USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 684 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.41) USER MOD Single : A 27 SER OG : rot 76:sc= 0.893 USER MOD Single : A 31 THR OG1 : rot -160:sc=-0.00431 USER MOD Single : A 35 GLN : amide:sc= -2.33 X(o=-2.3,f=-2.3) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 178:sc= -2.39! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0623 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.26) USER MOD Single : A 85 ASN : amide:sc= 0.211 K(o=0.21,f=-1.9!) USER MOD Single : A 86 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.3!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -153:sc=-0.00795 (180deg=-0.355) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 37:sc= 0.298 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.863 15.590 3.864 1.00 0.00 N ATOM 118 CA PRO A 12 5.992 14.558 3.295 1.00 0.00 C ATOM 119 C PRO A 12 5.548 13.536 4.336 1.00 0.00 C ATOM 120 O PRO A 12 6.365 13.011 5.093 1.00 0.00 O ATOM 121 CB PRO A 12 6.875 13.892 2.236 1.00 0.00 C ATOM 122 CG PRO A 12 8.270 14.133 2.701 1.00 0.00 C ATOM 123 CD PRO A 12 8.252 15.469 3.390 1.00 0.00 C ATOM 0 HA PRO A 12 5.069 14.979 2.897 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.663 12.826 2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.706 14.325 1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.595 13.347 3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.966 14.136 1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.963 15.505 4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.515 16.277 2.707 1.00 0.00 H new ATOM 131 N ARG A 13 4.248 13.258 4.369 1.00 0.00 N ATOM 132 CA ARG A 13 3.696 12.300 5.318 1.00 0.00 C ATOM 133 C ARG A 13 2.671 11.394 4.642 1.00 0.00 C ATOM 134 O ARG A 13 1.756 11.868 3.968 1.00 0.00 O ATOM 135 CB ARG A 13 3.048 13.031 6.495 1.00 0.00 C ATOM 136 CG ARG A 13 4.050 13.585 7.495 1.00 0.00 C ATOM 137 CD ARG A 13 3.417 13.791 8.862 1.00 0.00 C ATOM 138 NE ARG A 13 4.233 14.647 9.719 1.00 0.00 N ATOM 139 CZ ARG A 13 4.328 15.963 9.566 1.00 0.00 C ATOM 140 NH1 ARG A 13 3.661 16.571 8.594 1.00 0.00 N ATOM 141 NH2 ARG A 13 5.091 16.675 10.387 1.00 0.00 N ATOM 0 H ARG A 13 3.558 13.683 3.749 1.00 0.00 H new ATOM 0 HA ARG A 13 4.514 11.682 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.439 13.850 6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.374 12.346 7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.894 12.901 7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.445 14.533 7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.429 14.235 8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.275 12.824 9.345 1.00 0.00 H new ATOM 0 HE ARG A 13 4.759 14.210 10.476 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.073 16.028 7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.736 17.582 8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.605 16.211 11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.163 17.686 10.268 1.00 0.00 H new ATOM 155 N PHE A 14 2.831 10.088 4.826 1.00 0.00 N ATOM 156 CA PHE A 14 1.921 9.115 4.233 1.00 0.00 C ATOM 157 C PHE A 14 0.602 9.066 4.999 1.00 0.00 C ATOM 158 O PHE A 14 0.545 9.412 6.179 1.00 0.00 O ATOM 159 CB PHE A 14 2.565 7.727 4.215 1.00 0.00 C ATOM 160 CG PHE A 14 3.755 7.631 3.303 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.587 7.431 1.942 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.041 7.741 3.807 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.680 7.341 1.101 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.138 7.652 2.971 1.00 0.00 C ATOM 165 CZ PHE A 14 5.957 7.453 1.616 1.00 0.00 C ATOM 0 H PHE A 14 3.582 9.679 5.381 1.00 0.00 H new ATOM 0 HA PHE A 14 1.715 9.426 3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.871 7.464 5.228 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.820 6.993 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.591 