USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 482 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 96 LYS NZ :NH3+ -139:sc= 0.0414 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= -1.01 K(o=-0.97,f=-3) USER MOD Single : A 10 LYS NZ :NH3+ -147:sc= 0.0842 (180deg=-0.145) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= -0.185 (180deg=-1.2) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0981 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc=-0.00865 X(o=-0.0087,f=-0.084) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.337) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.268 F(o=-0.86,f=-0.27) USER MOD Single : A 92 SER OG : rot 42:sc= 0.129 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc=-0.00785 X(o=-0.0078,f=-0.045) USER MOD Single : A 107 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 108 SER OG : rot -92:sc= -0.458 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 115 SER OG : rot -46:sc= -1.5! USER MOD Single : A 117 MET CE :methyl -141:sc= -1.9 (180deg=-2.51) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.128 -11.574 6.760 1.00 0.00 N ATOM 70 CA PRO A 9 -11.089 -10.559 6.767 1.00 0.00 C ATOM 71 C PRO A 9 -10.165 -10.729 7.975 1.00 0.00 C ATOM 72 O PRO A 9 -10.633 -10.927 9.095 1.00 0.00 O ATOM 73 CB PRO A 9 -11.831 -9.233 6.768 1.00 0.00 C ATOM 74 CG PRO A 9 -13.245 -9.548 7.230 1.00 0.00 C ATOM 75 CD PRO A 9 -13.432 -11.055 7.159 1.00 0.00 C ATOM 0 HA PRO A 9 -10.429 -10.628 5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.352 -8.518 7.436 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.835 -8.787 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.403 -9.191 8.248 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.975 -9.042 6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.742 -11.461 8.122 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.203 -11.324 6.437 1.00 0.00 H new ATOM 80 N LYS A 10 -8.870 -10.646 7.706 1.00 0.00 N ATOM 81 CA LYS A 10 -7.877 -10.787 8.757 1.00 0.00 C ATOM 82 C LYS A 10 -7.328 -9.406 9.124 1.00 0.00 C ATOM 83 O LYS A 10 -6.751 -8.722 8.282 1.00 0.00 O ATOM 84 CB LYS A 10 -6.797 -11.789 8.343 1.00 0.00 C ATOM 85 CG LYS A 10 -5.464 -11.083 8.088 1.00 0.00 C ATOM 86 CD LYS A 10 -4.351 -12.096 7.808 1.00 0.00 C ATOM 87 CE LYS A 10 -3.005 -11.590 8.328 1.00 0.00 C ATOM 88 NZ LYS A 10 -1.892 -12.298 7.658 1.00 0.00 N ATOM 0 H LYS A 10 -8.486 -10.483 6.775 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.332 -11.198 9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.672 -12.538 9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.111 -12.317 7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.564 -10.404 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.199 -10.476 8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.593 -13.048 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.284 -12.281 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.920 -10.518 8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.944 -11.742 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.097 -12.400 8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.212 -13.240 7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.584 -11.753 6.828 1.00 0.00 H new ATOM 98 N THR A 11 -7.527 -9.042 10.382 1.00 0.00 N ATOM 99 CA THR A 11 -7.060 -7.755 10.869 1.00 0.00 C ATOM 100 C THR A 11 -5.704 -7.910 11.563 1.00 0.00 C ATOM 101 O THR A 11 -5.515 -8.821 12.367 1.00 0.00 O ATOM 102 CB THR A 11 -8.144 -7.170 11.777 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.336 -7.279 11.005 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.976 -5.665 11.995 1.00 0.00 C ATOM 0 H THR A 11 -8.005 -9.615 11.078 1.00 0.00 H new ATOM 0 HA THR A 11 -6.894 -7.057 10.048 1.00 0.00 H new ATOM 0 HB THR A 11 -8.126 -7.679 12.741 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.092 -6.924 11.518 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.771 -5.301 12.646 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.009 -5.470 12.459 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.028 -5.150 11.036 1.00 0.00 H new ATOM 112 N VAL A 12 -4.798 -7.004 11.229 1.00 0.00 N ATOM 113 CA VAL A 12 -3.467 -7.028 11.810 1.00 0.00 C ATOM 114 C VAL A 12 -3.129 -5.640 12.360 1.00 0.00 C ATOM 115 O VAL A 12 -3.190 -4.648 11.635 1.00 0.00 O ATOM 116 CB VAL A 12 -2.453 -7.522 10.777 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.127 -9.002 10.993 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.955 -7.273 9.352 1.00 0.00 C ATOM 0 H VAL A 12 -4.959 -6.248 10.563 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.429 -7.728 12.645 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.533 -6.953 10.912 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.404 -9.328 10.245 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.707 -9.140 11.989 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.038 -9.593 10.898 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.215 -7.634 8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.895 -7.803 9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.113 -6.205 9.203 1.00 0.00 H new ATOM 128 N THR A 13 -2.782 -5.614 13.638 1.00 0.00 N ATOM 129 CA THR A 13 -2.436 -4.364 14.295 1.00 0.00 C ATOM 130 C THR A 13 -0.918 -4.179 14.321 1.00 0.00 C ATOM 131 O THR A 13 -0.170 -5.153 14.383 1.00 0.00 O ATOM 132 CB THR A 13 -3.073 -4.369 15.686 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.465 -4.530 15.432 1.00 0.00 O ATOM 134 CG2 THR A 13 -2.976 -3.008 16.379 1.00 0.00 C ATOM 0 H THR A 13 -2.733 -6.438 14.237 1.00 0.00 H new ATOM 0 HA THR A 13 -2.827 -3.507 13.747 1.00 0.00 H new ATOM 0 HB THR A 13 -2.589 -5.127 16.303 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.953 -4.545 16.282 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.443 -3.066 17.362 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.928 -2.731 16.491 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.488 -2.256 15.778 1.00 0.00 H new ATOM 142 N LEU A 14 -0.507 -2.920 14.274 1.00 0.00 N ATOM 143 CA LEU A 14 0.909 -2.593 14.292 1.00 0.00 C ATOM 144 C LEU A 14 1.153 -1.451 15.279 1.00 0.00 C ATOM 145 O LEU A 14 0.243 -0.676 15.574 1.00 0.00 O ATOM 146 CB LEU A 14 1.407 -2.300 12.874 1.00 0.00 C ATOM 147 CG LEU A 14 1.424 -3.485 11.909 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.068 -3.651 11.221 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.568 -3.355 10.900 1.00 0.00 C ATOM 0 H LEU A 14 -1.130 -2.114 14.223 1.00 0.00 H new ATOM 0 HA LEU A 14 1.493 -3.444 14.642 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.781 -1.517 12.445 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.418 -1.898 12.942 1.00 0.00 H new ATOM 0 HG LEU A 14 1.605 -4.392 12.485 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.107 -4.501 10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.703 -3.823 11.972 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.168 -2.747 10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.557 -4.211 10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.443 -2.438 10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.519 -3.323 11.431 1.00 0.00 H new ATOM 160 N LYS A 15 2.383 -1.382 15.763 1.00 0.00 N ATOM 161 CA LYS A 15 2.758 -0.347 16.712 1.00 0.00 C ATOM 162 C LYS A 15 3.914 0.473 16.136 1.00 0.00 C ATOM 163 O LYS A 15 4.976 -0.070 15.835 1.00 0.00 O ATOM 164 CB LYS A 15 3.061 -0.960 18.081 1.00 0.00 C ATOM 165 CG LYS A 15 1.790 -1.514 18.727 1.00 0.00 C ATOM 166 CD LYS A 15 1.562 -0.896 20.108 1.00 0.00 C ATOM 167 CE LYS A 15 0.765 -1.843 21.009 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.170 -2.658 20.201 1.00 0.00 N ATOM 0 H LYS A 15 3.134 -2.026 15.516 1.00 0.00 H new ATOM 0 HA LYS A 15 1.928 0.341 16.873 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.795 -1.758 17.972 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.505 -0.206 18.731 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.933 -1.308 18.086 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.867 -2.598 18.818 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.522 -0.669 20.572 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.027 0.048 20.004 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.447 -2.495 21.556 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.210 -1.269 21.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.958 -2.978 20.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.541 -2.085 19.