=-0.00415 (180deg=-0.12) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 180:sc= -3.11! USER MOD Single : A 101 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -123:sc= 1.07 (180deg=-0.846) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 12.962 -0.968 2.538 1.00 0.00 N ATOM 78 CA ILE A 7 12.798 -0.643 1.119 1.00 0.00 C ATOM 79 C ILE A 7 13.521 -1.665 0.233 1.00 0.00 C ATOM 80 O ILE A 7 14.437 -2.354 0.693 1.00 0.00 O ATOM 81 CB ILE A 7 13.301 0.781 0.810 1.00 0.00 C ATOM 82 CG1 ILE A 7 14.778 0.942 1.219 1.00 0.00 C ATOM 83 CG2 ILE A 7 12.418 1.791 1.533 1.00 0.00 C ATOM 84 CD1 ILE A 7 15.348 2.322 0.951 1.00 0.00 C ATOM 0 HA ILE A 7 11.732 -0.685 0.896 1.00 0.00 H new ATOM 0 HB ILE A 7 13.241 0.960 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 7 14.876 0.720 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 7 15.375 0.204 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.769 2.800 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.388 1.684 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.464 1.612 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 7 16.391 2.353 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 7 15.285 2.541 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 7 14.778 3.066 1.508 1.00 0.00 H new ATOM 96 N ALA A 8 13.102 -1.766 -1.029 1.00 0.00 N ATOM 97 CA ALA A 8 13.487 -2.889 -1.904 1.00 0.00 C ATOM 98 C ALA A 8 12.783 -4.184 -1.459 1.00 0.00 C ATOM 99 O ALA A 8 12.267 -4.934 -2.283 1.00 0.00 O ATOM 100 CB ALA A 8 15.002 -3.082 -1.957 1.00 0.00 C ATOM 0 H ALA A 8 12.492 -1.082 -1.476 1.00 0.00 H new ATOM 0 HA ALA A 8 13.161 -2.643 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.239 -3.920 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.471 -2.176 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.378 -3.288 -0.955 1.00 0.00 H new ATOM 106 N GLY A 9 12.744 -4.428 -0.145 1.00 0.00 N ATOM 107 CA GLY A 9 11.949 -5.531 0.389 1.00 0.00 C ATOM 108 C GLY A 9 10.462 -5.203 0.344 1.00 0.00 C ATOM 109 O GLY A 9 9.617 -6.069 0.118 1.00 0.00 O ATOM 0 H GLY A 9 13.246 -3.884 0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.143 -6.436 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.249 -5.736 1.417 1.00 0.00 H new ATOM 113 N LEU A 10 10.159 -3.924 0.559 1.00 0.00 N ATOM 114 CA LEU A 10 8.815 -3.386 0.354 1.00 0.00 C ATOM 115 C LEU A 10 8.409 -3.515 -1.124 1.00 0.00 C ATOM 116 O LEU A 10 7.258 -3.804 -1.445 1.00 0.00 O ATOM 117 CB LEU A 10 8.784 -1.912 0.790 1.00 0.00 C ATOM 118 CG LEU A 10 7.423 -1.204 0.672 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.392 -1.848 1.598 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.564 0.290 0.968 1.00 0.00 C ATOM 0 H LEU A 10 10.837 -3.232 0.880 1.00 0.00 H new ATOM 0 HA LEU A 10 8.104 -3.953 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.113 -1.853 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.511 -1.361 0.193 1.00 0.00 H new ATOM 0 HG LEU A 10 7.070 -1.315 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.438 -1.330 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.266 -2.897 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.735 -1.777 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.590 0.772 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.945 0.426 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.257 0.738 0.256 1.00 0.00 H new ATOM 132 N GLU A 11 9.382 -3.312 -2.013 1.00 0.00 N ATOM 133 CA GLU A 11 9.177 -3.464 -3.461 1.00 0.00 C ATOM 134 C GLU A 11 8.934 -4.938 -3.827 1.00 0.00 C ATOM 135 O GLU A 11 8.080 -5.252 -4.662 1.00 0.00 O ATOM 136 CB GLU A 11 10.395 -2.918 -4.218 1.00 0.00 C ATOM 137 CG GLU A 11 10.258 -2.951 -5.738 1.00 0.00 C ATOM 138 CD GLU A 11 11.478 -2.382 -6.444 1.00 0.00 C ATOM 139 OE1 GLU A 11 11.561 -1.144 -6.596 1.00 0.00 O ATOM 140 OE2 GLU A 11 12.373 -3.169 -6.829 1.00 0.00 O ATOM 0 H GLU A 11 10.331 -3.039 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 11 8.293 -2.895 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.572 -1.890 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.274 -3.495 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.100 -3.979 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.374 -2.385 -6.033 1.00 0.00 H new ATOM 147 N GLU A 12 9.692 -5.836 -3.195 1.00 0.00 N ATOM 148 CA GLU A 12 9.487 -7.282 -3.343 1.00 0.00 C ATOM 149 C GLU A 12 8.030 -7.657 -3.023 1.00 0.00 C ATOM 150 O GLU A 12 7.317 -8.216 -3.863 1.00 0.00 O ATOM 151 CB GLU A 12 10.457 -8.051 -2.420 1.00 0.00 C ATOM 152 CG GLU A 12 10.223 -9.567 -2.376 1.00 0.00 C ATOM 153 CD GLU A 12 9.741 -10.068 -1.016 1.00 0.00 C ATOM 154 OE1 GLU A 12 8.894 -9.396 -0.393 1.00 0.00 O ATOM 155 OE2 GLU A 12 10.156 -11.167 -0.593 1.00 0.00 O ATOM 0 H GLU A 12 10.459 -5.587 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 12 9.692 -7.559 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.479 -7.863 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.370 -7.653 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.488 -9.836 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.150 -10.078 -2.635 1.00 0.00 H new ATOM 162 N SER A 13 7.594 -7.329 -1.808 1.00 0.00 N ATOM 163 CA SER A 13 6.219 -7.603 -1.369 1.00 0.00 C ATOM 164 C SER A 13 5.191 -6.898 -2.265 1.00 0.00 C ATOM 165 O SER A 13 4.169 -7.483 -2.634 1.00 0.00 O ATOM 166 CB SER A 13 6.030 -7.158 0.086 1.00 0.00 C ATOM 167 OG SER A 13 6.999 -7.757 0.933 1.00 0.00 O ATOM 0 H SER A 13 8.173 -6.871 -1.104 1.00 0.00 H new ATOM 0 HA SER A 13 6.055 -8.678 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.107 -6.073 0.151 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.030 -7.427 0.425 1.00 0.00 H new ATOM 0 HG SER A 13 7.570 -8.354 0.406 1.00 0.00 H new ATOM 173 N PHE A 14 5.478 -5.643 -2.615 1.00 0.00 N ATOM 174 CA PHE A 14 4.627 -4.866 -3.526 1.00 0.00 C ATOM 175 C PHE A 14 4.389 -5.625 -4.842 1.00 0.00 C ATOM 176 O PHE A 14 3.260 -5.729 -5.316 1.00 0.00 O ATOM 177 CB PHE A 14 5.280 -3.501 -3.807 1.00 0.00 C ATOM 178 CG PHE A 14 4.524 -2.634 -4.786 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.385 -1.947 -4.393 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.958 -2.502 -6.100 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.693 -1.150 -5.285 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.271 -1.705 -6.995 1.00 0.00 C ATOM 183 CZ PHE A 14 3.137 -1.028 -6.588 1.00 0.00 C ATOM 0 H PHE A 14 6.298 -5.138 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 14 3.659 -4.711 -3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.382 -2.961 -2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.287 -3.666 -4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.034 -2.036 -3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.843 -3.029 -6.425 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.806 -0.623 -4.964 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.620 -1.611 -8.013 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.599 -0.405 -7.287 1.00 0.00 H new ATOM 193 N ARG A 15 5.461 -6.162 -5.415 1.00 0.00 N ATOM 194 CA ARG A 15 5.373 -6.942 -6.653 1.00 0.00 C ATOM 195 C ARG A 15 4.595 -8.253 -6.432 1.00 0.00 C ATOM 196 O ARG A 15 3.717 -8.604 -7.218 1.00 0.00 O ATOM 197 CB ARG A 15 6.781 -7.241 -7.183 1.00 0.00 C ATOM 198 CG ARG A 15 6.801 -7.940 -8.538 1.00 0.00 C ATOM 199 CD ARG A 15 8.224 -8.079 -9.079 1.00 0.00 C ATOM 200 NE ARG A 15 8.248 -8.639 -10.431 1.00 0.00 N ATOM 201 CZ ARG A 15 8.875 -8.102 -11.443 1.00 0.00 C ATOM 202 NH1 ARG A 15 9.558 -7.012 -11.297 1.00 0.00 N ATOM 203 NH2 ARG A 15 8.829 -8.677 -12.601 1.00 0.00 N ATOM 0 H ARG A 15 6.407 -6.073 -5.043 1.00 0.00 H new ATOM 0 HA ARG A 15 4.830 -6.352 -7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.335 -6.305 -7.261 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.306 -7.863 -6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.348 -8.927 -8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.195 -7.377 -9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.706 -7.102 -9.084 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.804 -8.718 -8.412 1.00 0.00 H new ATOM 0 HE ARG A 15 7.740 -9.508 -10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.611 -6.562 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.043 -6.603 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.305 -9.544 -12.719 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.316 -8.263 -13.396 1.00 0.00 H new ATOM 217 N LYS A 16 4.924 -8.961 -5.348 1.00 0.00 N ATOM 218 CA LYS A 16 4.260 -10.228 -4.997 1.00 0.00 C ATOM 219 C LYS A 16 2.741 -10.057 -4.829 1.00 0.00 C ATOM 220 O LYS A 16 1.978 -11.005 -5.007 1.00 0.00 O ATOM 221 CB LYS A 16 4.884 -10.799 -3.714 1.00 0.00 C ATOM 222 CG LYS A 16 6.300 -11.339 -3.920 1.00 0.00 C ATOM 223 CD LYS A 16 7.171 -11.190 -2.675 1.00 0.00 C ATOM 224 CE LYS A 16 6.625 -11.942 -1.468 1.00 0.00 C ATOM 225 NZ LYS A 16 7.443 -11.686 -0.248 1.00 0.00 N ATOM 0 H LYS A 16 5.652 -8.679 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 16 4.413 -10.927 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.907 -10.021 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.249 -11.599 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.247 -12.392 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.768 -10.813 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.175 -11.551 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.260 -10.133 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.594 -11.640 -1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.611 -13.011 -1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.970 -12.101 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.382 -12.118 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.548 -10.661 -0.109 1.00 0.00 H new ATOM 239 N PHE A 17 2.312 -8.852 -4.464 1.00 0.00 N ATOM 240 CA PHE A 17 0.883 -8.525 -4.428 1.00 0.00 C ATOM 241 C PHE A 17 0.379 -8.049 -5.801 1.00 0.00 C ATOM 242 O PHE A 17 -0.677 -8.479 -6.260 1.00 0.00 O ATOM 243 CB PHE A 17 0.592 -7.460 -3.359 1.00 0.00 C ATOM 244 CG PHE A 17 0.338 -8.035 -1.989 1.00 0.00 C ATOM 245 CD1 PHE A 17 -0.934 -8.462 -1.637 1.00 0.00 C ATOM 246 CD2 PHE A 17 1.360 -8.148 -1.056 1.00 0.00 C ATOM 247 CE1 PHE A 17 -1.184 -8.992 -0.389 1.00 0.00 C ATOM 248 CE2 PHE A 17 1.116 -8.680 0.199 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.159 -9.101 0.533 1.00 0.00 C ATOM 0 H PHE A 17 2.928 -8.086 -4.189 1.00 0.00 H new ATOM 0 HA PHE A 17 0.347 -9.438 -4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.435 -6.772 -3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.276 -6.877 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.740 -8.378 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.356 -7.817 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.180 -9.322 -0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.919 -8.766 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.353 -9.514 1.512 1.00 0.00 H new ATOM 259 N ALA A 18 1.145 -7.173 -6.453 1.00 0.00 N ATOM 260 CA ALA A 18 0.753 -6.600 -7.750 1.00 0.00 C ATOM 261 C ALA A 18 0.442 -7.682 -8.802 1.00 0.00 C ATOM 262 O ALA A 18 -0.550 -7.589 -9.524 1.00 0.00 O ATOM 263 CB ALA A 18 1.846 -5.665 -8.263 1.00 0.00 C ATOM 0 H ALA A 18 2.045 -6.841 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.165 -6.036 -7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.545 -5.246 -9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.999 -4.857 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.774 -6.223 -8.385 1.00 0.00 H new ATOM 269 N ILE A 19 1.286 -8.710 -8.867 1.00 0.00 N ATOM 270 CA ILE A 19 1.129 -9.794 -9.853 1.00 0.00 C ATOM 271 C ILE A 19 0.495 -11.046 -9.222 1.00 0.00 C ATOM 272 O ILE A 19 0.517 -12.131 -9.806 1.00 0.00 O ATOM 273 CB ILE A 19 2.495 -10.184 -10.476 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.428 -10.792 -9.412 1.00 0.00 C ATOM 275 CG2 ILE A 19 3.143 -8.969 -11.136 1.00 0.00 C ATOM 276 CD1 ILE A 19 4.778 -11.223 -9.948 1.00 0.00 C ATOM 0 H ILE A 19 2.090 -8.821 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 19 0.468 -9.415 -10.632 1.00 0.00 H new ATOM 0 HB ILE A 19 2.322 -10.940 -11.241 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.581 -10.061 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.936 -11.654 -8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.101 -9.258 -11.569 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.489 -8.590 -11.922 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.302 -8.191 -10.389 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.375 -11.640 -9.137 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.638 -11.978 -10.721 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.293 -10.361 -10.372 1.00 0.00 H new ATOM 288 N HIS A 20 -0.084 -10.883 -8.035 1.00 0.00 N ATOM 289 CA HIS A 20 -0.634 -12.012 -7.274 1.00 0.00 C ATOM 290 C HIS A 20 -1.850 -12.653 -7.967 1.00 0.00 C ATOM 291 O HIS A 20 -2.073 -13.861 -7.859 1.00 0.00 O ATOM 292 CB HIS A 20 -1.025 -11.559 -5.864 1.00 0.00 C ATOM 293 CG HIS A 20 -1.396 -12.695 -4.961 1.00 0.00 C ATOM 294 ND1 HIS A 20 -2.656 -12.855 -4.424 1.00 0.00 N ATOM 295 CD2 HIS A 20 -0.661 -13.733 -4.497 1.00 0.00 C ATOM 296 CE1 HIS A 20 -2.680 -13.939 -3.677 1.00 0.00 C ATOM 297 NE2 HIS A 20 -1.485 -14.492 -3.702 1.00 0.00 N ATOM 0 H HIS A 20 -0.187 -9.979 -7.574 1.00 0.00 H new ATOM 0 HA HIS A 20 0.149 -12.769 -7.218 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.194 -11.009 -5.423 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.865 -10.868 -5.931 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.379 -13.928 -4.712 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.536 -14.312 -3.135 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.215 -15.345 -3.211 1.00 0.00 H new ATOM 306 N GLY A 21 -2.641 -11.840 -8.659 1.00 0.00 N ATOM 307 CA GLY A 21 -3.815 -12.352 -9.359 1.00 0.00 C ATOM 308 C GLY A 21 -3.957 -11.788 -10.764 1.00 0.00 C ATOM 309 O GLY A 21 -5.054 -11.770 -11.326 1.00 0.00 O ATOM 0 H GLY A 21 -2.494 -10.835 -8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.754 -13.439 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.709 -12.111 -8.784 1.00 0.00 H new ATOM 313 N ASP A 22 -2.844 -11.331 -11.332 1.00 0.00 N ATOM 314 CA ASP A 22 -2.841 -10.710 -12.662 1.00 0.00 C ATOM 315 C ASP A 22 -1.629 -11.186 -13.488 1.00 0.00 C ATOM 316 O ASP A 22 -0.509 -10.712 -13.297 1.00 0.00 O ATOM 317 CB ASP A 22 -2.832 -9.181 -12.522 1.00 0.00 C ATOM 318 CG ASP A 22 -4.003 -8.675 -11.692 1.00 0.00 C ATOM 319 OD1 ASP A 22 -5.096 -8.458 -12.259 1.00 0.00 O ATOM 320 OD2 ASP A 22 -3.850 -8.526 -10.459 1.00 0.00 O ATOM 0 H ASP A 22 -1.925 -11.378 -10.892 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.745 -11.012 -13.190 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.897 -8.865 -12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.867 -8.727 -13.512 1.00 0.00 H new ATOM 325 N PRO A 23 -1.841 -12.133 -14.425 1.00 0.00 N ATOM 326 CA PRO A 23 -0.742 -12.760 -15.189 1.00 0.00 C ATOM 327 C PRO A 23 -0.035 -11.802 -16.170 1.00 0.00 C ATOM 328 O PRO A 23 1.096 -12.055 -16.591 1.00 0.00 O ATOM 329 CB PRO A 23 -1.451 -13.888 -15.953 1.00 0.00 C ATOM 330 CG PRO A 23 -2.862 -13.423 -16.085 1.00 0.00 C ATOM 331 CD PRO A 23 -3.161 -12.669 -14.818 1.00 0.00 C ATOM 0 HA PRO A 23 0.058 -13.093 -14.528 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.995 -14.053 -16.929 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.394 -14.832 -15.410 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.984 -12.784 -16.959 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.542 -14.266 -16.209 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.886 -11.872 -14.985 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.576 -13.321 -14.050 1.00 0.00 H new ATOM 339 N LYS A 24 -0.700 -10.705 -16.530 1.00 0.00 N ATOM 340 CA LYS A 24 -0.139 -9.736 -17.487 1.00 0.00 C ATOM 341 C LYS A 24 0.456 -8.501 -16.783 1.00 0.00 C ATOM 342 O LYS A 24 0.867 -7.540 -17.436 1.00 0.00 O ATOM 343 CB LYS A 24 -1.223 -9.301 -18.487 1.00 0.00 C ATOM 344 CG LYS A 24 -1.743 -10.431 -19.373 1.00 0.00 C ATOM 345 CD LYS A 24 -0.641 -11.023 -20.251 1.00 0.00 C ATOM 346 CE LYS A 24 -1.180 -12.093 -21.201 1.00 0.00 C ATOM 347 NZ LYS A 24 -1.766 -13.257 -20.479 1.00 0.00 N ATOM 0 H LYS A 24 -1.625 -10.460 -16.178 1.00 0.00 H new ATOM 0 HA LYS A 24 0.674 -10.232 -18.017 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.060 -8.872 -17.936 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.821 -8.512 -19.122 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.169 -11.215 -18.747 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.548 -10.055 -20.005 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.172 -10.227 -20.830 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.133 -11.457 -19.618 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.939 -11.651 -21.847 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.374 -12.439 -21.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.024 -13.996 -21.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.069 -13.635 -19.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.616 -12.953 -19.962 1.00 0.00 H new ATOM 361 N ALA A 25 0.509 -8.536 -15.451 1.00 0.00 N ATOM 362 CA ALA A 25 1.043 -7.416 -14.666 1.00 0.00 C ATOM 363 C ALA A 25 2.580 -7.444 -14.606 1.00 0.00 C ATOM 364 O ALA A 25 3.193 -8.503 -14.447 1.00 0.00 O ATOM 365 CB ALA A 25 0.456 -7.435 -13.256 1.00 0.00 C ATOM 0 H ALA A 25 0.189 -9.326 -14.891 1.00 0.00 H new ATOM 0 HA ALA A 25 0.750 -6.492 -15.164 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.859 -6.600 -12.683 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.629 -7.346 -13.312 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.718 -8.372 -12.765 1.00 0.00 H new ATOM 371 N SER A 26 3.197 -6.269 -14.738 1.00 0.00 N ATOM 372 CA SER A 26 4.660 -6.138 -14.651 1.00 0.00 C ATOM 373 C SER A 26 5.150 -6.366 -13.217 1.00 0.00 C ATOM 374 O SER A 26 5.935 -7.279 -12.942 1.00 0.00 O ATOM 375 CB SER A 26 5.106 -4.744 -15.122 1.00 0.00 C ATOM 376 OG SER A 26 4.582 -3.724 -14.279 1.00 0.00 O ATOM 0 H SER A 26 2.708 -5.390 -14.906 1.00 0.00 H new ATOM 0 HA SER A 26 5.097 -6.898 -15.299 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.195 -4.690 -15.128 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.773 -4.580 -16.147 1.00 0.00 H new ATOM 0 HG SER A 26 4.882 -2.848 -14.600 1.00 0.00 H new ATOM 382 N GLY A 27 4.674 -5.525 -12.309 1.00 0.00 N ATOM 383 CA GLY A 27 5.075 -5.602 -10.911 1.00 0.00 C ATOM 384 C GLY A 27 5.140 -4.231 -10.254 1.00 0.00 C ATOM 385 O GLY A 27 4.977 -4.107 -9.044 1.00 0.00 O ATOM 0 H GLY A 27 4.008 -4.780 -12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.370 -6.230 -10.367 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.051 -6.083 -10.841 1.00 0.00 H new ATOM 389 N GLN A 28 5.382 -3.201 -11.065 1.00 0.00 N ATOM 390 CA GLN A 28 5.452 -1.817 -10.576 1.00 0.00 C ATOM 391 C GLN A 28 4.060 -1.162 -10.516 1.00 0.00 C ATOM 392 O GLN A 28 3.883 -0.121 -9.883 1.00 0.00 O ATOM 393 CB GLN A 28 6.384 -0.973 -11.467 1.00 0.00 C ATOM 394 CG GLN A 28 7.850 -1.405 -11.445 1.00 0.00 C ATOM 395 CD GLN A 28 8.090 -2.775 -12.059 1.00 0.00 C ATOM 396 OE1 GLN A 28 7.365 -3.211 -12.948 1.00 0.00 O ATOM 397 NE2 GLN A 28 9.110 -3.467 -11.593 1.00 0.00 N ATOM 0 H GLN A 28 5.534 -3.296 -12.069 1.00 0.00 H new ATOM 0 HA GLN A 28 5.855 -1.853 -9.564 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.021 -1.018 -12.494 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.321 0.068 -11.152 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.446 -0.666 -11.981 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.203 -1.411 -10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.695 -3.078 -10.853 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.315 -4.392 -11.972 1.00 0.00 H new ATOM 406 N GLU A 29 3.082 -1.771 -11.185 1.00 0.00 N ATOM 407 CA GLU A 29 1.707 -1.256 -11.211 1.00 0.00 C ATOM 408 C GLU A 29 0.749 -2.177 -10.438 1.00 0.00 C ATOM 409 O GLU A 29 0.547 -3.333 -10.813 1.00 0.00 O ATOM 410 CB GLU A 29 1.227 -1.115 -12.663 1.00 0.00 C ATOM 411 CG GLU A 29 2.052 -0.134 -13.492 1.00 0.00 C ATOM 412 CD GLU A 29 1.549 -0.004 -14.921 1.00 0.00 C ATOM 413 OE1 GLU A 29 1.820 -0.913 -15.735 1.00 0.00 O ATOM 414 OE2 GLU A 29 0.884 1.009 -15.240 1.00 0.00 O ATOM 0 H GLU A 29 3.215 -2.628 -11.721 1.00 0.00 H new ATOM 0 HA GLU A 29 1.706 -0.279 -10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.255 -2.094 -13.142 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.187 -0.790 -12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.032 0.845 -13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.092 -0.461 -13.506 1.00 0.00 H new ATOM 421 N MET A 30 0.160 -1.663 -9.359 1.00 0.00 N ATOM 422 CA MET A 30 -0.793 -2.437 -8.552 1.00 0.00 C ATOM 423 C MET A 30 -2.240 -1.954 -8.755 1.00 0.00 C ATOM 424 O MET A 30 -2.506 -0.754 -8.839 1.00 0.00 O ATOM 425 CB MET A 30 -0.421 -2.363 -7.063 1.00 0.00 C ATOM 426 CG MET A 30 -1.385 -3.118 -6.152 1.00 0.00 C ATOM 427 SD MET A 30 -0.828 -3.191 -4.438 1.00 0.00 S ATOM 428 CE MET A 30 0.687 -4.130 -4.618 1.00 0.00 C ATOM 0 H MET A 30 0.323 -0.715 -9.020 1.00 0.00 H new ATOM 0 HA MET A 30 -0.735 -3.473 -8.887 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.583 -2.765 -6.928 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.389 -1.317 -6.757 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.363 -2.638 -6.190 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.513 -4.132 -6.530 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.224 -4.140 -3.669 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.449 -5.153 -4.911 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.311 -3.670 -5.384 1.00 0.00 H new ATOM 438 N ASN A 31 -3.169 -2.905 -8.831 1.00 0.00 N ATOM 439 CA ASN A 31 -4.596 -2.599 -8.978 1.00 0.00 C ATOM 440 C ASN A 31 -5.313 -2.594 -7.612 1.00 0.00 C ATOM 441 O ASN A 31 -4.781 -3.093 -6.617 1.00 0.00 O ATOM 442 CB ASN A 31 -5.256 -3.622 -9.913 1.00 0.00 C ATOM 443 CG ASN A 31 -5.009 -5.051 -9.462 1.00 0.00 C ATOM 444 OD1 ASN A 31 -5.711 -5.568 -8.606 1.00 0.00 O ATOM 445 ND2 ASN A 31 -4.014 -5.698 -10.034 1.00 0.00 N ATOM 0 H ASN A 31 -2.959 -3.903 -8.793 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.685 -1.602 -9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.329 -3.436 -9.954 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.871 -3.490 -10.924 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.810 -6.661 -9.765 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.447 -5.236 -10.746 1.00 0.00 H new ATOM 452 N GLY A 32 -6.531 -2.047 -7.581 1.00 0.00 N ATOM 453 CA GLY A 32 -7.287 -1.927 -6.330 1.00 0.00 C ATOM 454 C GLY A 32 -7.603 -3.268 -5.668 1.00 0.00 C ATOM 455 O GLY A 32 -7.716 -3.352 -4.446 1.00 0.00 O ATOM 0 H GLY A 32 -7.013 -1.682 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.720 -1.312 -5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.221 -1.402 -6.530 1.00 0.00 H new ATOM 459 N LYS A 33 -7.753 -4.309 -6.484 1.00 0.00 N ATOM 460 CA LYS A 33 -8.011 -5.672 -5.992 1.00 0.00 C ATOM 461 C LYS A 33 -6.894 -6.154 -5.049 1.00 0.00 C ATOM 462 O LYS A 33 -7.133 -6.436 -3.871 1.00 0.00 O ATOM 463 CB LYS A 33 -8.147 -6.617 -7.196 1.00 0.00 C ATOM 464 CG LYS A 33 -8.148 -8.105 -6.855 1.00 0.00 C ATOM 465 CD LYS A 33 -8.059 -8.957 -8.120 1.00 0.00 C ATOM 466 CE LYS A 33 -6.756 -8.702 -8.874 1.00 0.00 C ATOM 467 NZ LYS A 33 -6.749 -9.326 -10.222 1.00 0.00 N ATOM 0 H LYS A 33 -7.701 -4.239 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.937 -5.670 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.072 -6.380 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.328 -6.419 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.307 -8.332 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.056 -8.355 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.127 -10.012 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.906 -8.736 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.602 -7.628 -8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.921 -9.092 -8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.346 -8.659 -10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.173 -10.192 -10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.723 -9.565 -10.499 1.00 0.00 H new ATOM 481 N ASN A 34 -5.669 -6.234 -5.565 1.00 0.00 N ATOM 482 CA ASN A 34 -4.530 -6.698 -4.765 1.00 0.00 C ATOM 483 C ASN A 34 -4.169 -5.692 -3.658 1.00 0.00 C ATOM 484 O ASN A 34 -3.706 -6.081 -2.589 1.00 0.00 O ATOM 485 CB ASN A 34 -3.315 -6.965 -5.656 1.00 0.00 C ATOM 486 CG ASN A 34 -3.620 -7.964 -6.761 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.472 -8.835 -6.613 1.00 0.00 O ATOM 488 ND2 ASN A 34 -2.906 -7.871 -7.865 1.00 0.00 N ATOM 0 H ASN A 34 -5.437 -5.986 -6.527 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.826 -7.631 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.979 -6.028 -6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.494 -7.341 -5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.055 -8.534 -8.626 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.205 -7.136 -7.959 1.00 0.00 H new ATOM 495 N TRP A 35 -4.382 -4.400 -3.925 1.00 0.00 N ATOM 496 CA TRP A 35 -4.182 -3.344 -2.917 1.00 0.00 C ATOM 497 C TRP A 35 -5.128 -3.532 -1.715 1.00 0.00 C ATOM 498 O TRP A 35 -4.738 -3.324 -0.560 1.00 0.00 O ATOM 499 CB TRP A 35 -4.382 -1.963 -3.570 1.00 0.00 C ATOM 500 CG TRP A 35 -4.572 -0.825 -2.600 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.664 -0.010 -2.517 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.655 -0.368 -1.590 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.489 0.918 -1.523 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.267 0.721 -0.937 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.382 -0.771 -1.171 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.653 1.405 0.108 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.775 -0.089 -0.132 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.410 0.989 0.497 1.00 0.00 C ATOM 0 H TRP A 35 -4.694 -4.055 -4.833 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.163 -3.411 -2.537 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.518 -1.746 -4.198 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.250 -2.010 -4.227 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.540 -0.085 -3.144 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.161 1.639 -1.262 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.882 -1.600 -1.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.142 2.236 0.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.793 -0.393 0.200 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.908 1.501 1.305 1.00 0.00 H new ATOM 519 N ALA A 36 -6.366 -3.940 -1.992 1.00 0.00 N ATOM 520 CA ALA A 36 -7.333 -4.240 -0.936 1.00 0.00 C ATOM 521 C ALA A 36 -6.838 -5.391 -0.052 1.00 0.00 C ATOM 522 O ALA A 36 -6.839 -5.293 1.178 1.00 0.00 O ATOM 523 CB ALA A 36 -8.690 -4.578 -1.543 1.00 0.00 C ATOM 0 H ALA A 36 -6.723 -4.070 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.441 -3.355 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.400 -4.799 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.050 -3.729 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.591 -5.448 -2.193 1.00 0.00 H new ATOM 529 N LYS A 37 -6.401 -6.481 -0.686 1.00 0.00 N ATOM 530 CA LYS A 37 -5.846 -7.618 0.042 1.00 0.00 C ATOM 531 C LYS A 37 -4.507 -7.273 0.712 1.00 0.00 C ATOM 532 O LYS A 37 -4.177 -7.823 1.756 1.00 0.00 O ATOM 533 CB LYS A 37 -5.674 -8.824 -0.890 1.00 0.00 C ATOM 534 CG LYS A 37 -6.971 -9.579 -1.161 1.00 0.00 C ATOM 535 CD LYS A 37 -6.725 -10.896 -1.894 1.00 0.00 C ATOM 536 CE LYS A 37 -5.749 -11.799 -1.140 1.00 0.00 C ATOM 537 NZ LYS A 37 -6.179 -12.058 0.262 1.00 0.00 N ATOM 0 H LYS A 37 -6.422 -6.598 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.555 -7.873 0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.258 -8.483 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.949 -9.510 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.478 -9.779 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.637 -8.953 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.672 -11.418 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.332 -10.689 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.654 -12.747 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.762 -11.337 -1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.812 -12.980 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.808 -11.310 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.218 -12.065 0.311 1.00 0.00 H new ATOM 551 N LEU A 38 -3.740 -6.364 0.118 1.00 0.00 N ATOM 552 CA LEU A 38 -2.467 -5.938 0.711 1.00 0.00 C ATOM 553 C LEU A 38 -2.698 -5.399 2.129 1.00 0.00 C ATOM 554 O LEU A 38 -1.992 -5.764 3.068 1.00 0.00 O ATOM 555 CB LEU A 38 -1.788 -4.883 -0.187 1.00 0.00 C ATOM 556 CG LEU A 38 -0.309 -4.563 0.128 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.347 -3.856 -1.055 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.176 -3.708 1.387 1.00 0.00 C ATOM 0 H LEU A 38 -3.970 -5.909 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.800 -6.797 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.852 -5.222 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.360 -3.958 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 38 0.201 -5.509 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.388 -3.638 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.303 -4.500 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.181 -2.925 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.877 -3.503 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.709 -2.768 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.601 -4.243 2.236 1.00 0.00 H new ATOM 570 N CYS A 39 -3.704 -4.543 2.277 1.00 0.00 N ATOM 571 CA CYS A 39 -4.079 -4.005 3.589 1.00 0.00 C ATOM 572 C CYS A 39 -4.584 -5.113 4.534 1.00 0.00 C ATOM 573 O CYS A 39 -4.194 -5.179 5.704 1.00 0.00 O ATOM 574 CB CYS A 39 -5.161 -2.926 3.427 1.00 0.00 C ATOM 575 SG CYS A 39 -4.649 -1.508 2.425 1.00 0.00 S ATOM 0 H CYS A 39 -4.278 -4.204 1.505 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.187 -3.564 4.034 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.044 -3.377 2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.456 -2.571 4.415 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.555 -1.868 1.179 1.00 0.00 H new ATOM 581 N LYS A 40 -5.441 -5.987 4.013 1.00 0.00 N ATOM 582 CA LYS A 40 -6.048 -7.060 4.814 1.00 0.00 C ATOM 583 C LYS A 40 -5.018 -8.119 5.248 1.00 0.00 C ATOM 584 O LYS A 40 -4.843 -8.376 6.439 1.00 0.00 O ATOM 585 CB LYS A 40 -7.180 -7.724 4.020 1.00 0.00 C ATOM 586 CG LYS A 40 -7.882 -8.859 4.763 1.00 0.00 C ATOM 587 CD LYS A 40 -9.030 -9.442 3.943 1.00 0.00 C ATOM 588 CE LYS A 40 -9.720 -10.587 4.672 1.00 0.00 C ATOM 589 NZ LYS A 40 -10.861 -11.128 3.893 1.00 0.00 N ATOM 0 H LYS A 40 -5.735 -5.977 3.036 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.447 -6.606 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.918 -6.966 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.774 -8.112 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.162 -9.645 4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.265 -8.490 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.756 -8.659 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.649 -9.797 2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.000 -11.383 4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.075 -10.239 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.305 -11.906 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.560 -10.375 3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.519 -11.483 2.977 1.00 0.00 H new ATOM 603 N ASP A 41 -4.356 -8.736 4.273 1.00 0.00 N ATOM 604 CA ASP A 41 -3.326 -9.752 4.528 1.00 0.00 C ATOM 605 C ASP A 41 -2.144 -9.195 5.356 1.00 0.00 C ATOM 606 O ASP A 41 -1.420 -9.953 6.006 1.00 0.00 O ATOM 607 CB ASP A 41 -2.822 -10.326 3.193 1.00 0.00 C ATOM 608 CG ASP A 41 -3.900 -11.103 2.440 1.00 0.00 C ATOM 609 OD1 ASP A 41 -5.017 -10.569 2.252 1.00 0.00 O ATOM 610 OD2 ASP A 41 -3.644 -12.262 2.042 1.00 0.00 O ATOM 0 H ASP A 41 -4.515 -8.549 3.283 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.783 -10.545 5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.462 -9.511 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.972 -10.982 3.382 1.00 0.00 H new ATOM 615 N CYS A 42 -1.933 -7.874 5.314 1.00 0.00 N ATOM 616 CA CYS A 42 -0.922 -7.227 6.173 1.00 0.00 C ATOM 617 C CYS A 42 -1.553 -6.661 7.457 1.00 0.00 C ATOM 618 O CYS A 42 -0.848 -6.157 8.330 1.00 0.00 O ATOM 619 CB CYS A 42 -0.180 -6.117 5.419 1.00 0.00 C ATOM 620 SG CYS A 42 0.691 -6.694 3.940 1.00 0.00 S ATOM 0 H CYS A 42 -2.440 -7.234 4.703 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.203 -7.996 6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.895 -5.346 5.131 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.538 -5.650 6.093 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.078 -6.553 2.901 1.00 0.00 H new ATOM 626 N LYS A 43 -2.887 -6.740 7.550 1.00 0.00 N ATOM 627 CA LYS A 43 -3.633 -6.374 8.765 1.00 0.00 C ATOM 628 C LYS A 43 -3.475 -4.891 9.147 1.00 0.00 C ATOM 629 O LYS A 43 -3.587 -4.521 10.321 1.00 0.00 O ATOM 630 CB LYS A 43 -3.196 -7.289 9.910 1.00 0.00 C ATOM 631 CG LYS A 43 -3.337 -8.765 9.557 1.00 0.00 C ATOM 632 CD LYS A 43 -2.701 -9.670 10.597 1.00 0.00 C ATOM 633 CE LYS A 43 -3.403 -9.573 11.945 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.792 -10.472 12.958 1.00 0.00 N ATOM 0 H LYS A 43 -3.481 -7.060 6.785 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.695 -6.512 8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.158 -7.077 10.166 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.794 -7.071 10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.394 -9.014 9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.876 -8.950 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.731 -10.702 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.651 -9.404 10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.362 -8.544 12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.456 -9.826 11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.300 -10.374 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.854 -11.457 12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.794 -10.215 13.093 1.00 0.00 H new ATOM 648 N VAL A 44 -3.254 -4.045 8.144 1.00 0.00 N ATOM 649 CA VAL A 44 -3.131 -2.598 8.355 1.00 0.00 C ATOM 650 C VAL A 44 -4.512 -1.934 8.526 1.00 0.00 C ATOM 651 O VAL A 44 -4.658 -0.963 9.269 1.00 0.00 O ATOM 652 CB VAL A 44 -2.382 -1.924 7.175 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.164 -0.434 7.441 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.050 -2.627 6.906 1.00 0.00 C ATOM 0 H VAL A 44 -3.155 -4.335 7.171 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.557 -2.458 9.271 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.004 -2.018 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.637 0.013 6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.128 0.058 7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.571 -0.309 8.347 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.542 -2.138 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.424 -2.573 7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.234 -3.672 6.655 1.00 0.00 H new ATOM 664 N ALA A 45 -5.523 -2.472 7.839 1.00 0.00 N ATOM 665 CA ALA A 45 -6.882 -1.914 7.880 1.00 0.00 C ATOM 666 C ALA A 45 -7.736 -2.562 8.986 1.00 0.00 C ATOM 667 O ALA A 45 -8.222 -3.685 8.833 1.00 0.00 O ATOM 668 CB ALA A 45 -7.560 -2.080 6.522 1.00 0.00 C ATOM 0 H ALA A 45 -5.428 -3.296 7.245 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.796 -0.853 8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.566 -1.663 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.982 -1.557 5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.616 -3.139 6.271 1.00 0.00 H new ATOM 674 N ASP A 46 -7.908 -1.851 10.097 1.00 0.00 N ATOM 675 CA ASP A 46 -8.701 -2.351 11.233 1.00 0.00 C ATOM 676 C ASP A 46 -10.209 -2.233 10.968 1.00 0.00 C ATOM 677 O ASP A 46 -10.985 -3.159 11.216 1.00 0.00 O ATOM 678 CB ASP A 46 -8.384 -1.537 12.497 1.00 0.00 C ATOM 679 CG ASP A 46 -6.907 -1.277 12.688 1.00 0.00 C ATOM 680 OD1 ASP A 46 -6.333 -0.538 11.871 1.00 0.00 O ATOM 681 OD2 ASP A 46 -6.331 -1.774 13.677 1.00 0.00 O ATOM 0 H ASP A 46 -7.510 -0.923 10.242 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.438 -3.400 11.367 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.910 -0.584 12.448 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.768 -2.068 13.368 1.00 0.00 H new ATOM 686 N GLY A 47 -10.604 -1.078 10.450 1.00 0.00 N ATOM 687 CA GLY A 47 -12.001 -0.667 10.467 1.00 0.00 C ATOM 688 C GLY A 47 -12.218 0.457 11.474 1.00 0.00 C ATOM 689 O GLY A 47 -12.988 1.386 11.237 1.00 0.00 O ATOM 0 H GLY A 47 -9.974 -0.407 10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.300 -0.335 9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.633 -1.518 10.722 1.00 0.00 H new ATOM 693 N LYS A 48 -11.507 0.353 12.603 1.00 0.00 N ATOM 694 CA LYS A 48 -11.458 1.400 13.635 1.00 0.00 C ATOM 695 C LYS A 48 -11.313 2.810 13.028 1.00 0.00 C ATOM 696 O LYS A 48 -12.128 3.695 13.289 1.00 0.00 O ATOM 697 CB LYS A 48 -10.281 1.097 14.581 1.00 0.00 C ATOM 698 CG LYS A 48 -9.936 2.217 15.560 1.00 0.00 C ATOM 699 CD LYS A 48 -8.816 1.821 16.533 1.00 0.00 C ATOM 700 CE LYS A 48 -7.545 1.337 15.821 1.00 0.00 C ATOM 701 NZ LYS A 48 -7.544 -0.138 15.597 1.00 0.00 N ATOM 0 H LYS A 48 -10.944 -0.467 12.830 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.400 1.393 14.184 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.514 0.197 15.150 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.399 0.875 13.980 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.632 3.103 15.002 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.827 2.487 16.127 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.570 2.676 17.162 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.178 1.033 17.194 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.453 1.847 14.862 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.673 1.612 16.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.698 -0.406 15.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.537 -0.628 16.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.396 -0.409 15.066 1.00 0.00 H new ATOM 715 N SER A 49 -10.271 3.010 12.223 1.00 0.00 N ATOM 716 CA SER A 49 -10.032 4.306 11.559 1.00 0.00 C ATOM 717 C SER A 49 -9.884 4.148 10.040 1.00 0.00 C ATOM 718 O SER A 49 -9.708 5.130 9.316 1.00 0.00 O ATOM 719 CB SER A 49 -8.765 4.959 12.128 1.00 0.00 C ATOM 720 OG SER A 49 -7.631 4.126 11.940 1.00 0.00 O ATOM 0 H SER A 49 -9.574 2.296 12.010 1.00 0.00 H new ATOM 0 HA SER A 49 -10.898 4.939 11.752 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.598 5.920 11.642 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.901 5.158 13.191 1.00 0.00 H new ATOM 0 HG SER A 49 -6.843 4.681 11.761 1.00 0.00 H new ATOM 726 N VAL A 50 -9.971 2.909 9.559 1.00 0.00 N ATOM 727 CA VAL A 50 -9.737 2.607 8.143 1.00 0.00 C ATOM 728 C VAL A 50 -10.426 1.297 7.714 1.00 0.00 C ATOM 729 O VAL A 50 -10.053 0.209 8.153 1.00 0.00 O ATOM 730 CB VAL A 50 -8.213 2.537 7.840 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.501 1.578 8.797 1.00 0.00 C ATOM 732 CG2 VAL A 50 -7.956 2.145 6.383 1.00 0.00 C ATOM 0 H VAL A 50 -10.202 2.095 10.128 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.176 3.419 7.563 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.801 3.534 7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.437 1.551 8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.636 1.921 9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.922 0.578 8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.882 2.104 6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.395 1.167 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.408 2.885 5.722 1.00 0.00 H new ATOM 742 N THR A 51 -11.446 1.419 6.867 1.00 0.00 N ATOM 743 CA THR A 51 -12.186 0.257 6.344 1.00 0.00 C ATOM 744 C THR A 51 -11.828 -0.011 4.878 1.00 0.00 C ATOM 745 O THR A 51 -10.986 0.680 4.301 1.00 0.00 O ATOM 746 CB THR A 51 -13.718 0.476 6.425 1.00 0.00 C ATOM 747 OG1 THR A 51 -14.104 1.567 5.571 1.00 0.00 O ATOM 748 CG2 THR A 51 -14.159 0.764 7.854 1.00 0.00 C ATOM 0 H THR A 51 -11.786 2.316 6.522 1.00 0.00 H new ATOM 0 HA THR A 51 -11.901 -0.594 6.963 1.00 0.00 H new ATOM 0 HB THR A 51 -14.207 -0.440 6.093 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.555 2.353 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.238 0.913 7.879 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.894 -0.078 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.660 1.664 8.214 1.00 0.00 H new ATOM 756 N GLY A 52 -12.471 -1.015 4.277 1.00 0.00 N ATOM 757 CA GLY A 52 -12.276 -1.284 2.856 1.00 0.00 C ATOM 758 C GLY A 52 -12.568 -0.066 1.985 1.00 0.00 C ATOM 759 O GLY A 52 -11.868 0.197 1.004 1.00 0.00 O ATOM 0 H GLY A 52 -13.121 -1.645 4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.249 -1.608 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.924 -2.107 2.553 1.00 0.00 H new ATOM 763 N THR A 53 -13.601 0.690 2.356 1.00 0.00 N ATOM 764 CA THR A 53 -13.946 1.924 1.648 1.00 0.00 C ATOM 765 C THR A 53 -12.764 2.898 1.654 1.00 0.00 C ATOM 766 O THR A 53 -12.360 3.401 0.607 1.00 0.00 O ATOM 767 CB THR A 53 -15.187 2.614 2.271 1.00 0.00 C ATOM 768 OG1 THR A 53 -16.311 1.718 2.256 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.550 3.889 1.518 1.00 0.00 C ATOM 0 H THR A 53 -14.213 0.471 3.142 1.00 0.00 H new ATOM 0 HA THR A 53 -14.185 1.649 0.621 1.00 0.00 H new ATOM 0 HB THR A 53 -14.938 2.877 3.299 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.089 2.162 2.653 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.424 4.348 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.712 4.585 1.556 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.774 3.647 0.479 1.00 0.00 H new ATOM 777 N ASP A 54 -12.189 3.133 2.841 1.00 0.00 N ATOM 778 CA ASP A 54 -10.993 3.976 2.972 1.00 0.00 C ATOM 779 C ASP A 54 -9.867 3.494 2.044 1.00 0.00 C ATOM 780 O ASP A 54 -9.148 4.297 1.450 1.00 0.00 O ATOM 781 CB ASP A 54 -10.497 3.983 4.422 1.00 0.00 C ATOM 782 CG ASP A 54 -11.469 4.659 5.368 1.00 0.00 C ATOM 783 OD1 ASP A 54 -12.393 3.985 5.865 1.00 0.00 O ATOM 784 OD2 ASP A 54 -11.309 5.869 5.625 1.00 0.00 O ATOM 0 H ASP A 54 -12.532 2.752 3.723 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.271 4.989 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.331 2.957 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.535 4.493 4.470 1.00 0.00 H new ATOM 789 N VAL A 55 -9.731 2.175 1.921 1.00 0.00 N ATOM 790 CA VAL A 55 -8.722 1.573 1.044 1.00 0.00 C ATOM 791 C VAL A 55 -8.918 2.005 -0.423 1.00 0.00 C ATOM 792 O VAL A 55 -7.944 2.290 -1.129 1.00 0.00 O ATOM 793 CB VAL A 55 -8.746 0.022 1.142 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.726 -0.609 0.198 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.499 -0.425 2.582 1.00 0.00 C ATOM 0 H VAL A 55 -10.309 1.498 2.419 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.750 1.932 1.383 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.735 -0.320 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.768 -1.694 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.955 -0.323 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.726 -0.261 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.519 -1.514 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.525 -0.064 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.276 -0.017 3.228 1.00 0.00 H new ATOM 805 N ASP A 56 -10.177 2.086 -0.873 1.00 0.00 N ATOM 806 CA ASP A 56 -10.469 2.497 -2.256 1.00 0.00 C ATOM 807 C ASP A 56 -10.296 4.016 -2.415 1.00 0.00 C ATOM 808 O ASP A 56 -9.874 4.510 -3.465 1.00 0.00 O ATOM 809 CB ASP A 56 -11.890 2.087 -2.660 1.00 0.00 C ATOM 810 CG ASP A 56 -12.075 0.579 -2.706 1.00 0.00 C ATOM 811 OD1 ASP A 56 -11.593 -0.061 -3.667 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.733 0.026 -1.800 1.00 0.00 O ATOM 0 H ASP A 56 -11.001 1.876 -0.310 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.762 1.990 -2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.602 2.515 -1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.120 2.507 -3.639 1.00 0.00 H new ATOM 817 N ILE A 57 -10.624 4.742 -1.353 1.00 0.00 N ATOM 818 CA ILE A 57 -10.440 6.193 -1.298 1.00 0.00 C ATOM 819 C ILE A 57 -8.967 6.570 -1.502 1.00 0.00 C ATOM 820 O ILE A 57 -8.635 7.377 -2.370 1.00 0.00 O ATOM 821 CB ILE A 57 -10.925 6.737 0.065 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.399 6.349 0.290 1.00 0.00 C ATOM 823 CG2 ILE A 57 -10.730 8.253 0.152 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.398 7.210 -0.458 1.00 0.00 C ATOM 0 H ILE A 57 -11.025 4.344 -0.504 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.028 6.637 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.325 6.287 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.538 5.310 -0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.617 6.405 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.079 8.610 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.672 8.491 0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.299 8.739 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.409 6.866 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.292 8.248 -0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.212 7.136 -1.529 1.00 0.00 H new ATOM 836 N VAL A 58 -8.090 5.967 -0.702 1.00 0.00 N ATOM 837 CA VAL A 58 -6.648 6.204 -0.814 1.00 0.00 C ATOM 838 C VAL A 58 -6.119 5.785 -2.196 1.00 0.00 C ATOM 839 O VAL A 58 -5.320 6.495 -2.811 1.00 0.00 O ATOM 840 CB VAL A 58 -5.871 5.450 0.288 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.378 5.740 0.193 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.407 5.819 1.669 1.00 0.00 C ATOM 0 H VAL A 58 -8.351 5.309 0.033 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.489 7.275 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.017 4.380 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.851 5.198 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.006 5.420 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.207 6.810 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.848 5.278 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.295 6.891 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.462 5.551 1.734 1.00 0.00 H new ATOM 852 N PHE A 59 -6.585 4.635 -2.684 1.00 0.00 N ATOM 853 CA PHE A 59 -6.241 4.161 -4.031 1.00 0.00 C ATOM 854 C PHE A 59 -6.588 5.213 -5.099 1.00 0.00 C ATOM 855 O PHE A 59 -5.830 5.434 -6.047 1.00 0.00 O ATOM 856 CB PHE A 59 -6.978 2.845 -4.325 1.00 0.00 C ATOM 857 CG PHE A 59 -6.719 2.280 -5.704 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.486 1.725 -6.022 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.709 2.301 -6.678 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.249 1.205 -7.283 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.476 1.782 -7.937 1.00 0.00 C ATOM 862 CZ PHE A 59 -6.245 1.233 -8.240 1.00 0.00 C ATOM 0 H PHE A 59 -7.204 4.010 -2.167 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.165 3.989 -4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.685 2.104 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.049 3.008 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.704 1.699 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.674 2.729 -6.448 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.286 0.777 -7.519 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.256 1.805 -8.684 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.062 0.826 -9.224 1.00 0.00 H new ATOM 872 N SER A 60 -7.738 5.858 -4.928 1.00 0.00 N ATOM 873 CA SER A 60 -8.190 6.920 -5.841 1.00 0.00 C ATOM 874 C SER A 60 -7.469 8.248 -5.557 1.00 0.00 C ATOM 875 O SER A 60 -7.269 9.069 -6.453 1.00 0.00 O ATOM 876 CB SER A 60 -9.707 7.124 -5.707 1.00 0.00 C ATOM 877 