7.344 1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.188 7.898 4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.536 7.183 0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.135 7.738 3.376 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.812 7.385 0.960 1.00 0.00 H new ATOM 175 N GLU A 15 -0.455 8.633 4.319 1.00 0.00 N ATOM 176 CA GLU A 15 -1.773 8.539 4.936 1.00 0.00 C ATOM 177 C GLU A 15 -1.764 7.543 6.092 1.00 0.00 C ATOM 178 O GLU A 15 -2.229 7.845 7.191 1.00 0.00 O ATOM 179 CB GLU A 15 -2.818 8.124 3.898 1.00 0.00 C ATOM 180 CG GLU A 15 -2.948 9.100 2.741 1.00 0.00 C ATOM 181 CD GLU A 15 -4.346 9.128 2.156 1.00 0.00 C ATOM 182 OE1 GLU A 15 -5.316 8.982 2.930 1.00 0.00 O ATOM 183 OE2 GLU A 15 -4.472 9.296 0.925 1.00 0.00 O ATOM 0 H GLU A 15 -0.424 8.342 3.342 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.032 9.522 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.557 7.141 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.786 8.025 4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.681 10.100 3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.237 8.829 1.961 1.00 0.00 H new ATOM 190 N LYS A 16 -1.232 6.353 5.835 1.00 0.00 N ATOM 191 CA LYS A 16 -1.160 5.310 6.852 1.00 0.00 C ATOM 192 C LYS A 16 0.288 5.025 7.238 1.00 0.00 C ATOM 193 O LYS A 16 1.147 4.852 6.374 1.00 0.00 O ATOM 194 CB LYS A 16 -1.826 4.029 6.346 1.00 0.00 C ATOM 195 CG LYS A 16 -3.217 4.250 5.776 1.00 0.00 C ATOM 196 CD LYS A 16 -3.724 3.017 5.048 1.00 0.00 C ATOM 197 CE LYS A 16 -3.272 3.002 3.596 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.786 1.810 2.867 1.00 0.00 N ATOM 0 H LYS A 16 -0.844 6.086 4.930 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.690 5.663 7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.195 3.580 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.888 3.314 7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.905 4.506 6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.200 5.097 5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.362 2.121 5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.813 2.989 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.617 3.908 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.183 3.011 3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.456 1.837 1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.436 0.945 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.826 1.814 2.884 1.00 0.00 H new ATOM 212 N SER A 17 0.550 4.976 8.540 1.00 0.00 N ATOM 213 CA SER A 17 1.894 4.714 9.039 1.00 0.00 C ATOM 214 C SER A 17 2.409 3.370 8.533 1.00 0.00 C ATOM 215 O SER A 17 3.554 3.256 8.096 1.00 0.00 O ATOM 216 CB SER A 17 1.905 4.733 10.569 1.00 0.00 C ATOM 217 OG SER A 17 1.360 5.942 11.068 1.00 0.00 O ATOM 0 H SER A 17 -0.151 5.114 9.268 1.00 0.00 H new ATOM 0 HA SER A 17 2.552 5.499 8.667 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.332 3.888 10.950 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.927 4.615 10.930 1.00 0.00 H new ATOM 0 HG SER A 17 1.377 5.929 12.048 1.00 0.00 H new ATOM 223 N VAL A 18 1.555 2.354 8.596 1.00 0.00 N ATOM 224 CA VAL A 18 1.921 1.017 8.143 1.00 0.00 C ATOM 225 C VAL A 18 0.911 0.482 7.135 1.00 0.00 C ATOM 226 O VAL A 18 -0.132 -0.055 7.511 1.00 0.00 O ATOM 227 CB VAL A 18 2.023 0.033 9.323 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.451 -1.343 8.836 1.00 0.00 C ATOM 229 CG2 VAL A 18 2.990 0.560 10.374 1.00 0.00 C ATOM 0 H VAL A 18 0.604 2.431 8.957 1.00 0.00 H new ATOM 0 HA VAL A 18 2.897 1.101 7.665 1.00 0.00 H new ATOM 0 HB VAL A 18 1.039 -0.060 9.782 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.518 -2.025 9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.718 -1.721 8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.425 -1.271 8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.050 -0.148 11.201 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.978 0.684 