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.332 -3.485 19.818 1.00 0.00 H new ATOM 178 N ARG A 16 3.668 1.768 15.998 1.00 0.00 N ATOM 179 CA ARG A 16 4.676 2.668 15.465 1.00 0.00 C ATOM 180 C ARG A 16 6.060 2.292 15.996 1.00 0.00 C ATOM 181 O ARG A 16 6.335 2.449 17.184 1.00 0.00 O ATOM 182 CB ARG A 16 4.370 4.121 15.838 1.00 0.00 C ATOM 183 CG ARG A 16 5.293 5.084 15.090 1.00 0.00 C ATOM 184 CD ARG A 16 4.492 6.194 14.409 1.00 0.00 C ATOM 185 NE ARG A 16 5.163 7.499 14.607 1.00 0.00 N ATOM 186 CZ ARG A 16 5.301 8.099 15.797 1.00 0.00 C ATOM 187 NH1 ARG A 16 4.815 7.516 16.902 1.00 0.00 N ATOM 188 NH2 ARG A 16 5.924 9.281 15.882 1.00 0.00 N ATOM 0 H ARG A 16 2.785 2.215 16.246 1.00 0.00 H new ATOM 0 HA ARG A 16 4.663 2.573 14.379 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.331 4.350 15.602 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.490 4.257 16.913 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.009 5.522 15.786 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.868 4.536 14.344 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.396 5.983 13.344 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.483 6.229 14.819 1.00 0.00 H new ATOM 0 HE ARG A 16 5.544 7.970 13.787 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.340 6.616 16.837 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.920 7.973 17.808 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.293 9.724 15.041 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.029 9.738 16.788 1.00 0.00 H new ATOM 264 N GLY A 22 8.176 -1.490 9.617 1.00 0.00 N ATOM 265 CA GLY A 22 8.743 -2.781 9.267 1.00 0.00 C ATOM 266 C GLY A 22 8.371 -3.174 7.836 1.00 0.00 C ATOM 267 O GLY A 22 9.166 -2.999 6.914 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.828 -2.745 9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.384 -3.540 9.961 1.00 0.00 H new ATOM 271 N PHE A 23 7.162 -3.698 7.696 1.00 0.00 N ATOM 272 CA PHE A 23 6.674 -4.117 6.393 1.00 0.00 C ATOM 273 C PHE A 23 6.641 -2.941 5.416 1.00 0.00 C ATOM 274 O PHE A 23 6.821 -1.792 5.815 1.00 0.00 O ATOM 275 CB PHE A 23 5.250 -4.637 6.595 1.00 0.00 C ATOM 276 CG PHE A 23 4.185 -3.539 6.631 1.00 0.00 C ATOM 277 CD1 PHE A 23 3.997 -2.811 7.764 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.427 -3.291 5.529 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.010 -1.791 7.797 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.440 -2.271 5.562 1.00 0.00 C ATOM 281 CZ PHE A 23 2.251 -1.544 6.695 1.00 0.00 C ATOM 0 H PHE A 23 6.506 -3.842 8.464 1.00 0.00 H new ATOM 0 HA PHE A 23 7.331 -4.881 5.978 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.011 -5.334 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.209 -5.200 7.528 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.599 -3.009 8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.576 -3.870 4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.862 -1.211 8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.839 -2.073 4.687 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.498 -0.770 6.720 1.00 0.00 H new ATOM 290 N THR A 24 6.411 -3.269 4.153 1.00 0.00 N ATOM 291 CA THR A 24 6.352 -2.253 3.115 1.00 0.00 C ATOM 292 C THR A 24 5.568 -2.769 1.908 1.00 0.00 C ATOM 293 O THR A 24 5.248 -3.955 1.831 1.00 0.00 O ATOM 294 CB THR A 24 7.786 -1.841 2.776 1.00 0.00 C ATOM 295 OG1 THR A 24 7.633 -0.651 2.005 1.00 0.00 O ATOM 296 CG2 THR A 24 8.468 -2.819 1.818 1.00 0.00 C ATOM 0 H THR A 24 6.263 -4.223 3.825 1.00 0.00 H new ATOM 0 HA THR A 24 5.816 -1.368 3.458 1.00 0.00 H new ATOM 0 HB THR A 24 8.368 -1.769 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.516 -0.314 1.744 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.483 -2.478 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.503 -3.809 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.905 -2.868 0.886 1.00 0.00 H new ATOM 304 N LEU A 25 5.282 -1.856 0.993 1.00 0.00 N ATOM 305 CA LEU A 25 4.541 -2.203 -0.208 1.00 0.00 C ATOM 306 C LEU A 25 5.382 -1.863 -1.438 1.00 0.00 C ATOM 307 O LEU A 25 6.298 -1.045 -1.361 1.00 0.00 O ATOM 308 CB LEU A 25 3.163 -1.535 -0.200 1.00 0.00 C ATOM 309 CG LEU A 25 2.460 -1.463 1.156 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.421 -2.838 1.827 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.107 -0.407 2.054 1.00 0.00 C ATOM 0 H LEU A 25 5.550 -0.874 1.059 1.00 0.00 H new ATOM 0 HA LEU A 25 4.349 -3.276 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.271 -0.521 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.517 -2.073 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 25 1.428 -1.156 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.916 -2.759 2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.881 -3.538 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.439 -3.197 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.588 -0.376 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.155 -0.660 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.040 0.569 1.574 1.00 0.00 H new ATOM 322 N ARG A 26 5.044 -2.508 -2.545 1.00 0.00 N ATOM 323 CA ARG A 26 5.757 -2.284 -3.791 1.00 0.00 C ATOM 324 C ARG A 26 4.822 -2.493 -4.983 1.00 0.00 C ATOM 325 O ARG A 26 3.894 -3.297 -4.915 1.00 0.00 O ATOM 326 CB ARG A 26 6.952 -3.229 -3.917 1.00 0.00 C ATOM 327 CG ARG A 26 8.075 -2.586 -4.735 1.00 0.00 C ATOM 328 CD ARG A 26 8.351 -3.385 -6.010 1.00 0.00 C ATOM 329 NE ARG A 26 9.728 -3.929 -5.978 1.00 0.00 N ATOM 330 CZ ARG A 26 10.304 -4.577 -6.999 1.00 0.00 C ATOM 331 NH1 ARG A 26 9.626 -4.765 -8.140 1.00 0.00 N ATOM 332 NH2 ARG A 26 11.557 -5.037 -6.880 1.00 0.00 N ATOM 0 H ARG A 26 4.285 -3.187 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 26 6.119 -1.256 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.322 -3.488 -2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.637 -4.158 -4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.801 -1.563 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.982 -2.530 -4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.632 -4.199 -6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.224 -2.746 -6.884 1.00 0.00 H new ATOM 0 HE ARG A 26 10.272 -3.802 -5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.672 -4.415 -8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.064 -5.258 -8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.073 -4.894 -6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.995 -5.530 -7.658 1.00 0.00 H new ATOM 862 N ILE A 63 -2.403 -3.658 -3.486 1.00 0.00 N ATOM 863 CA ILE A 63 -1.216 -3.556 -2.653 1.00 0.00 C ATOM 864 C ILE A 63 -0.776 -4.958 -2.227 1.00 0.00 C ATOM 865 O ILE A 63 -1.600 -5.775 -1.824 1.00 0.00 O ATOM 866 CB ILE A 63 -1.466 -2.606 -1.480 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.543 -1.154 -1.955 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.411 -2.796 -0.387 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.937 -0.571 -1.715 1.00 0.00 C ATOM 0 HA ILE A 63 -0.391 -3.120 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.433 -2.852 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.799 -0.556 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.301 -1.102 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.611 -2.109 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.448 -3.822 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.578 -2.593 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.964 0.462 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.676 -1.157 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.166 -0.602 -0.650 1.00 0.00 H new ATOM 880 N PHE A 64 0.524 -5.192 -2.332 1.00 0.00 N ATOM 881 CA PHE A 64 1.085 -6.480 -1.962 1.00 0.00 C ATOM 882 C PHE A 64 2.376 -6.305 -1.158 1.00 0.00 C ATOM 883 O PHE A 64 3.317 -5.663 -1.620 1.00 0.00 O ATOM 884 CB PHE A 64 1.404 -7.219 -3.262 1.00 0.00 C ATOM 885 CG PHE A 64 0.193 -7.420 -4.176 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.700 -8.411 -3.914 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.010 -6.607 -5.251 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.825 -8.597 -4.763 1.00 0.00 C ATOM 889 CE2 PHE A 64 -1.113 -6.793 -6.099 1.00 0.00 C ATOM 890 CZ PHE A 64 -2.006 -7.785 -5.838 1.00 0.00 C ATOM 0 H PHE A 64 1.205 -4.511 -2.668 1.00 0.00 H new ATOM 0 HA PHE A 64 0.376 -7.031 -1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.169 -6.664 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.829 -8.193 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.555 -9.057 -3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.719 -5.820 -5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.535 -9.383 -4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.258 -6.146 -6.952 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.859 -7.928 -6.485 1.00 0.00 H new ATOM 899 N VAL