OG SER A 60 -10.423 5.935 -6.017 1.00 0.00 O ATOM 0 H SER A 60 -8.383 5.667 -4.161 1.00 0.00 H new ATOM 0 HA SER A 60 -7.949 6.607 -6.857 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.944 7.438 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.027 7.926 -6.372 1.00 0.00 H new ATOM 0 HG SER A 60 -10.371 5.315 -5.260 1.00 0.00 H new ATOM 883 N LYS A 61 -7.080 8.442 -4.301 1.00 0.00 N ATOM 884 CA LYS A 61 -6.413 9.670 -3.852 1.00 0.00 C ATOM 885 C LYS A 61 -4.990 9.795 -4.429 1.00 0.00 C ATOM 886 O LYS A 61 -4.662 10.774 -5.106 1.00 0.00 O ATOM 887 CB LYS A 61 -6.354 9.669 -2.316 1.00 0.00 C ATOM 888 CG LYS A 61 -5.728 10.914 -1.695 1.00 0.00 C ATOM 889 CD LYS A 61 -6.567 12.162 -1.950 1.00 0.00 C ATOM 890 CE LYS A 61 -6.071 13.343 -1.125 1.00 0.00 C ATOM 891 NZ LYS A 61 -6.884 14.567 -1.346 1.00 0.00 N ATOM 0 H LYS A 61 -7.216 7.754 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.986 10.524 -4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.367 9.558 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.790 8.795 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.615 10.766 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.728 11.059 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.532 12.416 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.609 11.958 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.095 13.080 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.031 13.549 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.509 15.343 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.841 14.835 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.872 14.381 -1.079 1.00 0.00 H new ATOM 905 N VAL A 62 -4.158 8.789 -4.170 1.00 0.00 N ATOM 906 CA VAL A 62 -2.736 8.835 -4.537 1.00 0.00 C ATOM 907 C VAL A 62 -2.504 8.878 -6.059 1.00 0.00 C ATOM 908 O VAL A 62 -1.567 9.521 -6.527 1.00 0.00 O ATOM 909 CB VAL A 62 -1.965 7.638 -3.929 1.00 0.00 C ATOM 910 CG1 VAL A 62 -2.050 7.670 -2.405 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.497 6.311 -4.473 1.00 0.00 C ATOM 0 H VAL A 62 -4.441 7.926 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.353 9.767 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.918 7.723 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.503 6.822 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.613 8.598 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.094 7.613 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.939 5.486 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.553 6.211 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.379 6.289 -5.556 1.00 0.00 H new ATOM 921 N LYS A 63 -3.366 8.207 -6.826 1.00 0.00 N ATOM 922 CA LYS A 63 -3.237 8.179 -8.294 1.00 0.00 C ATOM 923 C LYS A 63 -3.464 9.569 -8.918 1.00 0.00 C ATOM 924 O LYS A 63 -3.040 9.831 -10.044 1.00 0.00 O ATOM 925 CB LYS A 63 -4.234 7.182 -8.904 1.00 0.00 C ATOM 926 CG LYS A 63 -5.691 7.507 -8.591 1.00 0.00 C ATOM 927 CD LYS A 63 -6.684 6.662 -9.395 1.00 0.00 C ATOM 928 CE LYS A 63 -6.634 5.175 -9.039 1.00 0.00 C ATOM 929 NZ LYS A 63 -5.345 4.532 -9.422 1.00 0.00 N ATOM 0 H LYS A 63 -4.158 7.677 -6.463 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.217 7.865 -8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.099 7.162 -9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.006 6.182 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.870 7.353 -7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.873 8.562 -8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.693 7.037 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.476 6.782 -10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.789 5.058 -7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.454 4.659 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.520 3.548 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.919 5.054 -10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.696 4.545 -8.610 1.00 0.00 H new ATOM 943 N GLY A 64 -4.157 10.442 -8.184 1.00 0.00 N ATOM 944 CA GLY A 64 -4.460 11.782 -8.684 1.00 0.00 C ATOM 945 C GLY A 64 -5.368 11.771 -9.914 1.00 0.00 C ATOM 946 O GLY A 64 -5.354 12.714 -10.710 1.00 0.00 O ATOM 0 H GLY A 64 -4.516 10.247 -7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.937 12.360 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.528 12.290 -8.932 1.00 0.00 H new ATOM 950 N LYS A 65 -6.167 10.702 -10.050 1.00 0.00 N ATOM 951 CA LYS A 65 -7.054 10.499 -11.212 1.00 0.00 C ATOM 952 C LYS A 65 -6.257 10.230 -12.503 1.00 0.00 C ATOM 953 O LYS A 65 -5.037 10.398 -12.538 1.00 0.00 O ATOM 954 CB LYS A 65 -8.000 11.698 -11.390 1.00 0.00 C ATOM 955 CG LYS A 65 -8.983 11.867 -10.235 1.00 0.00 C ATOM 956 CD LYS A 65 -9.852 13.122 -10.368 1.00 0.00 C ATOM 957 CE LYS A 65 -10.782 13.081 -11.583 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.064 13.311 -12.868 1.00 0.00 N ATOM 0 H LYS A 65 -6.219 9.953 -9.360 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.655 9.612 -11.013 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.408 12.608 -11.490 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.558 11.577 -12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.627 10.989 -10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.429 11.913 -9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.450 13.241 -9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.207 13.998 -10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.282 12.113 -11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.559 13.837 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.577 14.020 -13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.102 13.655 -12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.011 12.419 -13.400 1.00 0.00 H new ATOM 972 N SER A 66 -6.961 9.785 -13.550 1.00 0.00 N ATOM 973 CA SER A 66 -6.349 9.436 -14.853 1.00 0.00 C ATOM 974 C SER A 66 -5.543 8.122 -14.789 1.00 0.00 C ATOM 975 O SER A 66 -5.677 7.258 -15.658 1.00 0.00 O ATOM 976 CB SER A 66 -5.462 10.577 -15.388 1.00 0.00 C ATOM 977 OG SER A 66 -6.219 11.760 -15.608 1.00 0.00 O ATOM 0 H SER A 66 -7.972 9.654 -13.526 1.00 0.00 H new ATOM 0 HA SER A 66 -7.176 9.286 -15.546 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.661 10.782 -14.677 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.989 10.267 -16.320 1.00 0.00 H new ATOM 0 HG SER A 66 -5.630 12.467 -15.945 1.00 0.00 H new ATOM 983 N ALA A 67 -4.691 7.985 -13.780 1.00 0.00 N ATOM 984 CA ALA A 67 -3.943 6.743 -13.549 1.00 0.00 C ATOM 985 C ALA A 67 -4.850 5.650 -12.962 1.00 0.00 C ATOM 986 O ALA A 67 -5.237 5.725 -11.798 1.00 0.00 O ATOM 987 CB ALA A 67 -2.773 7.016 -12.609 1.00 0.00 C ATOM 0 H ALA A 67 -4.496 8.721 -13.101 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.564 6.386 -14.507 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.220 6.092 -12.439 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.112 7.758 -13.057 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.150 7.393 -11.658 1.00 0.00 H new ATOM 993 N ARG A 68 -5.192 4.635 -13.758 1.00 0.00 N ATOM 994 CA ARG A 68 -6.103 3.569 -13.301 1.00 0.00 C ATOM 995 C ARG A 68 -5.501 2.788 -12.120 1.00 0.00 C ATOM 996 O ARG A 68 -6.146 2.586 -11.088 1.00 0.00 O ATOM 997 CB ARG A 68 -6.435 2.611 -14.455 1.00 0.00 C ATOM 998 CG ARG A 68 -7.561 1.626 -14.143 1.00 0.00 C ATOM 999 CD ARG A 68 -7.882 0.735 -15.339 1.00 0.00 C ATOM 1000 NE ARG A 68 -9.088 -0.065 -15.124 1.00 0.00 N ATOM 1001 CZ ARG A 68 -9.466 -1.046 -15.900 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -8.749 -1.399 -16.918 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -10.565 -1.685 -15.647 1.00 0.00 N ATOM 0 H ARG A 68 -4.858 4.524 -14.715 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.023 4.043 -12.960 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.712 3.197 -15.331 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.538 2.050 -14.717 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.276 1.005 -13.294 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.455 2.177 -13.850 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.012 1.354 -16.227 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.038 0.073 -15.533 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.671 0.157 -14.317 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.878 -0.910 -17.122 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.055 -2.166 -17.516 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.134 -1.422 -14.843 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.861 -2.451 -16.252 1.00 0.00 H new ATOM 1017 N VAL A 69 -4.254 2.377 -12.274 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.526 1.656 -11.222 1.00 0.00 C ATOM 1019 C VAL A 69 -2.707 2.625 -10.343 1.00 0.00 C ATOM 1020 O VAL A 69 -2.943 3.835 -10.358 1.00 0.00 O ATOM 1021 CB VAL A 69 -2.581 0.598 -11.851 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.381 -0.464 -12.609 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -1.559 1.270 -12.770 1.00 0.00 C ATOM 0 H VAL A 69 -3.712 2.529 -13.125 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.262 1.157 -10.591 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.041 0.100 -11.046 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.697 -1.195 -13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.062 -0.966 -11.922 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.954 0.012 -13.405 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.905 0.513 -13.202 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.080 1.798 -13.569 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.963 1.979 -12.195 1.00 0.00 H new ATOM 1033 N ILE A 70 -1.787 2.081 -9.544 1.00 0.00 N ATOM 1034 CA ILE A 70 -0.848 2.896 -8.749 1.00 0.00 C ATOM 1035 C ILE A 70 0.586 2.345 -8.849 1.00 0.00 C ATOM 1036 O ILE A 70 0.785 1.129 -8.937 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.260 2.969 -7.252 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.390 1.556 -6.650 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.560 3.757 -7.090 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.720 1.545 -5.170 1.00 0.00 C ATOM 0 H ILE A 70 -1.667 1.075 -9.426 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.883 3.902 -9.168 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.476 3.494 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.166 1.012 -7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.456 1.018 -6.808 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.832 3.797 -6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.421 4.770 -7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.355 3.266 -7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.795 0.515 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.933 2.059 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.670 2.053 -5.005 1.00 0.00 H new ATOM 1052 N ASN A 71 1.577 3.240 -8.850 1.00 0.00 N ATOM 1053 CA ASN A 71 2.990 2.839 -8.921 1.00 0.00 C ATOM 1054 C ASN A 71 3.644 2.816 -7.523 1.00 0.00 C ATOM 1055 O ASN A 71 2.995 3.112 -6.517 1.00 0.00 O ATOM 1056 CB ASN A 71 3.766 3.762 -9.885 1.00 0.00 C ATOM 1057 CG ASN A 71 3.952 5.183 -9.369 1.00 0.00 C ATOM 1058 OD1 ASN A 71 4.161 5.410 -8.188 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.883 6.155 -10.256 1.00 0.00 N ATOM 0 H ASN A 71 1.430 4.248 -8.803 1.00 0.00 H new ATOM 0 HA ASN A 71 3.031 1.823 -9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.746 3.326 -10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.239 3.799 -10.839 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.005 7.124 -9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.707 5.939 -11.237 1.00 0.00 H new ATOM 1066 N TYR A 72 4.935 2.473 -7.464 1.00 0.00 N ATOM 1067 CA TYR A 72 5.646 2.315 -6.183 1.00 0.00 C ATOM 1068 C TYR A 72 5.611 3.589 -5.308 1.00 0.00 C ATOM 1069 O TYR A 72 5.393 3.506 -4.095 1.00 0.00 O ATOM 1070 CB TYR A 72 7.102 1.890 -6.433 1.00 0.00 C ATOM 1071 CG TYR A 72 7.873 1.545 -5.166 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.689 0.322 -4.529 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.779 