9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.636 1.522 10.745 1.00 0.00 H new ATOM 239 N TYR A 19 1.226 0.631 5.853 1.00 0.00 N ATOM 240 CA TYR A 19 0.345 0.164 4.790 1.00 0.00 C ATOM 241 C TYR A 19 0.216 -1.356 4.817 1.00 0.00 C ATOM 242 O TYR A 19 1.158 -2.075 4.487 1.00 0.00 O ATOM 243 CB TYR A 19 0.870 0.618 3.427 1.00 0.00 C ATOM 244 CG TYR A 19 0.469 2.030 3.063 1.00 0.00 C ATOM 245 CD1 TYR A 19 0.794 3.100 3.887 1.00 0.00 C ATOM 246 CD2 TYR A 19 -0.235 2.293 1.894 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.429 4.391 3.559 1.00 0.00 C ATOM 248 CE2 TYR A 19 -0.603 3.582 1.557 1.00 0.00 C ATOM 249 CZ TYR A 19 -0.269 4.627 2.393 1.00 0.00 C ATOM 250 OH TYR A 19 -0.634 5.912 2.061 1.00 0.00 O ATOM 0 H TYR A 19 2.085 1.072 5.525 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.642 0.597 4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.958 0.546 3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.503 -0.064 2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.342 2.919 4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.499 1.477 1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.689 5.211 4.212 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.149 3.770 0.644 1.00 0.00 H new ATOM 0 HH TYR A 19 0.022 6.543 2.425 1.00 0.00 H new ATOM 260 N GLU A 20 -0.959 -1.836 5.213 1.00 0.00 N ATOM 261 CA GLU A 20 -1.212 -3.271 5.283 1.00 0.00 C ATOM 262 C GLU A 20 -2.127 -3.718 4.147 1.00 0.00 C ATOM 263 O GLU A 20 -3.252 -3.237 4.016 1.00 0.00 O ATOM 264 CB GLU A 20 -1.838 -3.635 6.631 1.00 0.00 C ATOM 265 CG GLU A 20 -1.557 -5.063 7.067 1.00 0.00 C ATOM 266 CD GLU A 20 -1.666 -5.247 8.568 1.00 0.00 C ATOM 267 OE1 GLU A 20 -2.697 -4.839 9.143 1.00 0.00 O ATOM 268 OE2 GLU A 20 -0.721 -5.801 9.168 1.00 0.00 O ATOM 0 H GLU A 20 -1.749 -1.254 5.490 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.258 -3.788 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.463 -2.951 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.916 -3.487 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.257 -5.735 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.557 -5.348 6.742 1.00 0.00 H new ATOM 275 N ALA A 21 -1.635 -4.642 3.328 1.00 0.00 N ATOM 276 CA ALA A 21 -2.408 -5.156 2.204 1.00 0.00 C ATOM 277 C ALA A 21 -2.166 -6.649 2.008 1.00 0.00 C ATOM 278 O ALA A 21 -1.149 -7.185 2.450 1.00 0.00 O ATOM 279 CB ALA A 21 -2.065 -4.392 0.934 1.00 0.00 C ATOM 0 H ALA A 21 -0.705 -5.050 3.422 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.465 -5.012 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.650 -4.787 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.296 -3.336 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.003 -4.506 0.717 1.00 0.00 H new ATOM 285 N ASP A 22 -3.104 -7.314 1.343 1.00 0.00 N ATOM 286 CA ASP A 22 -2.992 -8.745 1.088 1.00 0.00 C ATOM 287 C ASP A 22 -2.587 -9.009 -0.359 1.00 0.00 C ATOM 288 O ASP A 22 -3.278 -8.599 -1.293 1.00 0.00 O ATOM 289 CB ASP A 22 -4.316 -9.445 1.396 1.00 0.00 C ATOM 290 CG ASP A 22 -5.312 -9.327 0.259 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.557 -8.191 -0.199 1.00 0.00 O ATOM 292 OD2 ASP A 22 -5.845 -10.369 -0.173 1.00 0.00 O ATOM 0 H ASP A 22 -3.951 -6.885 0.971 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.218 -9.146 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.127 -10.499 1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.749 -9.016 2.300 1.00 0.00 H new ATOM 297 N LEU A 23 -1.463 -9.694 -0.538 1.00 0.00 N ATOM 298 CA LEU A 23 -0.965 -10.012 -1.872 1.00 0.00 C ATOM 299 C LEU A 23 -1.082 -11.507 -2.155 1.00 0.00 C ATOM 300 O LEU A 23 -0.527 -12.331 -1.429 1.00 0.00 O ATOM 301 CB LEU A 23 0.492 -9.568 -2.013 1.00 0.00 C ATOM 302 CG LEU A 23 1.024 -9.457 -3.442 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.512 -10.810 -3.936 1.00 0.00 C ATOM 304 CD2 LEU A 23 -0.048 -8.903 -4.369 1.00 0.00 C ATOM 0 H LEU A 23 -0.879 -10.040 0.224 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.575 -9.474 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.604 -8.598 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.120 -10.272 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 23 1.868 -8.767 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.887 -10.712 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.312 -11.167 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.687 -11.522 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.349 -8.831 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.912 -9.567 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.349 -7.913 -4.026 1.00 0.00 H new ATOM 316 N ALA A 24 -1.806 -11.848 -3.216 1.00 0.00 N ATOM 317 CA ALA A 24 -1.992 -13.242 -3.597 1.00 0.00 C ATOM 318 C ALA A 24 -0.707 -13.831 -4.168 1.00 0.00 C ATOM 319 O ALA A 24 -0.247 -13.424 -5.234 1.00 0.00 O ATOM 320 CB ALA A 24 -3.125 -13.367 -4.605 1.00 0.00 C ATOM 0 H ALA A 24 -2.273 -11.178 -3.827 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.253 -13.806 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.253 -14.414 -4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.048 -12.993 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.887 -12.784 -5.495 1.00 0.00 H new ATOM 326 N GLU A 25 -0.132 -14.792 -3.451 1.00 0.00 N ATOM 327 CA GLU A 25 1.102 -15.435 -3.886 1.00 0.00 C ATOM 328 C GLU A 25 1.076 -15.698 -5.389 1.00 0.00 C ATOM 329 O GLU A 25 2.115 -15.693 -6.049 1.00 0.00 O ATOM 330 CB GLU A 25 1.312 -16.749 -3.131 1.00 0.00 C ATOM 331 CG GLU A 25 0.246 -17.794 -3.417 1.00 0.00 C ATOM 332 CD GLU A 25 0.474 -19.085 -2.656 1.00 0.00 C ATOM 333 OE1 GLU A 25 0.140 -19.130 -1.453 1.00 0.00 O ATOM 334 OE2 GLU A 25 0.987 -20.049 -3.261 1.00 0.00 O ATOM 0 H GLU A 25 -0.501 -15.142 -2.567 1.00 0.00 H new ATOM 0 HA GLU A 25 1.930 -14.762 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.288 -17.157 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.330 -16.544 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.732 -17.391 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.228 -18.005 -4.486 1.00 0.00 H new ATOM 341 N ASN A 26 -0.118 -15.930 -5.924 1.00 0.00 N ATOM 342 CA ASN A 26 -0.280 -16.196 -7.349 1.00 0.00 C ATOM 343 C ASN A 26 -0.371 -14.894 -8.139 1.00 0.00 C ATOM 344 O ASN A 26 -1.045 -14.825 -9.166 1.00 0.00 O ATOM 345 CB ASN A 26 -1.531 -17.042 -7.592 1.00 0.00 C ATOM 346 CG ASN A 26 -1.480 -17.784 -8.913 1.00 0.00 C ATOM 347 OD1 ASN A 26 -1.029 -18.928 -8.979 1.00 0.00 O ATOM 348 ND2 ASN A 26 -1.942 -17.134 -9.975 1.00 0.00 N ATOM 0 H ASN A 26 -0.988 -15.939 -5.392 1.00 0.00 H new ATOM 0 HA ASN A 26 0.595 -16.747 -7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.644 -17.760 -6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.411 -16.398 -7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.932 -17.582 -10.891 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.307 -16.187 -9.874 1.00 0.00 H new ATOM 355 N SER A 27 0.314 -13.864 -7.652 1.00 0.00 N ATOM 356 CA SER A 27 0.308 -12.563 -8.310 1.00 0.00 C ATOM 357 C SER A 27 1.369 -12.504 -9.406 1.00 0.00 C ATOM 358 O SER A 27 2.552 -12.726 -9.151 1.00 0.00 O ATOM 359 CB SER A 27 0.550 -11.450 -7.289 1.00 0.00 C ATOM 360 OG SER A 27 -0.647 -11.109 -6.613 1.00 0.00 O ATOM 0 H SER A 27 0.880 -13.905 -6.804 1.00 0.00 H new ATOM 0 HA SER A 27 -0.671 -12.419 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.300 -11.772 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.950 -10.570 -7.793 1.00 0.00 H new ATOM 0 HG SER A 27 -0.857 -11.800 -5.950 1.00 0.00 H new ATOM 366 N ALA A 28 0.935 -12.202 -10.625 1.00 0.00 N ATOM 367 CA ALA A 28 1.846 -12.111 -11.759 1.00 0.00 C ATOM 368 C ALA A 28 2.994 -11.151 -11.465 1.00 0.00 C ATOM 369 O ALA A 28 2.976 -10.404 -10.487 1.00 0.00 O ATOM 370 CB ALA A 28 1.094 -11.670 -13.006 1.00 0.00 C ATOM 0 H ALA A 28 -0.042 -12.016 -10.853 1.00 0.00 H new ATOM 0 HA ALA A 28 2.269 -13.100 -11.934 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.787 -11.606 -13.845 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.312 -12.395 -13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.643 -10.693 -12.833 1.00 0.00 H new ATOM 376 N PRO A 29 4.019 -11.172 -12.330 1.00 0.00 N ATOM 377 CA PRO A 29 5.196 -10.309 -12.184 1.00 0.00 C ATOM 378 C PRO A 29 4.875 -8.842 -12.447 1.00 0.00 C ATOM 379 O PRO A 29 5.764 -7.991 -12.438 1.00 0.00 O ATOM 380 CB PRO A 29 6.161 -10.844 -13.244 1.00 0.00 C ATOM 381 CG PRO A 29 5.285 -11.479 -14.269 1.00 0.00 C ATOM 382 CD PRO A 29 4.108 -12.037 -13.518 1.00 0.00 C ATOM 0 HA PRO A 29 5.597 -10.334 -11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.758 -10.041 -13.676 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.858 -11.565 -12.817 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.963 -10.750 -15.013 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.817 -12.267 -14.803 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.196 -11.997 -14.113 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.264 -13.080 -13.244 1.00 0.00 H new ATOM 390 N GLY A 30 3.598 -8.552 -12.680 1.00 0.00 N ATOM 391 CA GLY A 30 3.183 -7.186 -12.941 1.00 0.00 C ATOM 392 C GLY A 30 1.816 -6.875 -12.367 1.00 0.00 C ATOM 393 O GLY A 30 1.054 -6.098 -12.942 1.00 0.00 O ATOM 0 H GLY A 30 2.844 -9.239 -12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.916 -6.500 -12.517 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.169 -7.013 -14.017 1.00 0.00 H new ATOM 397 N THR A 31 1.502 -7.485 -11.228 1.00 0.00 N ATOM 398 CA THR A 31 0.216 -7.272 -10.576 1.00 0.00 C ATOM 399 C THR A 31 0.282 -6.106 -9.597 1.00 0.00 C ATOM 400 O THR A 31 1.188 -6.010 -8.769 1.00 0.00 O ATOM 401 CB THR A 31 -0.249 -8.534 -9.824 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.441 -9.612 -10.747 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.544 -8.268 -9.070 1.00 0.00 C ATOM 0 H THR A 31 2.121 -8.131 -10.738 1.00 0.00 H new ATOM 0 HA THR A 31 -0.502 -7.042 -11.363 1.00 0.00 H new ATOM 0 HB THR A 31 0.523 -8.806 -9.104 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.021 -10.290 -10.342 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.853 -9.173 -8.547 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.386 -7.467 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.321 -7.973 -9.775 1.00 0.00 H new ATOM 411 N PRO A 32 -0.700 -5.197 -9.690 1.00 0.00 N ATOM 412 CA PRO A 32 -0.776 -4.021 -8.819 1.00 0.00 C ATOM 413 C PRO A 32 -1.118 -4.388 -7.379 1.00 0.00 C ATOM 414 O PRO A 32 -2.126 -5.045 -7.119 1.00 0.00 O ATOM 415 CB PRO A 32 -1.901 -3.190 -9.441 1.00 0.00 C ATOM 416 CG PRO A 32 -2.750 -4.180 -10.160 1.00 0.00 C ATOM 417 CD PRO A 32 -1.813 -5.248 -10.653 1.00 0.00 C ATOM 0 HA PRO A 32 0.177 -3.495 -8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.471 -2.661 -8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.506 -2.437 -10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.506 -4.600 -9.497 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.279 -3.711 -10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.291 -6.228 -10.664 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.474 -5.047 -11.669 1.00 0.00 H new ATOM 425 N ILE A 33 -0.274 -3.958 -6.447 1.00 0.00 N ATOM 426 CA ILE A 33 -0.489 -4.240 -5.033 1.00 0.00 C ATOM 427 C ILE A 33 -1.257 -3.109 -4.358 1.00 0.00 C ATOM 428 O ILE A 33 -2.382 -3.298 -3.893 1.00 0.00 O ATOM 429 CB ILE A 33 0.844 -4.454 -4.292 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.655 -5.562 -4.968 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.589 -4.792 -2.831 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.139 -5.481 -4.686 1.00 0.00 C ATOM 0 H ILE A 33 0.565 -3.413 -6.646 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.076 -5.157 -4.980 1.00 0.00 H new ATOM 0 HB ILE A 33 