A 65 2.379 -6.892 0.030 1.00 0.00 N ATOM 900 CA VAL A 65 3.538 -6.809 0.902 1.00 0.00 C ATOM 901 C VAL A 65 4.793 -7.185 0.110 1.00 0.00 C ATOM 902 O VAL A 65 4.753 -8.075 -0.737 1.00 0.00 O ATOM 903 CB VAL A 65 3.327 -7.686 2.139 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.562 -7.668 3.040 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.079 -7.252 2.911 1.00 0.00 C ATOM 0 H VAL A 65 1.597 -7.427 0.409 1.00 0.00 H new ATOM 0 HA VAL A 65 3.673 -5.789 1.263 1.00 0.00 H new ATOM 0 HB VAL A 65 3.173 -8.711 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.386 -8.299 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.422 -8.046 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.760 -6.647 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.951 -7.891 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.191 -6.216 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.204 -7.340 2.267 1.00 0.00 H new ATOM 915 N LYS A 66 5.878 -6.488 0.417 1.00 0.00 N ATOM 916 CA LYS A 66 7.142 -6.737 -0.254 1.00 0.00 C ATOM 917 C LYS A 66 8.099 -7.437 0.713 1.00 0.00 C ATOM 918 O LYS A 66 8.716 -8.442 0.363 1.00 0.00 O ATOM 919 CB LYS A 66 7.700 -5.440 -0.843 1.00 0.00 C ATOM 920 CG LYS A 66 9.109 -5.654 -1.402 1.00 0.00 C ATOM 921 CD LYS A 66 9.888 -4.338 -1.442 1.00 0.00 C ATOM 922 CE LYS A 66 11.391 -4.586 -1.297 1.00 0.00 C ATOM 923 NZ LYS A 66 11.851 -4.200 0.055 1.00 0.00 N ATOM 0 H LYS A 66 5.907 -5.751 1.122 1.00 0.00 H new ATOM 0 HA LYS A 66 6.999 -7.408 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.041 -5.083 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.723 -4.668 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.642 -6.378 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.046 -6.074 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.690 -3.822 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.545 -3.684 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.611 -5.638 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.934 -4.014 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.873 -4.375 0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.659 -3.190 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.345 -4.764 0.768 1.00 0.00 H new ATOM 933 N GLN A 67 8.194 -6.877 1.910 1.00 0.00 N ATOM 934 CA GLN A 67 9.065 -7.435 2.930 1.00 0.00 C ATOM 935 C GLN A 67 8.426 -7.288 4.313 1.00 0.00 C ATOM 936 O GLN A 67 7.516 -6.481 4.496 1.00 0.00 O ATOM 937 CB GLN A 67 10.446 -6.776 2.891 1.00 0.00 C ATOM 938 CG GLN A 67 11.417 -7.589 2.035 1.00 0.00 C ATOM 939 CD GLN A 67 12.655 -7.991 2.841 1.00 0.00 C ATOM 940 OE1 GLN A 67 13.272 -7.187 3.520 1.00 0.00 O ATOM 941 NE2 GLN A 67 12.981 -9.275 2.729 1.00 0.00 N ATOM 0 H GLN A 67 7.682 -6.043 2.196 1.00 0.00 H new ATOM 0 HA GLN A 67 9.199 -8.497 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.360 -5.766 2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.838 -6.684 3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.917 -8.482 1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.719 -7.004 1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.421 -9.894 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.791 -9.641 3.229 1.00 0.00 H new ATOM 948 N VAL A 68 8.927 -8.081 5.248 1.00 0.00 N ATOM 949 CA VAL A 68 8.417 -8.050 6.608 1.00 0.00 C ATOM 950 C VAL A 68 9.592 -8.043 7.589 1.00 0.00 C ATOM 951 O VAL A 68 10.348 -9.011 7.663 1.00 0.00 O ATOM 952 CB VAL A 68 7.456 -9.218 6.834 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.286 -9.509 8.326 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.104 -8.953 6.169 1.00 0.00 C ATOM 0 H VAL A 68 9.681 -8.749 5.091 1.00 0.00 H new ATOM 0 HA VAL A 68 7.844 -7.139 6.780 1.00 0.00 H new ATOM 0 HB VAL A 68 7.890 -10.103 6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.598 -10.344 8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.253 -9.764 8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.886 -8.627 8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.440 -9.799 6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.662 -8.050 6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.246 -8.820 5.096 1.00 0.00 H new ATOM 964 N LYS A 69 9.707 -6.942 8.316 1.00 0.00 N ATOM 965 CA LYS A 69 10.777 -6.798 9.290 1.00 0.00 C ATOM 966 C LYS A 69 10.818 -8.037 10.184 1.00 0.00 C ATOM 967 O LYS A 69 9.954 -8.218 11.042 1.00 0.00 O ATOM 968 CB LYS A 69 10.623 -5.486 10.062 1.00 0.00 C ATOM 969 CG LYS A 69 11.988 -4.935 10.483 1.00 0.00 C ATOM 970 CD LYS A 69 12.669 -5.866 11.487 1.00 0.00 C ATOM 971 CE LYS A 69 13.985 -5.264 11.987 1.00 0.00 C ATOM 972 NZ LYS A 69 14.974 -6.331 12.253 1.00 0.00 N ATOM 0 H LYS A 69 9.078 -6.142 8.251 1.00 0.00 H new ATOM 0 HA LYS A 69 11.743 -6.736 8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.106 -4.753 9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.005 -5.649 10.945 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.622 -4.815 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.865 -3.946 10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.003 -6.046 12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.861 -6.832 11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.380 -4.571 11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.807 -4.690 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.861 -5.906 12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.601 -6.977 12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.156 -6.861 11.377 1.00 0.00 H new ATOM 982 N GLU A 70 11.829 -8.861 9.954 1.00 0.00 N ATOM 983 CA GLU A 70 11.994 -10.080 10.728 1.00 0.00 C ATOM 984 C GLU A 70 12.228 -9.744 12.203 1.00 0.00 C ATOM 985 O GLU A 70 13.372 -9.640 12.646 1.00 0.00 O ATOM 986 CB GLU A 70 13.137 -10.933 10.172 1.00 0.00 C ATOM 987 CG GLU A 70 12.854 -12.423 10.371 1.00 0.00 C ATOM 988 CD GLU A 70 14.130 -13.177 10.750 1.00 0.00 C ATOM 989 OE1 GLU A 70 14.683 -12.853 11.823 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.524 -14.060 9.957 1.00 0.00 O ATOM 0 H GLU A 70 12.543 -8.709 9.242 1.00 0.00 H new ATOM 0 HA GLU A 70 11.077 -10.664 10.649 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.270 -10.723 9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.070 -10.667 10.669 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.105 -12.553 11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.437 -12.843 9.456 1.00 0.00 H new ATOM 995 N GLY A 71 11.128 -9.583 12.923 1.00 0.00 N ATOM 996 CA GLY A 71 11.197 -9.260 14.337 1.00 0.00 C ATOM 997 C GLY A 71 10.571 -7.894 14.621 1.00 0.00 C ATOM 998 O GLY A 71 10.732 -7.347 15.710 1.00 0.00 O ATOM 0 H GLY A 71 10.182 -9.671 12.552 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.681 -10.027 14.914 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.237 -9.262 14.663 1.00 0.00 H new ATOM 1002 N GLY A 72 9.868 -7.383 13.620 1.00 0.00 N ATOM 1003 CA GLY A 72 9.216 -6.090 13.749 1.00 0.00 C ATOM 1004 C GLY A 72 7.755 -6.254 14.171 1.00 0.00 C ATOM 1005 O GLY A 72 7.382 -7.271 14.754 1.00 0.00 O ATOM 0 H GLY A 72 9.736 -7.840 12.718 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.745 -5.483 14.484 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.267 -5.557 12.800 1.00 0.00 H new ATOM 1009 N PRO A 73 6.943 -5.209 13.853 1.00 0.00 N ATOM 1010 CA PRO A 73 5.531 -5.227 14.194 1.00 0.00 C ATOM 1011 C PRO A 73 4.754 -6.158 13.261 1.00 0.00 C ATOM 1012 O PRO A 73 4.226 -7.180 13.697 1.00 0.00 O ATOM 1013 CB PRO A 73 5.084 -3.778 14.093 1.00 0.00 C ATOM 1014 CG PRO A 73 6.138 -3.073 13.255 1.00 0.00 C ATOM 1015 CD PRO A 73 7.348 -3.987 13.163 1.00 0.00 C ATOM 0 HA PRO A 73 5.344 -5.619 15.194 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.101 -3.704 13.627 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.003 -3.325 15.081 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.750 -2.852 12.261 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.412 -2.121 13.709 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.614 -4.188 12.125 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.221 -3.537 13.635 1.00 0.00 H new ATOM 1020 N ALA A 74 4.708 -5.773 11.994 1.00 0.00 N ATOM 1021 CA ALA A 74 4.005 -6.560 10.996 1.00 0.00 C ATOM 1022 C ALA A 74 4.334 -8.041 11.198 1.00 0.00 C ATOM 1023 O ALA A 74 3.434 -8.874 11.282 1.00 0.00 O ATOM 1024 CB ALA A 74 4.379 -6.065 9.598 1.00 0.00 C ATOM 0 H ALA A 74 5.147 -4.925 11.636 1.00 0.00 H new ATOM 0 HA ALA A 74 2.927 -6.443 11.104 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.851 -6.656 8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.099 -5.017 9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.454 -6.169 9.451 