2.443 -4.605 1.00 0.00 C ATOM 1074 CE1 TYR A 72 8.382 0.005 -3.376 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.477 2.130 -3.453 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.274 0.910 -2.843 1.00 0.00 C ATOM 1077 OH TYR A 72 9.970 0.590 -1.694 1.00 0.00 O ATOM 0 H TYR A 72 5.512 2.299 -8.287 1.00 0.00 H new ATOM 0 HA TYR A 72 5.121 1.537 -5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.108 1.025 -7.097 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.620 2.695 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.992 -0.392 -4.943 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.939 3.400 -5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.225 -0.949 -2.894 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.177 2.837 -3.033 1.00 0.00 H new ATOM 0 HH TYR A 72 10.559 1.335 -1.450 1.00 0.00 H new ATOM 1087 N GLU A 73 5.823 4.768 -5.901 1.00 0.00 N ATOM 1088 CA GLU A 73 5.878 6.007 -5.108 1.00 0.00 C ATOM 1089 C GLU A 73 4.470 6.530 -4.761 1.00 0.00 C ATOM 1090 O GLU A 73 4.275 7.170 -3.726 1.00 0.00 O ATOM 1091 CB GLU A 73 6.714 7.085 -5.813 1.00 0.00 C ATOM 1092 CG GLU A 73 6.107 7.645 -7.088 1.00 0.00 C ATOM 1093 CD GLU A 73 7.059 8.595 -7.795 1.00 0.00 C ATOM 1094 OE1 GLU A 73 7.344 9.682 -7.238 1.00 0.00 O ATOM 1095 OE2 GLU A 73 7.550 8.243 -8.888 1.00 0.00 O ATOM 0 H GLU A 73 5.957 4.894 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 73 6.373 5.764 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.879 7.907 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.692 6.666 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.847 6.825 -7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.181 8.168 -6.851 1.00 0.00 H new ATOM 1102 N GLU A 74 3.488 6.243 -5.612 1.00 0.00 N ATOM 1103 CA GLU A 74 2.084 6.509 -5.278 1.00 0.00 C ATOM 1104 C GLU A 74 1.634 5.553 -4.161 1.00 0.00 C ATOM 1105 O GLU A 74 0.790 5.888 -3.328 1.00 0.00 O ATOM 1106 CB GLU A 74 1.190 6.352 -6.522 1.00 0.00 C ATOM 1107 CG GLU A 74 1.560 7.297 -7.671 1.00 0.00 C ATOM 1108 CD GLU A 74 0.726 7.072 -8.930 1.00 0.00 C ATOM 1109 OE1 GLU A 74 0.617 5.910 -9.372 1.00 0.00 O ATOM 1110 OE2 GLU A 74 0.199 8.060 -9.494 1.00 0.00 O ATOM 0 H GLU A 74 3.633 5.829 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 74 1.989 7.537 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.252 5.323 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.153 6.529 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.434 8.328 -7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.615 7.167 -7.914 1.00 0.00 H new ATOM 1117 N PHE A 75 2.241 4.367 -4.144 1.00 0.00 N ATOM 1118 CA PHE A 75 1.996 3.365 -3.102 1.00 0.00 C ATOM 1119 C PHE A 75 2.563 3.813 -1.747 1.00 0.00 C ATOM 1120 O PHE A 75 1.874 3.761 -0.728 1.00 0.00 O ATOM 1121 CB PHE A 75 2.619 2.024 -3.517 1.00 0.00 C ATOM 1122 CG PHE A 75 2.637 0.981 -2.423 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.465 0.370 -2.003 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.833 0.611 -1.816 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.484 -0.585 -1.004 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.853 -0.344 -0.817 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.678 -0.943 -0.412 1.00 0.00 C ATOM 0 H PHE A 75 2.916 4.072 -4.850 1.00 0.00 H new ATOM 0 HA PHE A 75 0.918 3.248 -2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.067 1.629 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.641 2.200 -3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.526 0.644 -2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.756 1.075 -2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.563 -1.052 -0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.788 -0.621 -0.354 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.693 -1.691 0.367 1.00 0.00 H new ATOM 1137 N LYS A 76 3.823 4.249 -1.734 1.00 0.00 N ATOM 1138 CA LYS A 76 4.442 4.741 -0.498 1.00 0.00 C ATOM 1139 C LYS A 76 3.749 6.022 0.003 1.00 0.00 C ATOM 1140 O LYS A 76 3.738 6.304 1.200 1.00 0.00 O ATOM 1141 CB LYS A 76 5.961 4.925 -0.681 1.00 0.00 C ATOM 1142 CG LYS A 76 6.362 5.922 -1.754 1.00 0.00 C ATOM 1143 CD LYS A 76 6.328 7.364 -1.262 1.00 0.00 C ATOM 1144 CE LYS A 76 7.501 7.680 -0.342 1.00 0.00 C ATOM 1145 NZ LYS A 76 7.538 9.117 0.039 1.00 0.00 N ATOM 0 H LYS A 76 4.430 4.273 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 76 4.303 3.989 0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.390 5.244 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.403 3.958 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.367 5.686 -2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.693 5.818 -2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.346 8.040 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.393 7.545 -0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.432 7.068 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.434 7.412 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.341 9.286 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.647 9.700 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.652 9.371 0.521 1.00 0.00 H new ATOM 1159 N LYS A 77 3.167 6.786 -0.923 1.00 0.00 N ATOM 1160 CA LYS A 77 2.309 7.920 -0.557 1.00 0.00 C ATOM 1161 C LYS A 77 1.005 7.418 0.086 1.00 0.00 C ATOM 1162 O LYS A 77 0.510 8.005 1.050 1.00 0.00 O ATOM 1163 CB LYS A 77 2.009 8.792 -1.792 1.00 0.00 C ATOM 1164 CG LYS A 77 0.941 9.867 -1.565 1.00 0.00 C ATOM 1165 CD LYS A 77 1.285 10.811 -0.410 1.00 0.00 C ATOM 1166 CE LYS A 77 2.517 11.660 -0.696 1.00 0.00 C ATOM 1167 NZ LYS A 77 2.799 12.608 0.416 1.00 0.00 N ATOM 0 H LYS A 77 3.272 6.643 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 77 2.837 8.534 0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.932 9.276 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.688 8.145 -2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.817 10.448 -2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.015 9.385 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.435 11.465 -0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.453 10.227 0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.379 11.011 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.369 12.217 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.417 13.371 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.906 13.015 0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.271 12.102 1.192 1.00 0.00 H new ATOM 1181 N ALA A 78 0.458 6.326 -0.448 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.698 5.667 0.165 1.00 0.00 C ATOM 1183 C ALA A 78 -0.379 5.247 1.606 1.00 0.00 C ATOM 1184 O ALA A 78 -1.181 5.442 2.519 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.123 4.458 -0.665 1.00 0.00 C ATOM 0 H ALA A 78 0.795 5.879 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.525 6.376 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.983 3.979 -0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.392 4.783 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.298 3.747 -0.722 1.00 0.00 H new ATOM 1191 N LEU A 79 0.814 4.680 1.800 1.00 0.00 N ATOM 1192 CA LEU A 79 1.290 4.304 3.134 1.00 0.00 C ATOM 1193 C LEU A 79 1.349 5.520 4.068 1.00 0.00 C ATOM 1194 O LEU A 79 1.050 5.413 5.253 1.00 0.00 O ATOM 1195 CB LEU A 79 2.673 3.640 3.047 1.00 0.00 C ATOM 1196 CG LEU A 79 2.740 2.366 2.187 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.147 1.779 2.207 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.716 1.332 2.655 1.00 0.00 C ATOM 0 H LEU A 79 1.470 4.471 1.048 1.00 0.00 H new ATOM 0 HA LEU A 79 0.579 3.589 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.381 4.366 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.004 3.395 4.056 1.00 0.00 H new ATOM 0 HG LEU A 79 2.495 2.639 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.174 0.879 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.852 2.510 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.422 1.528 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.786 0.442 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.918 1.063 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.713 1.752 2.578 1.00 0.00 H new ATOM 1210 N GLU A 80 1.732 6.679 3.524 1.00 0.00 N ATOM 1211 CA GLU A 80 1.737 7.933 4.291 1.00 0.00 C ATOM 1212 C GLU A 80 0.318 8.315 4.750 1.00 0.00 C ATOM 1213 O GLU A 80 0.101 8.660 5.914 1.00 0.00 O ATOM 1214 CB GLU A 80 2.343 9.069 3.453 1.00 0.00 C ATOM 1215 CG GLU A 80 3.841 8.918 3.200 1.00 0.00 C ATOM 1216 CD GLU A 80 4.413 10.018 2.316 1.00 0.00 C ATOM 1217 OE1 GLU A 80 4.096 11.205 2.551 1.00 0.00 O ATOM 1218 OE2 GLU A 80 5.200 9.706 1.398 1.00 0.00 O ATOM 0 H GLU A 80 2.042 6.777 2.557 1.00 0.00 H new ATOM 0 HA GLU A 80 2.350 7.778 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.825 9.117 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.164 10.017 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.366 8.918 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.029 7.951 2.733 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.643 8.256 3.828 1.00 0.00 N ATOM 1226 CA GLU A 81 -2.050 8.528 4.154 1.00 0.00 C ATOM 1227 C GLU A 81 -2.548 7.582 5.262 1.00 0.00 C ATOM 1228 O GLU A 81 -3.012 8.030 6.320 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.917 8.391 2.888 1.00 0.00 C ATOM 1230 CG GLU A 81 -4.420 8.545 3.120 1.00 0.00 C ATOM 1231 CD GLU A 81 -4.807 9.868 3.768 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -4.534 10.934 3.180 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -5.391 9.850 4.871 1.00 0.00 O ATOM 0 H GLU A 81 -0.477 8.023 2.849 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.132 9.549 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.597 9.139 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.731 7.414 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.937 8.453 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.767 7.726 3.751 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.423 6.275 5.029 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.784 5.271 6.040 1.00 0.00 C ATOM 1242 C LEU A 82 -2.053 5.528 7.367 1.00 0.00 C ATOM 1243 O LEU A 82 -2.674 5.563 8.423 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.477 3.846 5.542 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.547 3.203 4.640 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.732 3.989 3.347 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -3.193 1.745 4.341 1.00 0.00 C ATOM 0 H LEU A 82 -2.076 5.884 4.153 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.857 5.358 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.534 3.868 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.327 3.203 6.410 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.494 3.226 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.494 3.507 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.044 5.007 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.790 4.016 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.961 1.308 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.230 1.701 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.136 1.186 5.275 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.739 5.720 7.297 1.00 0.00 N ATOM 1260 CA ALA A 83 0.088 5.957 8.491 1.00 0.00 C ATOM 1261 C ALA A 83 -0.462 7.101 9.360 1.00 0.00 C ATOM 1262 O ALA A 83 -0.608 6.949 10.572 1.00 0.00 O ATOM 1263 CB ALA A 83 1.532 6.248 8.093 1.00 0.00 C ATOM 0 H ALA A 83 -0.215 5.717 6.422 1.00 0.00 H new ATOM 0 HA ALA A 83 0.056 5.046 9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.129 6.421 8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.937 5.397 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.563 7.135 7.460 1.00 0.00 H new ATOM 1269 N THR A 84 -0.777 8.234 8.733 1.00 0.00 N ATOM 1270 CA THR A 84 -1.296 9.410 9.459 1.00 0.00 C ATOM 1271 C THR A 84 -2.641 9.117 10.142 1.00 0.00 C ATOM 1272 O THR A 84 -2.936 9.653 11.213 1.00 0.00 O ATOM 1273 CB THR A 84 -1.465 10.641 8.530 1.00 0.00 C ATOM 1274 OG1 THR A 84 -2.386 10.344 7.468 1.00 