1.420 -3.530 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.282 -6.530 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.495 -5.513 -6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.541 -4.940 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.047 -3.973 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.003 -5.705 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.651 -6.297 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.526 -4.528 -5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.310 -5.560 -3.612 1.00 0.00 H new ATOM 444 N LEU A 34 -0.643 -1.932 -4.308 1.00 0.00 N ATOM 445 CA LEU A 34 -1.270 -0.768 -3.690 1.00 0.00 C ATOM 446 C LEU A 34 -0.560 0.517 -4.105 1.00 0.00 C ATOM 447 O LEU A 34 0.440 0.480 -4.822 1.00 0.00 O ATOM 448 CB LEU A 34 -1.254 -0.903 -2.167 1.00 0.00 C ATOM 449 CG LEU A 34 0.108 -1.190 -1.533 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.824 0.109 -1.198 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.054 -2.048 -0.287 1.00 0.00 C ATOM 0 H LEU A 34 0.288 -1.758 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.303 -0.718 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.646 0.018 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.939 -1.703 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 34 0.714 -1.741 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.791 -0.114 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.973 0.688 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.222 0.686 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.925 -2.242 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.678 -1.524 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.526 -2.993 -0.555 1.00 0.00 H new ATOM 463 N GLN A 35 -1.082 1.650 -3.648 1.00 0.00 N ATOM 464 CA GLN A 35 -0.497 2.946 -3.971 1.00 0.00 C ATOM 465 C GLN A 35 -0.100 3.695 -2.704 1.00 0.00 C ATOM 466 O GLN A 35 -0.789 3.623 -1.685 1.00 0.00 O ATOM 467 CB GLN A 35 -1.482 3.785 -4.787 1.00 0.00 C ATOM 468 CG GLN A 35 -1.015 5.213 -5.023 1.00 0.00 C ATOM 469 CD GLN A 35 -1.603 5.819 -6.281 1.00 0.00 C ATOM 470 OE1 GLN A 35 -2.795 5.675 -6.555 1.00 0.00 O ATOM 471 NE2 GLN A 35 -0.768 6.501 -7.056 1.00 0.00 N ATOM 0 H GLN A 35 -1.909 1.697 -3.053 1.00 0.00 H new ATOM 0 HA GLN A 35 0.401 2.773 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.647 3.302 -5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.442 3.806 -4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.290 5.827 -4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.073 5.229 -5.091 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.212 6.595 -6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.107 6.931 -7.917 1.00 0.00 H new ATOM 480 N LEU A 36 1.014 4.415 -2.772 1.00 0.00 N ATOM 481 CA LEU A 36 1.504 5.178 -1.629 1.00 0.00 C ATOM 482 C LEU A 36 1.188 6.662 -1.790 1.00 0.00 C ATOM 483 O LEU A 36 1.829 7.361 -2.574 1.00 0.00 O ATOM 484 CB LEU A 36 3.012 4.981 -1.467 1.00 0.00 C ATOM 485 CG LEU A 36 3.492 3.532 -1.369 1.00 0.00 C ATOM 486 CD1 LEU A 36 4.985 3.445 -1.648 1.00 0.00 C ATOM 487 CD2 LEU A 36 3.169 2.954 0.001 1.00 0.00 C ATOM 0 H LEU A 36 1.596 4.487 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 36 0.998 4.812 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.513 5.452 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.333 5.511 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 36 2.967 2.944 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.309 2.407 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.190 3.818 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.527 4.047 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.518 1.923 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.666 3.544 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.091 2.981 0.162 1.00 0.00 H new ATOM 499 N ARG A 37 0.198 7.135 -1.040 1.00 0.00 N ATOM 500 CA ARG A 37 -0.202 8.536 -1.099 