1.00 0.00 H new ATOM 1030 N PHE A 75 5.627 -8.323 11.269 1.00 0.00 N ATOM 1031 CA PHE A 75 6.085 -9.688 11.459 1.00 0.00 C ATOM 1032 C PHE A 75 5.315 -10.374 12.590 1.00 0.00 C ATOM 1033 O PHE A 75 4.826 -11.489 12.425 1.00 0.00 O ATOM 1034 CB PHE A 75 7.567 -9.614 11.837 1.00 0.00 C ATOM 1035 CG PHE A 75 8.061 -10.812 12.653 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.010 -12.063 12.122 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.552 -10.624 13.906 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.468 -13.173 12.878 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.010 -11.734 14.663 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.959 -12.985 14.132 1.00 0.00 C ATOM 0 H PHE A 75 6.371 -7.629 11.198 1.00 0.00 H new ATOM 0 HA PHE A 75 5.926 -10.264 10.547 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.161 -9.538 10.926 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.741 -8.702 12.408 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.621 -12.212 11.125 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.594 -9.630 14.326 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.427 -14.167 12.458 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.399 -11.585 15.660 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.309 -13.830 14.707 1.00 0.00 H new ATOM 1049 N GLU A 76 5.233 -9.676 13.714 1.00 0.00 N ATOM 1050 CA GLU A 76 4.531 -10.203 14.872 1.00 0.00 C ATOM 1051 C GLU A 76 3.024 -10.217 14.618 1.00 0.00 C ATOM 1052 O GLU A 76 2.369 -11.243 14.803 1.00 0.00 O ATOM 1053 CB GLU A 76 4.869 -9.399 16.129 1.00 0.00 C ATOM 1054 CG GLU A 76 6.381 -9.302 16.331 1.00 0.00 C ATOM 1055 CD GLU A 76 6.844 -10.224 17.461 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.162 -10.223 18.508 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.870 -10.908 17.252 1.00 0.00 O ATOM 0 H GLU A 76 5.641 -8.751 13.847 1.00 0.00 H new ATOM 0 HA GLU A 76 4.860 -11.229 15.037 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.445 -8.398 16.049 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.412 -9.870 16.999 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.893 -9.569 15.406 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.655 -8.273 16.561 1.00 0.00 H new ATOM 1062 N ALA A 77 2.516 -9.069 14.195 1.00 0.00 N ATOM 1063 CA ALA A 77 1.097 -8.937 13.912 1.00 0.00 C ATOM 1064 C ALA A 77 0.615 -10.172 13.148 1.00 0.00 C ATOM 1065 O ALA A 77 -0.553 -10.545 13.236 1.00 0.00 O ATOM 1066 CB ALA A 77 0.848 -7.639 13.141 1.00 0.00 C ATOM 0 H ALA A 77 3.062 -8.221 14.041 1.00 0.00 H new ATOM 0 HA ALA A 77 0.525 -8.880 14.838 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.217 -7.540 12.929 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.179 -6.791 13.740 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.404 -7.660 12.204 1.00 0.00 H new ATOM 1072 N GLY A 78 1.542 -10.772 12.415 1.00 0.00 N ATOM 1073 CA GLY A 78 1.228 -11.957 11.634 1.00 0.00 C ATOM 1074 C GLY A 78 1.332 -11.669 10.136 1.00 0.00 C ATOM 1075 O GLY A 78 0.899 -12.475 9.314 1.00 0.00 O ATOM 0 H GLY A 78 2.511 -10.460 12.345 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.910 -12.764 11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.221 -12.298 11.873 1.00 0.00 H new ATOM 1079 N LEU A 79 1.907 -10.517 9.824 1.00 0.00 N ATOM 1080 CA LEU A 79 2.073 -10.114 8.439 1.00 0.00 C ATOM 1081 C LEU A 79 3.193 -10.939 7.802 1.00 0.00 C ATOM 1082 O LEU A 79 4.037 -11.494 8.504 1.00 0.00 O ATOM 1083 CB LEU A 79 2.292 -8.602 8.343 1.00 0.00 C ATOM 1084 CG LEU A 79 1.452 -7.867 7.298 1.00 0.00 C ATOM 1085 CD1 LEU A 79 -0.034 -7.905 7.665 1.00 0.00 C ATOM 1086 CD2 LEU A 79 1.955 -6.437 7.097 1.00 0.00 C ATOM 0 H LEU A 79 2.264 -9.850 10.508 1.00 0.00 H new ATOM 0 HA LEU A 79 1.165 -10.318 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.087 -8.163 9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.345 -8.421 8.127 1.00 0.00 H new ATOM 0 HG LEU A 79 1.563 -8.384 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.610 -7.375 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.369 -8.941 7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.182 -7.426 8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.340 -5.937 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.893 -5.894 8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.991 -6.460 6.759 1.00 0.00 H new ATOM 1097 N CYS A 80 3.165 -10.995 6.479 1.00 0.00 N ATOM 1098 CA CYS A 80 4.166 -11.743 5.739 1.00 0.00 C ATOM 1099 C CYS A 80 4.252 -11.166 4.326 1.00 0.00 C ATOM 1100 O CYS A 80 3.833 -10.033 4.086 1.00 0.00 O ATOM 1101 CB CYS A 80 3.858 -13.242 5.725 1.00 0.00 C ATOM 1102 SG CYS A 80 5.364 -14.196 6.137 1.00 0.00 S ATOM 0 H CYS A 80 2.464 -10.534 5.900 1.00 0.00 H new ATOM 0 HA CYS A 80 5.134 -11.642 6.231 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.068 -13.466 6.442 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.489 -13.536 4.743 1.00 0.00 H new ATOM 0 HG CYS A 80 5.090 -15.467 6.124 1.00 0.00 H new ATOM 1107 N THR A 81 4.799 -11.968 3.424 1.00 0.00 N ATOM 1108 CA THR A 81 4.943 -11.551 2.039 1.00 0.00 C ATOM 1109 C THR A 81 3.882 -12.222 1.166 1.00 0.00 C ATOM 1110 O THR A 81 3.605 -13.410 1.323 1.00 0.00 O ATOM 1111 CB THR A 81 6.377 -11.859 1.602 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.612 -13.177 2.086 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.411 -11.003 2.334 1.00 0.00 C ATOM 0 H THR A 81 5.148 -12.905 3.625 1.00 0.00 H new ATOM 0 HA THR A 81 4.776 -10.480 1.928 1.00 0.00 H new ATOM 0 HB THR A 81 6.470 -11.699 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.520 -13.457 1.845 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.411 -11.263 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.219 -9.949 2.133 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.341 -11.186 3.406 1.00 0.00 H new ATOM 1121 N GLY A 82 3.319 -11.433 0.263 1.00 0.00 N ATOM 1122 CA GLY A 82 2.295 -11.936 -0.636 1.00 0.00 C ATOM 1123 C GLY A 82 0.904 -11.478 -0.194 1.00 0.00 C ATOM 1124 O GLY A 82 -0.033 -11.467 -0.992 1.00 0.00 O ATOM 0 H GLY A 82 3.553 -10.448 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.492 -11.586 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.332 -13.025 -0.662 1.00 0.00 H new ATOM 1128 N ASP A 83 0.812 -11.109 1.075 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.448 -10.651 1.633 1.00 0.00 C ATOM 1130 C ASP A 83 -0.763 -9.255 1.093 1.00 0.00 C ATOM 1131 O ASP A 83 0.054 -8.343 1.208 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.376 -10.563 3.158 1.00 0.00 C ATOM 1133 CG ASP A 83 -0.134 -11.895 3.872 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -1.053 -12.742 3.820 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.963 -12.035 4.455 1.00 0.00 O ATOM 0 H ASP A 83 1.591 -11.118 1.733 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.221 -11.365 1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.422 -9.872 3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.308 -10.134 3.527 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.948 -9.131 0.514 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.381 -7.861 -0.042 1.00 0.00 C ATOM 1141 C ARG A 84 -3.205 -7.082 0.985 1.00 0.00 C ATOM 1142 O ARG A 84 -3.869 -7.678 1.831 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.219 -8.070 -1.305 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.567 -8.709 -0.968 1.00 0.00 C ATOM 1145 CD ARG A 84 -5.263 -9.221 -2.231 1.00 0.00 C ATOM 1146 NE ARG A 84 -5.776 -10.591 -2.006 1.00 0.00 N ATOM 1147 CZ ARG A 84 -6.079 -11.451 -2.987 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -5.921 -11.088 -4.268 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -6.538 -12.674 -2.689 1.00 0.00 N ATOM 0 H ARG A 84 -2.622 -9.890 0.418 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.488 -7.292 -0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.380 -7.113 -1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.676 -8.705 -2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.418 -9.534 -0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.204 -7.980 -0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.084 -8.556 -2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.564 -9.218 -3.068 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.907 -10.900 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.570 -10.157 -4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.152 -11.742 -5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.657 -12.951 -1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.769 -13.328 -3.437 1.00 0.00 H new ATOM 1160 N ILE A 85 -3.134 -5.764 0.877 