0.00 O ATOM 1275 CG2 THR A 84 -0.125 11.073 7.940 1.00 0.00 C ATOM 0 H THR A 84 -0.685 8.370 7.726 1.00 0.00 H new ATOM 0 HA THR A 84 -0.550 9.638 10.221 1.00 0.00 H new ATOM 0 HB THR A 84 -1.860 11.460 9.132 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.446 9.373 7.349 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.274 11.938 7.293 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.559 11.337 8.746 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.298 10.254 7.359 1.00 0.00 H new ATOM 1283 N LYS A 85 -3.466 8.276 9.519 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.750 7.878 10.120 1.00 0.00 C ATOM 1285 C LYS A 85 -4.638 6.551 10.901 1.00 0.00 C ATOM 1286 O LYS A 85 -5.607 6.096 11.514 1.00 0.00 O ATOM 1287 CB LYS A 85 -5.836 7.781 9.036 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.550 6.753 7.941 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.523 6.885 6.770 1.00 0.00 C ATOM 1290 CE LYS A 85 -7.973 6.674 7.198 1.00 0.00 C ATOM 1291 NZ LYS A 85 -8.932 7.033 6.119 1.00 0.00 N ATOM 0 H LYS A 85 -3.276 7.858 8.608 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.031 8.649 10.838 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.785 7.532 9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.959 8.761 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.529 6.880 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.618 5.749 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.418 7.873 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.264 6.158 6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.119 5.631 7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.181 7.276 8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.689 6.321 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.345 7.966 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.433 7.063 5.207 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.451 5.944 10.890 1.00 0.00 N ATOM 1306 CA ARG A 86 -3.213 4.675 11.593 1.00 0.00 C ATOM 1307 C ARG A 86 -2.407 4.883 12.886 1.00 0.00 C ATOM 1308 O ARG A 86 -2.890 4.612 13.986 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.463 3.704 10.669 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.386 2.271 11.188 1.00 0.00 C ATOM 1311 CD ARG A 86 -3.771 1.693 11.470 1.00 0.00 C ATOM 1312 NE ARG A 86 -3.728 0.259 11.734 1.00 0.00 N ATOM 1313 CZ ARG A 86 -3.287 -0.285 12.836 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -2.831 0.449 13.803 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -3.317 -1.570 12.972 1.00 0.00 N ATOM 0 H ARG A 86 -2.634 6.309 10.401 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.182 4.258 11.865 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.952 3.699 9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.450 4.077 10.516 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.874 1.647 10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.790 2.247 12.100 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.209 2.205 12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.423 1.884 10.617 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.068 -0.366 11.003 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.814 1.464 13.708 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.490 0.011 14.658 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.684 -2.154 12.220 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.974 -2.000 13.831 1.00 0.00 H new ATOM 1329 N PHE A 87 -1.173 5.348 12.740 1.00 0.00 N ATOM 1330 CA PHE A 87 -0.272 5.547 13.884 1.00 0.00 C ATOM 1331 C PHE A 87 -0.152 7.032 14.262 1.00 0.00 C ATOM 1332 O PHE A 87 0.306 7.851 13.465 1.00 0.00 O ATOM 1333 CB PHE A 87 1.125 4.996 13.562 1.00 0.00 C ATOM 1334 CG PHE A 87 1.126 3.563 13.093 1.00 0.00 C ATOM 1335 CD1 PHE A 87 0.794 2.534 13.961 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.457 3.246 11.780 1.00 0.00 C ATOM 1337 CE1 PHE A 87 0.793 1.220 13.533 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.457 1.934 11.348 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.124 0.919 12.226 1.00 0.00 C ATOM 0 H PHE A 87 -0.765 5.597 11.839 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.699 5.009 14.730 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.582 5.619 12.793 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.750 5.077 14.451 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.533 2.762 14.984 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.717 4.035 11.090 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.533 0.428 14.220 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.717 1.701 10.326 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.123 -0.108 11.890 1.00 0.00 H new ATOM 1349 N LYS A 88 -0.550 7.372 15.485 1.00 0.00 N ATOM 1350 CA LYS A 88 -0.414 8.744 15.993 1.00 0.00 C ATOM 1351 C LYS A 88 1.034 9.020 16.450 1.00 0.00 C ATOM 1352 O LYS A 88 1.289 9.367 17.608 1.00 0.00 O ATOM 1353 CB LYS A 88 -1.406 8.975 17.145 1.00 0.00 C ATOM 1354 CG LYS A 88 -2.862 8.741 16.749 1.00 0.00 C ATOM 1355 CD LYS A 88 -3.818 9.002 17.909 1.00 0.00 C ATOM 1356 CE LYS A 88 -5.268 8.752 17.508 1.00 0.00 C ATOM 1357 NZ LYS A 88 -6.214 9.053 18.614 1.00 0.00 N ATOM 0 H LYS A 88 -0.970 6.720 16.147 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.645 9.441 15.187 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.151 8.312 17.972 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.296 9.996 17.510 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.120 9.392 15.913 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.983 7.715 16.403 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.556 8.359 18.749 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.706 10.032 18.249 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.515 9.367 16.643 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.385 7.712 17.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.188 8.869 18.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.996 8.449 19.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.122 10.052 18.888 1.00 0.00 H new ATOM 1371 N GLY A 89 1.975 8.869 15.519 1.00 0.00 N ATOM 1372 CA GLY A 89 3.393 9.015 15.835 1.00 0.00 C ATOM 1373 C GLY A 89 3.924 10.439 15.670 1.00 0.00 C ATOM 1374 O GLY A 89 5.049 10.733 16.081 1.00 0.00 O ATOM 0 H GLY A 89 1.781 8.646 14.543 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.561 8.693 16.863 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.968 8.347 15.194 1.00 0.00 H new ATOM 1378 N LYS A 90 3.127 11.315 15.051 1.00 0.00 N ATOM 1379 CA LYS A 90 3.495 12.733 14.874 1.00 0.00 C ATOM 1380 C LYS A 90 4.802 12.915 14.066 1.00 0.00 C ATOM 1381 O LYS A 90 5.470 13.947 14.163 1.00 0.00 O ATOM 1382 CB LYS A 90 3.612 13.414 16.248 1.00 0.00 C ATOM 1383 CG LYS A 90 2.312 13.391 17.052 1.00 0.00 C ATOM 1384 CD LYS A 90 2.484 13.994 18.445 1.00 0.00 C ATOM 1385 CE LYS A 90 2.839 15.477 18.396 1.00 0.00 C ATOM 1386 NZ LYS A 90 1.770 16.292 17.763 1.00 0.00 N ATOM 0 H LYS A 90 2.217 11.070 14.660 1.00 0.00 H new ATOM 0 HA LYS A 90 2.702 13.206 14.294 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.395 12.921 16.824 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.924 14.449 16.107 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.543 13.943 16.512 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.962 12.363 17.144 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.562 13.862 19.012 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.266 13.453 18.978 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.018 15.839 19.408 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.769 15.608 17.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.975 17.302 17.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.732 16.084 16.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.854 16.061 18.198 1.00 0.00 H new ATOM 1400 N SER A 91 5.153 11.920 13.255 1.00 0.00 N ATOM 1401 CA SER A 91 6.337 12.001 12.381 1.00 0.00 C ATOM 1402 C SER A 91 6.130 11.194 11.097 1.00 0.00 C ATOM 1403 O SER A 91 5.326 10.260 11.060 1.00 0.00 O ATOM 1404 CB SER A 91 7.593 11.497 13.105 1.00 0.00 C ATOM 1405 OG SER A 91 8.737 11.566 12.262 1.00 0.00 O ATOM 0 H SER A 91 4.638 11.043 13.180 1.00 0.00 H new ATOM 0 HA SER A 91 6.476 13.050 12.121 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.763 12.093 14.002 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.440 10.468 13.431 1.00 0.00 H new ATOM 0 HG SER A 91 9.523 11.241 12.749 1.00 0.00 H new ATOM 1411 N LYS A 92 6.853 11.559 10.039 1.00 0.00 N ATOM 1412 CA LYS A 92 6.751 10.868 8.761 1.00 0.00 C ATOM 1413 C LYS A 92 7.621 9.612 8.731 1.00 0.00 C ATOM 1414 O LYS A 92 7.120 8.511 8.524 1.00 0.00 O ATOM 1415 CB LYS A 92 7.162 11.812 7.628 1.00 0.00 C ATOM 1416 CG LYS A 92 6.183 12.953 7.387 1.00 0.00 C ATOM 1417 CD LYS A 92 6.590 13.792 6.179 1.00 0.00 C ATOM 1418 CE LYS A 92 5.608 14.928 5.913 1.00 0.00 C ATOM 1419 NZ LYS A 92 5.935 15.659 4.659 1.00 0.00 N ATOM 0 H LYS A 92 7.517 12.333 10.045 1.00 0.00 H new ATOM 0 HA LYS A 92 5.714 10.561 8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.143 12.230 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.266 11.236 6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.183 12.549 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.136 13.587 8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.585 14.205 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.652 13.153 5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.597 14.526 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.620 15.623 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.245 16.423 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.890 16.064 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.899 15.001 3.854 1.00 0.00 H new ATOM 1433 N GLU A 93 8.924 9.790 8.943 1.00 0.00 N ATOM 1434 CA GLU A 93 9.892 8.688 8.860 1.00 0.00 C ATOM 1435 C GLU A 93 9.492 7.482 9.732 1.00 0.00 C ATOM 1436 O GLU A 93 9.309 6.382 9.220 1.00 0.00 O ATOM 1437 CB GLU A 93 11.298 9.182 9.246 1.00 0.00 C ATOM 1438 CG GLU A 93 11.976 10.051 8.183 1.00 0.00 C ATOM 1439 CD GLU A 93 11.138 11.250 7.762 1.00 0.00 C ATOM 1440 OE1 GLU A 93 11.032 12.215 8.550 1.00 0.00 O ATOM 1441 OE2 GLU A 93 10.582 11.234 6.642 1.00 0.00 O ATOM 0 H GLU A 93 9.340 10.692 9.175 1.00 0.00 H new ATOM 0 HA GLU A 93 9.898 8.346 7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.228 9.751 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.931 8.318 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.933 10.403 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.190 9.440 7.306 1.00 0.00 H new ATOM 1448 N GLU A 94 9.330 7.696 11.036 1.00 0.00 N ATOM 1449 CA GLU A 94 9.015 6.595 11.963 1.00 0.00 C ATOM 1450 C GLU A 94 7.726 5.858 11.557 1.00 0.00 C ATOM 1451 O GLU A 94 7.729 4.637 11.376 1.00 0.00 O ATOM 1452 CB GLU A 94 8.889 7.112 13.401 1.00 0.00 C ATOM 1453 CG GLU A 94 8.539 6.019 14.408 1.00 0.00 C ATOM 1454 CD GLU A 94 8.418 6.539 15.829 1.00 0.00 C ATOM 1455 OE1 GLU A 94 7.319 6.998 16.208 1.00 0.00 O ATOM 1456 OE2 GLU A 94 9.417 6.483 16.578 1.00 0.00 O ATOM 0 H GLU A 94 9.409 8.612 11.478 1.00 0.00 H new ATOM 0 HA GLU A 94 9.841 5.886 11.910 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.829 7.580 13.695 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.123 7.887 13.435 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.598 5.552 14.117 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.304 5.243 14.375 1.00 0.00 H new ATOM 1463 N ALA A 95 6.630 6.603 11.417 1.00 0.00 N ATOM 1464 CA ALA A 95 5.345 6.020 11.013 1.00 0.00 C ATOM 1465 C ALA A 95 5.442 5.315 9.648 1.00 0.00 C ATOM 1466 O ALA A 95 4.816 4.275 9.429 1.00 0.00 O ATOM 1467 CB ALA A 95 4.267 7.098 10.978 1.00 0.00 C ATOM 0 H ALA A 95 6.603 7.610 11.576 1.00 0.00 H new ATOM 0 HA ALA A 95 5.075 5.266 11.753 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.318 6.654 10.677 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.163 7.540 11.969 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.549 7.871 10.263 1.00 0.00 H new ATOM 1473 N PHE A 96 6.239 5.885 8.741 1.00 0.00 N ATOM 1474 CA PHE A 96 6.430 5.315 7.402 1.00 0.00 C ATOM 1475 C PHE A 96 7.177 3.973 7.467 1.00 0.00 C ATOM 1476 O PHE A 96 6.715 2.975 6.918 1.00 0.00 O ATOM 1477 CB PHE A 96 7.188 6.303 6.501 1.00 0.00 C ATOM 1478 CG PHE A 96 7.382 5.810 5.088 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.331 5.827 4.184 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.616 5.328 4.666 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.503 5.375 2.892 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.792 4.875 3.373 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.734 4.897 2.485 1.00 0.00 C ATOM 0 H PHE A 96 6.764 6.743 8.909 1.00 0.00 H new ATOM 0 HA PHE A 96 5.444 5.131 6.974 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.645 7.248 6.475 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.164 6.508 6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.366 6.199 4.495 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.446 5.308 5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.675 5.395 2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.756 4.504 3.057 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.869 4.541 1.474 1.00 0.00 H new ATOM 1493 N ASP A 97 8.332 3.953 8.135 1.00 0.00 N ATOM 1494 CA ASP A 97 9.093 2.710 8.317 1.00 0.00 C ATOM 1495 C ASP A 97 8.253 1.636 9.032 1.00 0.00 C ATOM 1496 O ASP A 97 8.324 0.459 8.689 1.00 0.00 O ATOM 1497 CB ASP A 97 10.386 2.969 9.100 1.00 0.00 C ATOM 1498 CG ASP A 97 11.433 3.694 8.273 1.00 0.00 C ATOM 1499 OD1 ASP A 97 12.228 3.018 7.580 1.00 0.00 O ATOM 1500 OD2 ASP A 97 11.477 4.936 8.312 1.00 0.00 O ATOM 0 H ASP A 97 8.761 4.776 8.557 1.00 0.00 H new ATOM 0 HA ASP A 97 9.350 2.340 7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.157 3.559 9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.794 2.019 9.445 1.00 0.00 H new ATOM 1505 N ALA A 98 7.466 2.047 10.025 1.00 0.00 N ATOM 1506 CA ALA A 98 6.567 1.127 10.737 1.00 0.00 C ATOM 1507 C ALA A 98 5.558 0.464 9.778 1.00 0.00 C ATOM 1508 O ALA A 98 5.539 -0.763 9.628 1.00 0.00 O ATOM 1509 CB ALA A 98 5.833 1.868 11.852 1.00 0.00 C ATOM 0 H ALA A 98 7.429 3.010 10.358 1.00 0.00 H new ATOM 0 HA ALA A 98 7.176 0.335 11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.170 1.177 12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.558 2.276 12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.246 2.681 11.424 1.00 0.00 H new ATOM 1515 N ILE A 99 4.737 1.281 9.114 1.00 0.00 N ATOM 1516 CA ILE A 99 3.724 0.765 8.185 1.00 0.00 C ATOM 1517 C ILE A 99 4.382 0.032 6.998 1.00 0.00 C ATOM 1518 O ILE A 99 3.808 -0.896 6.428 1.00 0.00 O ATOM 1519 CB ILE A 99 2.790 1.897 7.675 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.571 1.311 6.940 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.549 2.869 6.773 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.535 2.345 6.550 1.00 0.00 C ATOM 0 H ILE A 99 4.752 2.297 9.200 1.00 0.00 H new ATOM 0 HA ILE A 99 3.114 0.049 8.736 1.00 0.00 H new ATOM 0 HB ILE A 99 2.431 2.452 8.542 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.913 0.797 6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.101 0.562 7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 99 2.872 3.651 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.370 3.319 7.332 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.948 2.331 5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.293 1.855 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.163 2.843 7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.988 3.082 5.887 1.00 0.00 H new ATOM 1534 N CYS A 100 5.602 0.449 6.646 1.00 0.00 N ATOM 1535 CA CYS A 100 6.402 -0.246 5.625 1.00 0.00 C ATOM 1536 C CYS A 100 6.810 -1.645 6.104 1.00 0.00 C ATOM 1537 O CYS A 100 6.699 -2.616 5.366 1.00 0.00 O ATOM 1538 CB CYS A 100 7.661 0.565 5.272 1.00 0.00 C ATOM 1539 SG CYS A 100 8.786 -0.262 4.121 1.00 0.00 S ATOM 0 H CYS A 100 6.060 1.265 7.052 1.00 0.00 H new ATOM 0 HA CYS A 100 5.782 -0.346 4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 100 7.355 1.518 4.840 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.202 0.791 6.191 1.00 0.00 H new ATOM 0 HG CYS A 100 9.810 0.505 3.889 1.00 0.00 H new ATOM 1545 N GLN A 101 7.268 -1.738 7.354 1.00 0.00 N ATOM 1546 CA GLN A 101 7.677 -3.021 7.951 1.00 0.00 C ATOM 1547 C GLN A 101 6.517 -4.029 8.002 1.00 0.00 C ATOM 1548 O GLN A 101 6.737 -5.240 7.961 1.00 0.00 O ATOM 1549 CB GLN A 101 8.237 -2.793 9.365 1.00 0.00 C ATOM 1550 CG GLN A 101 9.615 -2.138 9.387 1.00 0.00 C ATOM 1551 CD GLN A 101 10.097 -1.824 10.792 1.00 0.00 C ATOM 1552 OE1 GLN A 101 10.742 -2.643 11.442 1.00 0.00 O ATOM 1553 NE2 GLN A 101 9.787 -0.635 11.272 1.00 0.00 N ATOM 0 H GLN A 101 7.367 -0.938 7.979 1.00 0.00 H new ATOM 0 HA GLN A 101 8.454 -3.444 7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.540 -2.169 9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.293 -3.751 9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 101 10.333 -2.798 8.901 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.583 -1.217 8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.250 0.020 10.704 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.084 -0.371 12.211 1.00 0.00 H new ATOM 1562 N LEU A 102 5.288 -3.527 8.103 1.00 0.00 N ATOM 1563 CA LEU A 102 4.097 -4.392 8.086 1.00 0.00 C ATOM 1564 C LEU A 102 3.944 -5.131 6.741 1.00 0.00 C ATOM 1565 O LEU A 102 3.306 -6.184 6.668 1.00 0.00 O ATOM 1566 CB LEU A 102 2.826 -3.572 8.367 1.00 0.00 C ATOM 1567 CG LEU A 102 2.812 -2.805 9.700 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.509 -2.022 9.856 1.00 0.00 C ATOM 1569 CD2 LEU A 102 3.014 -3.760 10.875 1.00 0.00 C ATOM 0 H LEU A 102 5.085 -2.532 8.197 1.00 0.00 H new ATOM 0 HA LEU A 102 4.232 -5.135 8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.689 -2.857 7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.969 -4.245 8.347 1.00 0.00 H new ATOM 0 HG LEU A 102 3.639 -2.094 9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.518 -1.486 10.805 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.413 -1.309 9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.665 -2.712 9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.001 -3.197 11.808 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.212 -4.499 10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.973 -4.267 10.771 1.00 0.00 H new ATOM 1581 N VAL A 103 4.532 -4.572 5.682 1.00 0.00 N ATOM 1582 CA VAL A 103 4.414 -5.142 4.330 1.00 0.00 C ATOM 1583 C VAL A 103 5.758 -5.684 3.804 1.00 0.00 C ATOM 1584 O VAL A 103 5.793 -6.684 3.095 1.00 0.00 O ATOM 1585 CB VAL A 103 3.874 -4.082 3.335 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.650 -4.686 1.948 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.589 -3.451 3.868 1.00 0.00 C ATOM 0 H VAL A 103 5.096 -3.724 5.730 1.00 0.00 H new ATOM 0 HA VAL A 103 3.715 -5.975 4.404 1.00 0.00 H new ATOM 0 HB VAL A 103 4.626 -3.299 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.271 -3.918 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.593 -5.074 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.925 -5.497 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.225 -2.710 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.833 -4.225 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.790 -2.968 4.824 1.00 0.00 H new ATOM 1597 N ALA A 104 6.858 -5.028 4.168 1.00 0.00 N ATOM 1598 CA ALA A 104 8.192 -5.371 3.649 1.00 0.00 C ATOM 1599 C ALA A 104 8.629 -6.796 4.038 1.00 0.00 C ATOM 1600 O ALA A 104 8.834 -7.099 5.218 1.00 0.00 O ATOM 1601 CB ALA A 104 9.221 -4.358 4.138 1.00 0.00 C ATOM 0 H ALA A 104 6.857 -4.248 4.826 1.00 0.00 H new ATOM 0 HA ALA A 104 8.130 -5.339 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.204 -4.621 3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.947 -3.363 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.249 -4.365 5.228 1.00 0.00 H new ATOM 1607 N GLY A 105 8.782 -7.658 3.032 1.00 0.00 N ATOM 1608 CA GLY A 105 9.170 -9.046 3.269 1.00 0.00 C ATOM 1609 C GLY A 105 7.978 -9.939 3.587 1.00 0.00 C ATOM 1610 O GLY A 105 8.138 -11.067 4.062 1.00 0.00 O ATOM 0 H GLY A 105 8.644 -7.420 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.684 -9.432 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.880 -9.085 4.095 1.00 0.00 H new ATOM 1614 N LYS A 106 6.780 -9.433 3.317 1.00 0.00 N ATOM 1615 CA LYS A 106 5.538 -10.157 3.598 1.00 0.00 C ATOM 1616 C LYS A 106 4.942 -10.763 2.314 1.00 0.00 C ATOM 1617 O LYS A 106 5.230 -10.317 1.200 1.00 0.00 O ATOM 1618 CB LYS A 106 4.529 -9.202 4.263 1.00 0.00 C ATOM 1619 CG LYS A 106 3.174 -9.829 4.601 1.00 0.00 C ATOM 1620 CD LYS A 106 3.291 -10.940 5.646 1.00 0.00 C ATOM 1621 CE LYS A 106 1.926 -11.537 5.994 1.00 0.00 C ATOM 1622 NZ LYS A 106 1.020 -10.540 6.628 1.00 0.00 N ATOM 0 H LYS A 106 6.639 -8.513 2.899 1.00 0.00 H new ATOM 0 HA LYS A 106 5.760 -10.981 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.971 -8.811 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.365 -8.352 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 106 2.501 -9.056 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.727 -10.233 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.946 -11.726 5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.755 -10.543 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.460 -11.925 5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.063 -12.382 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.710 -10.893 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.526 -9.640 6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.190 -10.389 6.020 1.00 0.00 H new ATOM 1636 N GLU A 107 4.137 -11.807 2.477 1.00 0.00 N ATOM 1637 CA GLU A 107 3.409 -12.414 1.361 1.00 0.00 C ATOM 1638 C GLU A 107 1.934 -12.623 1.739 1.00 0.00 C ATOM 1639 O GLU A 107 1.596 -12.667 2.925 1.00 0.00 O ATOM 1640 CB GLU A 107 4.057 -13.754 0.961 1.00 0.00 C ATOM 1641 CG GLU A 107 3.976 -14.847 2.028 1.00 0.00 C ATOM 1642 CD GLU A 107 4.807 -14.550 3.271 1.00 0.00 C ATOM 1643 OE1 GLU A 107 6.041 -14.727 3.220 1.00 0.00 O ATOM 1644 OE2 GLU A 107 4.230 -14.153 4.308 1.00 0.00 O ATOM 0 H GLU A 107 3.969 -12.256 3.377 1.00 0.00 H new ATOM 0 HA GLU A 107 3.457 -11.739 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.578 -14.117 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.105 -13.577 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.935 -14.981 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.309 -15.791 1.596 1.00 0.00 H new ATOM 1651 N PRO A 108 1.032 -12.741 0.747 1.00 0.00 N ATOM 1652 CA PRO A 108 -0.400 -12.981 1.013 1.00 0.00 C ATOM 1653 C PRO A 108 -0.651 -14.322 1.725 1.00 0.00 C ATOM 1654 O PRO A 108 0.288 -15.056 2.046 1.00 0.00 O ATOM 1655 CB PRO A 108 -1.035 -12.984 -0.393 1.00 0.00 C ATOM 1656 CG PRO A 108 -0.030 -12.322 -1.279 1.00 0.00 C ATOM 1657 CD PRO A 108 1.316 -12.643 -0.695 1.00 0.00 C ATOM 0 HA PRO A 108 -0.819 -12.227 1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -1.246 -14.000 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -1.981 -12.443 -0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -0.109 -12.691 -2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.192 -11.245 -1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.717 -13.575 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.047 -11.864 -0.911 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.920 -14.633 1.989 1.00 0.00 N ATOM 1666 CA ALA A 109 -2.289 -15.934 2.561 1.00 0.00 C ATOM 1667 C ALA A 109 -1.725 -17.089 1.715 1.00 0.00 C ATOM 1668 O ALA A 109 -0.936 -17.902 2.197 1.00 0.00 O ATOM 1669 CB ALA A 109 -3.805 -16.044 2.679 1.00 0.00 C ATOM 0 H ALA A 109 -2.708 -14.008 1.818 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.854 -16.007 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.068 -17.013 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.178 -15.250 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -4.255 -15.948 1.691 1.00 0.00 H new