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.865 -4.898 1.786 1.00 0.00 C ATOM 1162 C ILE A 85 -5.266 -4.642 1.225 1.00 0.00 C ATOM 1163 O ILE A 85 -5.419 -4.350 0.040 1.00 0.00 O ATOM 1164 CB ILE A 85 -3.072 -3.620 2.065 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.616 -3.943 2.411 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.746 -2.781 3.152 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.536 -4.928 3.579 1.00 0.00 C ATOM 0 H ILE A 85 -2.581 -5.274 0.173 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.992 -5.384 2.753 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.062 -3.019 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.116 -4.366 1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.087 -3.025 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.161 -1.879 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.750 -2.505 2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.808 -3.361 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.491 -5.141 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.015 -4.492 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.045 -5.854 3.310 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.251 -4.762 2.102 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.633 -4.546 1.709 1.00 0.00 C ATOM 1180 C ILE A 86 -8.197 -3.349 2.477 1.00 0.00 C ATOM 1181 O ILE A 86 -8.954 -2.553 1.924 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.447 -5.831 1.887 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.543 -6.217 3.364 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.875 -6.964 1.033 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.499 -7.396 3.560 1.00 0.00 C ATOM 0 H ILE A 86 -6.120 -5.006 3.084 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.694 -4.301 0.649 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.462 -5.646 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.554 -6.479 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.889 -5.363 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.471 -7.865 1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.901 -6.676 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.845 -7.159 1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.550 -7.651 4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.492 -7.122 3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.137 -8.256 2.997 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.808 -3.262 3.741 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.265 -2.174 4.590 1.00 0.00 C ATOM 1198 C LYS A 87 -7.070 -1.581 5.340 1.00 0.00 C ATOM 1199 O LYS A 87 -6.032 -2.227 5.469 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.392 -2.652 5.508 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.609 -3.100 4.696 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.168 -4.421 5.231 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.883 -5.202 4.127 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.735 -6.263 4.709 1.00 0.00 N ATOM 0 H LYS A 87 -7.182 -3.926 4.197 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.692 -1.372 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.038 -3.478 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.679 -1.848 6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.381 -2.331 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.329 -3.217 3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.357 -5.023 5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.862 -4.222 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.494 -4.524 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.149 -5.645 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.911 -6.998 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.253 -6.685 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.641 -5.853 5.013 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.258 -0.358 5.813 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.209 0.329 6.547 1.00 0.00 C ATOM 1216 C VAL A 88 -6.842 1.213 7.625 1.00 0.00 C ATOM 1217 O VAL A 88 -7.477 2.218 7.314 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.320 1.111 5.578 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.386 2.058 6.335 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.529 0.164 4.675 1.00 0.00 C ATOM 0 H VAL A 88 -8.121 0.175 5.702 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.563 -0.388 7.053 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.966 1.716 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.765 2.602 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.978 2.766 6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.749 1.482 7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.905 0.745 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.897 -0.479 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.220 -0.450 4.097 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.645 0.804 8.870 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.187 1.546 9.995 1.00 0.00 C ATOM 1232 C ASN A 89 -8.713 1.569 9.897 1.00 0.00 C ATOM 1233 O ASN A 89 -9.369 2.386 10.542 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.691 2.993 9.992 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.436 3.144 10.854 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.431 3.766 10.241 1.00 0.00 O flip ATOM 1237 ND2 ASN A 89 -5.383 2.726 11.998 1.00 0.00 N flip ATOM 0 H ASN A 89 -6.118 -0.031 9.124 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.859 1.055 10.911 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.474 3.305 8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.475 3.651 10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.191 2.258 12.408 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.530 2.845 12.545 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.235 0.664 9.083 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.673 0.570 8.891 1.00 0.00 C ATOM 1245 C GLY A 90 -11.095 1.221 7.574 1.00 0.00 C ATOM 1246 O GLY A 90 -12.242 1.089 7.150 1.00 0.00 O ATOM 0 H GLY A 90 -8.688 -0.011 8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.976 -0.477 8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.187 1.055 9.721 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.144 1.912 6.962 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.401 2.584 5.699 1.00 0.00 C ATOM 1252 C GLU A 91 -10.211 1.614 4.532 1.00 0.00 C ATOM 1253 O GLU A 91 -9.133 1.044 4.363 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.507 3.815 5.541 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.131 5.037 6.218 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.497 5.361 5.610 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.779 4.815 4.521 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.230 6.148 6.249 1.00 0.00 O ATOM 0 H GLU A 91 -9.194 2.021 7.317 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.436 2.925 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.527 3.615 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.351 4.022 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.239 4.850 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.468 5.895 6.110 1.00 0.00 H new ATOM 1263 N SER A 92 -11.273 1.456 3.755 1.00 0.00 N ATOM 1264 CA SER A 92 -11.236 0.565 2.608 1.00 0.00 C ATOM 1265 C SER A 92 -10.425 1.202 1.477 1.00 0.00 C ATOM 1266 O SER A 92 -10.845 2.200 0.894 1.00 0.00 O ATOM 1267 CB SER A 92 -12.649 0.230 2.126 1.00 0.00 C ATOM 1268 OG SER A 92 -13.461 1.393 2.005 1.00 0.00 O ATOM 0 H SER A 92 -12.165 1.930 3.898 1.00 0.00 H new ATOM 0 HA SER A 92 -10.755 -0.365 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.593 -0.275 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.115 -0.466 2.824 1.00 0.00 H new ATOM 0 HG SER A 92 -12.938 2.116 1.600 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.278 0.597 1.202 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.406 1.093 0.151 1.00 0.00 C ATOM 1275 C VAL A 93 -9.213 1.264 -1.138 1.00 0.00 C ATOM 1276 O VAL A 93 -8.831 2.038 -2.014 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.205 0.158 -0.015 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -6.544 -0.129 1.334 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.615 -1.141 -0.715 1.00 0.00 C ATOM 0 H VAL A 93 -8.933 -0.231 1.688 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.006 2.072 0.416 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.472 0.661 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.694 -0.795 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.201 0.806 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.266 -0.602 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.744 -1.788 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.375 -1.650 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.018 -0.911 -1.701 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.313 0.531 -1.211 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.176 0.592 -2.378 1.00 0.00 C ATOM 1291 C ILE A 94 -11.455 2.057 -2.724 1.00 0.00 C ATOM 1292 O ILE A 94 -12.056 2.783 -1.933 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.442 -0.236 -2.152 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.108 -1.724 -2.024 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.474 0.027 -3.251 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -11.272 -2.201 -3.213 1.00 0.00 C ATOM 0 H ILE A 94 -10.627 -0.109 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.681 0.147 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.890 0.076 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -11.562 -1.900 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.029 -2.304 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.364 -0.574 -3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.743 1.083 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.051 -0.240 -4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.048 -3.262 -3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.831 -2.046 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.341 -1.636 -3.253 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.003 2.447 -3.907 1.00 0.00 N ATOM 1308 CA GLY A 95 -11.196 3.812 -4.368 1.00 0.00 C ATOM 1309 C GLY A 95 -9.993 4.687 -4.010 1.00 0.00 C ATOM 1310 O GLY A 95 -9.572 5.527 -4.804 1.00 0.00 O ATOM 0 H GLY A 95 -10.504 1.842 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.346 3.817 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.098 4.227 -3.919 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.472 4.458 -2.812 1.00 0.00 N ATOM 1315 CA LYS A 96 -8.326 5.215 -2.339 1.00 0.00 C ATOM 1316 C LYS A 96 -7.098 4.851 -3.176 1.00 0.00 C ATOM 1317 O LYS A 96 -7.086 3.823 -3.852 1.00 0.00 O ATOM 1318 CB LYS A 96 -8.129 5.006 -0.836 1.00 0.00 C ATOM 1319 CG LYS A 96 -9.374 5.433 -0.057 1.00 0.00 C ATOM 1320 CD LYS A 96 -9.121 5.379 1.453 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.926 6.457 2.181 1.00 0.00 C ATOM 1322 NZ LYS A 96 -9.056 7.598 2.543 1.00 0.00 N ATOM 0 H LYS A 96 -9.823 3.760 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.496 6.284 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.912 3.957 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.267 5.580 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.659 6.445 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.209 4.781 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.393 4.396 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.058 5.516 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.742 6.801 1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.378 6.037 3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.297 7.928 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.061 7.296 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.198 8.372 1.863 1.00 0.00 H new ATOM 1332 N THR A 97 -6.095 5.713 -3.104 1.00 0.00 N ATOM 1333 CA THR A 97 -4.865 5.495 -3.847 1.00 0.00 C ATOM 1334 C THR A 97 -3.699 5.246 -2.888 1.00 0.00 C ATOM 1335 O THR A 97 -3.778 5.583 -1.708 1.00 0.00 O ATOM 1336 CB THR A 97 -4.648 6.697 -4.768 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.284 6.590 -5.164 1.00 0.00 O ATOM 1338 CG2 THR A 97 -4.715 8.029 -4.017 1.00 0.00 C ATOM 0 H THR A 97 -6.109 6.564 -2.542 1.00 0.00 H new ATOM 0 HA THR A 97 -4.932 4.601 -4.467 1.00 0.00 H new ATOM 0 HB THR A 97 -5.398 6.688 -5.559 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.059 7.330 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.555 8.849 -4.716 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.695 8.135 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 97 -3.943 8.052 -3.248 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.644 4.657 -3.431 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.464 4.359 -2.638 1.00 0.00 C ATOM 1348 C TYR A 98 -1.177 5.480 -1.638 1.00 0.00 C ATOM 1349 O TYR A 98 -1.209 5.261 -0.428 1.00 0.00 O ATOM 1350 CB TYR A 98 -0.302 4.266 -3.629 1.00 0.00 C ATOM 1351 CG TYR A 98 1.025 3.840 -2.997 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.088 2.687 -2.241 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.155 4.608 -3.182 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.337 2.285 -1.644 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.404 4.206 -2.586 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.432 3.065 -1.847 1.00 0.00 C ATOM 1357 OH TYR A 98 4.611 2.685 -1.284 1.00 0.00 O ATOM 0 H TYR A 98 -2.582 4.378 -4.410 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.605 3.438 -2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.563 3.556 -4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.169 5.236 -4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.202 2.086 -2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.104 5.510 -3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.401 1.386 -1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.297 4.797 -2.723 1.00 0.00 H new ATOM 0 HH TYR A 98 5.308 3.335 -1.513 1.00 0.00 H new ATOM 1366 N SER A 99 -0.902 6.657 -2.181 1.00 0.00 N ATOM 1367 CA SER A 99 -0.610 7.815 -1.352 1.00 0.00 C ATOM 1368 C SER A 99 -1.554 7.846 -0.147 1.00 0.00 C ATOM 1369 O SER A 99 -1.102 7.894 0.997 1.00 0.00 O ATOM 1370 CB SER A 99 -0.730 9.112 -2.153 1.00 0.00 C ATOM 1371 OG SER A 99 0.351 10.003 -1.891 1.00 0.00 O ATOM 0 H SER A 99 -0.875 6.834 -3.185 1.00 0.00 H new ATOM 0 HA SER A 99 0.418 7.732 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.758 8.879 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.672 9.603 -1.909 1.00 0.00 H new ATOM 0 HG SER A 99 0.239 10.819 -2.423 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.844 7.817 -0.446 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.854 7.842 0.599 1.00 0.00 C ATOM 1378 C GLN A 100 -3.562 6.764 1.646 1.00 0.00 C ATOM 1379 O GLN A 100 -3.182 7.076 2.773 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.256 7.669 0.011 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.888 9.025 -0.305 1.00 0.00 C ATOM 1382 CD GLN A 100 -7.337 9.082 0.185 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.663 9.735 1.162 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -8.183 8.364 -0.548 1.00 0.00 N ATOM 0 H GLN A 100 -3.213 7.776 -1.396 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.818 8.815 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.202 7.068 -0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.885 7.126 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.309 9.819 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.856 9.203 -1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.842 7.840 -1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.173 8.337 -0.304 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.751 5.519 1.235 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.513 4.394 2.123 1.00 0.00 C ATOM 1393 C VAL A 101 -2.161 4.575 2.817 1.00 0.00 C ATOM 1394 O VAL A 101 -2.018 4.259 3.997 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.613 3.081 1.342 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -5.038 2.853 0.834 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.609 3.050 0.189 1.00 0.00 C ATOM 0 H VAL A 101 -4.066 5.264 0.299 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.275 4.353 2.901 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.365 2.267 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.082 1.914 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.723 2.809 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.326 3.673 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.702 2.106 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.811 3.877 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.598 3.144 0.585 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.204 5.082 2.054 1.00 0.00 N ATOM 1408 CA ILE A 102 0.132 5.309 2.581 1.00 0.00 C ATOM 1409 C ILE A 102 0.053 6.287 3.755 1.00 0.00 C ATOM 1410 O ILE A 102 0.530 5.990 4.850 1.00 0.00 O ATOM 1411 CB ILE A 102 1.078 5.760 1.467 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.506 4.576 0.599 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.280 6.515 2.041 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.377 3.600 1.392 1.00 0.00 C ATOM 0 H ILE A 102 -1.327 5.342 1.075 1.00 0.00 H new ATOM 0 HA ILE A 102 0.552 4.380 2.967 1.00 0.00 H new ATOM 0 HB ILE A 102 0.540 6.454 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.623 4.058 0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.057 4.938 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.937 6.825 1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.932 7.395 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.828 5.863 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.667 2.768 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.271 4.114 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.815 3.221 2.246 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.553 7.435 3.488 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.701 8.459 4.508 1.00 0.00 C ATOM 1427 C ALA A 103 -1.370 7.851 5.743 1.00 0.00 C ATOM 1428 O ALA A 103 -0.949 8.104 6.870 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.493 9.637 3.938 1.00 0.00 C ATOM 0 H ALA A 103 -0.947 7.678 2.579 1.00 0.00 H new ATOM 0 HA ALA A 103 0.274 8.838 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.604 10.405 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.962 10.052 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.478 9.294 3.622 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.400 7.057 5.487 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.132 6.411 6.563 1.00 0.00 C ATOM 1437 C LEU A 104 -2.144 5.689 7.483 1.00 0.00 C ATOM 1438 O LEU A 104 -2.364 5.603 8.690 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.222 5.501 5.998 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.353 6.200 5.239 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.447 5.204 4.845 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.911 7.374 6.047 1.00 0.00 C ATOM 0 H LEU A 104 -2.745 6.847 4.550 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.651 7.153 7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.754 4.779 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.659 4.936 6.821 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.943 6.610 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.238 5.726 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.022 4.431 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.861 4.744 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.713 7.853 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.301 7.009 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.117 8.097 6.234 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.077 5.189 6.877 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.055 4.478 7.627 1.00 0.00 C ATOM 1455 C ILE A 105 0.845 5.490 8.339 1.00 0.00 C ATOM 1456 O ILE A 105 1.142 5.335 9.523 1.00 0.00 O ATOM 1457 CB ILE A 105 0.704 3.514 6.713 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.169 2.317 6.332 1.00 0.00 C ATOM 1459 CG2 ILE A 105 2.025 3.079 7.352 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.219 1.772 4.955 1.00 0.00 C ATOM 0 H ILE A 105 -0.898 5.262 5.875 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.509 3.858 8.399 1.00 0.00 H new ATOM 0 HB ILE A 105 0.949 4.040 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.063 1.532 7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.218 2.614 6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.545 2.394 6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.648 3.955 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.824 2.578 8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.417 0.922 4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.089 2.552 4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.261 1.454 4.970 1.00 0.00 H new ATOM 1471 N GLN A 106 1.255 6.502 7.588 1.00 0.00 N ATOM 1472 CA GLN A 106 2.116 7.537 8.132 1.00 0.00 C ATOM 1473 C GLN A 106 1.416 8.254 9.290 1.00 0.00 C ATOM 1474 O GLN A 106 2.065 8.671 10.248 1.00 0.00 O ATOM 1475 CB GLN A 106 2.533 8.531 7.046 1.00 0.00 C ATOM 1476 CG GLN A 106 3.492 7.877 6.048 1.00 0.00 C ATOM 1477 CD GLN A 106 4.661 8.810 5.719 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.430 9.208 6.578 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.747 9.136 4.432 1.00 0.00 N ATOM 0 H GLN A 106 1.006 6.627 6.607 1.00 0.00 H new ATOM 0 HA GLN A 106 3.021 7.065 8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.649 8.896 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.012 9.396 7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.873 6.943 6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.955 7.625 5.134 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.069 8.766 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.491 9.756 4.111 1.00 0.00 H new ATOM 1486 N ASN A 107 0.103 8.374 9.162 1.00 0.00 N ATOM 1487 CA ASN A 107 -0.691 9.032 10.186 1.00 0.00 C ATOM 1488 C ASN A 107 -1.467 7.979 10.979 1.00 0.00 C ATOM 1489 O ASN A 107 -2.474 8.292 11.614 1.00 0.00 O ATOM 1490 CB ASN A 107 -1.703 9.996 9.563 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.112 11.402 9.434 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -0.855 12.087 10.409 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -0.912 11.791 8.178 1.00 0.00 N ATOM 0 H ASN A 107 -0.431 8.027 8.365 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.013 9.589 10.833 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.001 9.631 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.603 10.031 10.177 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -0.521 12.713 7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -1.150 11.167 7.407 1.00 0.00 H new ATOM 1499 N SER A 108 -0.972 6.753 10.917 1.00 0.00 N ATOM 1500 CA SER A 108 -1.606 5.652 11.622 1.00 0.00 C ATOM 1501 C SER A 108 -1.706 5.974 13.114 1.00 0.00 C ATOM 1502 O SER A 108 -2.513 5.382 13.828 1.00 0.00 O ATOM 1503 CB SER A 108 -0.838 4.346 11.409 1.00 0.00 C ATOM 1504 OG SER A 108 0.430 4.360 12.061 1.00 0.00 O ATOM 0 H SER A 108 -0.138 6.497 10.389 1.00 0.00 H new ATOM 0 HA SER A 108 -2.610 5.520 11.218 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.430 3.512 11.785 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.695 4.179 10.341 1.00 0.00 H new ATOM 0 HG SER A 108 1.113 4.689 11.441 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.872 6.910 13.541 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.855 7.317 14.936 1.00 0.00 C ATOM 1511 C ASP A 109 -0.019 6.322 15.743 1.00 0.00 C ATOM 1512 O ASP A 109 0.896 5.698 15.210 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.269 7.332 15.522 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.508 8.388 16.604 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.753 9.384 16.604 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -3.442 8.173 17.407 1.00 0.00 O ATOM 0 H ASP A 109 -0.203 7.398 12.946 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.431 8.320 14.990 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.980 7.495 14.712 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.483 6.349 15.941 1.00 0.00 H new ATOM 1520 N THR A 110 -0.363 6.206 17.018 1.00 0.00 N ATOM 1521 CA THR A 110 0.344 5.298 17.904 1.00 0.00 C ATOM 1522 C THR A 110 0.510 3.929 17.242 1.00 0.00 C ATOM 1523 O THR A 110 1.632 3.467 17.038 1.00 0.00 O ATOM 1524 CB THR A 110 -0.417 5.243 19.230 1.00 0.00 C ATOM 1525 OG1 THR A 110 -0.259 6.549 19.776 1.00 0.00 O ATOM 1526 CG2 THR A 110 0.256 4.327 20.254 1.00 0.00 C ATOM 0 H THR A 110 -1.122 6.726 17.458 1.00 0.00 H new ATOM 0 HA THR A 110 1.355 5.651 18.107 1.00 0.00 H new ATOM 0 HB THR A 110 -1.435 4.899 19.049 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.724 6.602 20.637 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.325 4.324 21.177 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.310 3.314 19.856 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.263 4.690 20.460 1.00 0.00 H new ATOM 1534 N THR A 111 -0.620 3.319 16.924 1.00 0.00 N ATOM 1535 CA THR A 111 -0.614 2.012 16.290 1.00 0.00 C ATOM 1536 C THR A 111 -1.020 2.130 14.819 1.00 0.00 C ATOM 1537 O THR A 111 -1.219 3.235 14.314 1.00 0.00 O ATOM 1538 CB THR A 111 -1.526 1.088 17.099 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.529 1.958 17.617 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.838 0.529 18.345 1.00 0.00 C ATOM 0 H THR A 111 -1.548 3.706 17.094 1.00 0.00 H new ATOM 0 HA THR A 111 0.387 1.581 16.285 1.00 0.00 H new ATOM 0 HB THR A 111 -1.858 0.264 16.468 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.165 1.441 18.154 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.530 -0.120 18.882 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.041 -0.043 18.049 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.535 1.351 18.993 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.131 0.978 14.174 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.509 0.940 12.771 1.00 0.00 C ATOM 1550 C LEU A 112 -2.216 -0.383 12.475 1.00 0.00 C ATOM 1551 O LEU A 112 -1.590 -1.443 12.495 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.292 1.202 11.881 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.539 1.136 10.372 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.024 -0.182 9.789 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -2.017 1.367 10.047 1.00 0.00 C ATOM 0 H LEU A 112 -0.966 0.064 14.596 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.217 1.737 12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.104 2.189 12.122 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.482 0.477 12.135 1.00 0.00 H new ATOM 0 HG LEU A 112 0.025 1.940 9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.212 -0.203 8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.047 -0.267 9.972 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.540 -1.016 10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.165 1.315 8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.621 0.601 10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.319 2.350 10.408 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.509 -0.280 12.206 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.308 -1.458 11.905 1.00 0.00 C ATOM 1568 C GLU A 113 -4.381 -1.676 10.393 1.00 0.00 C ATOM 1569 O GLU A 113 -4.589 -0.731 9.634 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.707 -1.339 12.510 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.469 -2.661 12.393 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.975 -2.443 12.545 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.523 -1.682 11.717 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.544 -3.041 13.483 1.00 0.00 O ATOM 0 H GLU A 113 -4.024 0.600 12.190 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.826 -2.326 12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.630 -1.051 13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.261 -0.550 12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.260 -3.120 11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.120 -3.355 13.158 1.00 0.00 H new ATOM 1579 N LEU A 114 -4.205 -2.930 9.999 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.250 -3.285 8.591 1.00 0.00 C ATOM 1581 C LEU A 114 -5.249 -4.425 8.387 1.00 0.00 C ATOM 1582 O LEU A 114 -5.949 -4.816 9.321 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.844 -3.599 8.074 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.834 -2.452 8.137 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.401 -2.979 8.046 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -2.127 -1.401 7.065 1.00 0.00 C ATOM 0 H LEU A 114 -4.031 -3.712 10.631 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.604 -2.442 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.447 -4.438 8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.925 -3.929 7.038 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.937 -1.960 9.104 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.298 -2.144 8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.210 -3.659 8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.268 -3.511 7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.394 -0.598 7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.070 -1.862 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.126 -0.994 7.218 1.00 0.00 H new ATOM 1597 N SER A 115 -5.284 -4.927 7.163 1.00 0.00 N ATOM 1598 CA SER A 115 -6.187 -6.015 6.824 1.00 0.00 C ATOM 1599 C SER A 115 -5.791 -6.626 5.479 1.00 0.00 C ATOM 1600 O SER A 115 -5.575 -5.903 4.507 1.00 0.00 O ATOM 1601 CB SER A 115 -7.638 -5.534 6.783 1.00 0.00 C ATOM 1602 OG SER A 115 -7.874 -4.467 7.698 1.00 0.00 O ATOM 0 H SER A 115 -4.701 -4.601 6.392 1.00 0.00 H new ATOM 0 HA SER A 115 -6.108 -6.778 7.598 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.882 -5.206 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.302 -6.366 7.017 1.00 0.00 H new ATOM 0 HG SER A 115 -7.470 -4.683 8.564 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.708 -7.947 5.466 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.342 -8.662 4.254 1.00 0.00 C ATOM 1609 C VAL A 116 -6.390 -9.739 3.967 1.00 0.00 C ATOM 1610 O VAL A 116 -7.480 -9.717 4.536 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.926 -9.225 4.388 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.938 -8.134 4.803 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.892 -10.398 5.369 1.00 0.00 C ATOM 0 H VAL A 116 -5.888 -8.542 6.275 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.329 -7.986 3.399 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.621 -9.598 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.939 -8.562 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.930 -7.345 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.240 -7.716 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.874 -10.779 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.228 -10.062 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.550 -11.190 5.012 1.00 0.00 H new ATOM 1623 N MET A 117 -6.023 -10.657 3.086 1.00 0.00 N ATOM 1624 CA MET A 117 -6.916 -11.741 2.717 1.00 0.00 C ATOM 1625 C MET A 117 -6.146 -13.050 2.536 1.00 0.00 C ATOM 1626 O MET A 117 -5.718 -13.376 1.431 1.00 0.00 O ATOM 1627 CB MET A 117 -7.635 -11.389 1.412 1.00 0.00 C ATOM 1628 CG MET A 117 -9.018 -10.794 1.692 1.00 0.00 C ATOM 1629 SD MET A 117 -10.196 -12.103 1.979 1.00 0.00 S ATOM 1630 CE MET A 117 -10.428 -11.931 3.740 1.00 0.00 C ATOM 0 H MET A 117 -5.118 -10.672 2.616 1.00 0.00 H new ATOM 0 HA MET A 117 -7.642 -11.876 3.519 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.037 -10.677 0.844 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.737 -12.283 0.796 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.972 -10.138 2.561 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.338 -10.183 0.848 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.507 -12.918 4.195 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.578 -11.401 4.169 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.341 -11.369 3.933 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.989 -13.786 3.670 1.00 0.00 N ATOM 1639 CA PRO A 118 -5.277 -15.051 3.648 1.00 0.00 C ATOM 1640 C PRO A 118 -6.132 -16.150 3.013 1.00 0.00 C ATOM 1641 O PRO A 118 -7.259 -15.898 2.589 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.931 -15.334 5.101 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.858 -14.458 5.928 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.481 -13.431 4.997 1.00 0.00 C ATOM 0 HA PRO A 118 -4.375 -15.015 3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -5.075 -16.388 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.886 -15.100 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.631 -15.062 6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.305 -13.964 6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.570 -13.468 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.186 -12.418 5.271 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.565 -17.346 2.967 1.00 0.00 N ATOM 1650 CA LYS A 119 -6.261 -18.484 2.392 1.00 0.00 C ATOM 1651 C LYS A 119 -6.181 -19.668 3.359 1.00 0.00 C ATOM 1652 O LYS A 119 -5.275 -19.736 4.188 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.720 -18.794 0.995 1.00 0.00 C ATOM 1654 CG LYS A 119 -6.768 -18.497 -0.078 1.00 0.00 C ATOM 1655 CD LYS A 119 -7.493 -19.774 -0.505 1.00 0.00 C ATOM 1656 CE LYS A 119 -7.592 -19.865 -2.029 1.00 0.00 C ATOM 1657 NZ LYS A 119 -7.244 -21.227 -2.491 1.00 0.00 N ATOM 0 H LYS A 119 -4.630 -17.552 3.319 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.318 -18.254 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.825 -18.201 0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.425 -19.842 0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.490 -17.775 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.288 -18.040 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.962 -20.644 -0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.492 -19.792 -0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.603 -19.613 -2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.922 -19.137 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.316 -21.271 -3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.271 -21.454 -2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.900 -21.915 -2.069 1.00 0.00 H new