1.00 0.00 C ATOM 501 C ARG A 37 0.700 9.396 -0.218 1.00 0.00 C ATOM 502 O ARG A 37 1.246 8.923 0.778 1.00 0.00 O ATOM 503 CB ARG A 37 -1.659 8.691 -0.661 1.00 0.00 C ATOM 504 CG ARG A 37 -2.653 8.599 -1.807 1.00 0.00 C ATOM 505 CD ARG A 37 -2.627 9.851 -2.669 1.00 0.00 C ATOM 506 NE ARG A 37 -2.971 9.565 -4.059 1.00 0.00 N ATOM 507 CZ ARG A 37 -3.340 10.497 -4.932 1.00 0.00 C ATOM 508 NH1 ARG A 37 -3.411 11.767 -4.559 1.00 0.00 N ATOM 509 NH2 ARG A 37 -3.638 10.158 -6.179 1.00 0.00 N ATOM 0 H ARG A 37 -0.341 6.569 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.102 8.874 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.892 7.921 0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.779 9.653 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.422 7.728 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.657 8.451 -1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.326 10.583 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.635 10.300 -2.626 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.926 8.597 -4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.182 12.031 -3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.694 12.481 -5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.584 9.182 -6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.921 10.874 -6.848 1.00 0.00 H new ATOM 697 N TYR A 51 8.504 8.434 -4.552 1.00 0.00 N ATOM 698 CA TYR A 51 8.431 7.238 -3.722 1.00 0.00 C ATOM 699 C TYR A 51 9.543 6.257 -4.080 1.00 0.00 C ATOM 700 O TYR A 51 9.551 5.678 -5.166 1.00 0.00 O ATOM 701 CB TYR A 51 7.068 6.562 -3.885 1.00 0.00 C ATOM 702 CG TYR A 51 5.907 7.531 -3.883 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.465 8.117 -5.063 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.254 7.860 -2.702 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.405 9.003 -5.066 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.192 8.744 -2.696 1.00 0.00 C ATOM 707 CZ TYR A 51 3.772 9.313 -3.881 1.00 0.00 C ATOM 708 OH TYR A 51 2.716 10.196 -3.879 1.00 0.00 O ATOM 0 HA TYR A 51 8.559 7.540 -2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.060 6.000 -4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.930 5.842 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.958 7.876 -5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.582 7.417 -1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.074 9.450 -5.992 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.694 8.988 -1.769 1.00 0.00 H new ATOM 0 HH TYR A 51 2.382 10.304 -2.964 1.00 0.00 H new ATOM 718 N VAL A 52 10.483 6.076 -3.157 1.00 0.00 N ATOM 719 CA VAL A 52 11.601 5.165 -3.372 1.00 0.00 C ATOM 720 C VAL A 52 11.692 4.133 -2.254 1.00 0.00 C ATOM 721 O VAL A 52 10.997 4.235 -1.242 1.00 0.00 O ATOM 722 CB VAL A 52 12.936 5.927 -3.463 1.00 0.00 C ATOM 723 CG1 VAL A 52 12.943 6.850 -4.673 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.191 6.709 -2.184 1.00 0.00 C ATOM 0 H VAL A 52 10.492 6.549 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 52 11.417 4.656 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 52 13.741 5.202 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.894 7.380 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.810 6.261 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.130 7.571 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.139 7.241 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.384 7.426 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.233 6.021 -1.339 1.00 0.00 H new ATOM 734 N PHE A 53 12.554 3.140 -2.442 1.00 0.00 N ATOM 735 CA PHE A 53 12.737 2.088 -1.448 1.00 0.00 C ATOM 736 C PHE A 53 13.590 2.582 -0.284 1.00 0.00 C ATOM 737 O PHE A 53 14.697 3.082 -0.480 1.00 0.00 O ATOM 738 CB PHE A 53 13.388 0.860 -2.088 1.00 0.00 C ATOM 739 CG PHE A 53 12.397 -0.147 -2.598 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.237 0.265 -3.235 1.00 0.00 C ATOM 741 CD2 PHE A 53 12.625 -1.504 -2.442 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.323 -0.660 -3.704 1.00 0.00 C ATOM 743 CE2 PHE A 53 11.715 -2.433 -2.910 1.00 0.00 C ATOM 744 CZ PHE A 53 10.563 -2.011 -3.543 1.00 0.00 C ATOM 0 H PHE A 53 13.137 3.041 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 53 11.755 1.811 -1.064 1.00 0.00 H new ATOM 0 HB2 PHE A 53 14.022 1.184 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 53 14.038 0.380 -1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.045 1.320 -3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 53 13.525 -1.840 -1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.421 -0.327 -4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.905 -3.488 -2.781 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.851 -2.735 -3.911 1.00 0.00 H new ATOM 754 N GLY A 54 13.067 2.437 0.930 1.00 0.00 N ATOM 755 CA GLY A 54 13.793 2.873 2.108 1.00 0.00 C ATOM 756 C GLY A 54 14.609 1.758 2.732 1.00 0.00 C ATOM 757 O GLY A 54 15.811 1.651 2.493 1.00 0.00 O ATOM 0 H GLY A 54 12.153 2.025 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.455 3.696 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.087 3.258 2.844 1.00 0.00 H new ATOM 761 N ALA A 55 13.954 0.926 3.536 1.00 0.00 N ATOM 762 CA ALA A 55 14.626 -0.186 4.196 1.00 0.00 C ATOM 763 C ALA A 55 14.089 -1.524 3.700 1.00 0.00 C ATOM 764 O ALA A 55 13.259 -2.152 4.357 1.00 0.00 O ATOM 765 CB ALA A 55 14.468 -0.078 5.705 1.00 0.00 C ATOM 0 H ALA A 55 12.959 1.002 3.746 1.00 0.00 H new ATOM 0 HA ALA A 55 15.686 -0.136 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.975 -0.915 6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.907 0.858 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.409 -0.099 5.962 1.00 0.00 H new ATOM 771 N ALA A 56 14.566 -1.954 2.537 1.00 0.00 N ATOM 772 CA ALA A 56 14.134 -3.219 1.954 1.00 0.00 C ATOM 773 C ALA A 56 15.317 -4.158 1.743 1.00 0.00 C ATOM 774 O ALA A 56 16.469 -3.783 1.964 1.00 0.00 O ATOM 775 CB ALA A 56 13.411 -2.974 0.638 1.00 0.00 C ATOM 0 H ALA A 56 15.252 -1.445 1.979 1.00 0.00 H new ATOM 0 HA ALA A 56 13.445 -3.696 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.094 -3.927 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.537 -2.347 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.083 -2.473 -0.058 1.00 0.00 H new ATOM 781 N THR A 57 15.025 -5.382 1.315 1.00 0.00 N ATOM 782 CA THR A 57 16.064 -6.376 1.076 1.00 0.00 C ATOM 783 C THR A 57 16.411 -6.464 -0.406 1.00 0.00 C ATOM 784 O THR A 57 15.806 -5.784 -1.235 1.00 0.00 O ATOM 785 CB THR A 57 15.634 -7.769 1.574 1.00 0.00 C ATOM 786 OG1 THR A 57 14.724 -8.363 0.642 1.00 0.00 O ATOM 787 CG2 THR A 57 14.977 -7.675 2.942 1.00 0.00 C ATOM 0 H THR A 57 14.077 -5.709 1.127 1.00 0.00 H new ATOM 0 HA THR A 57 16.943 -6.054 1.634 1.00 0.00 H new ATOM 0 HB THR A 57 16.525 -8.392 1.658 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.482 -9.262 0.949 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.682 -8.671 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 57 15.682 -7.249 3.656 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.095 -7.037 2.879 1.00 0.00 H new ATOM 795 N GLU A 58 17.388 -7.305 -0.732 1.00 0.00 N ATOM 796 CA GLU A 58 17.814 -7.480 -2.115 1.00 0.00 C ATOM 797 C GLU A 58 16.823 -8.349 -2.884 1.00 0.00 C ATOM 798 O GLU A 58 16.751 -8.290 -4.112 1.00 0.00 O ATOM 799 CB GLU A 58 19.208 -8.109 -2.167 1.00 0.00 C ATOM 800 CG GLU A 58 19.301 -9.443 -1.447 1.00 0.00 C ATOM 801 CD GLU A 58 19.565 -9.288 0.038 1.00 0.00 C ATOM 802 OE1 GLU A 58 20.742 -9.110 0.416 1.00 0.00 O ATOM 803 OE2 GLU A 58 18.595 -9.344 0.823 1.00 0.00 O ATOM 0 H GLU A 58 17.899 -7.875 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 58 17.849 -6.497 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.496 -8.247 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.926 -7.417 -1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.372 -9.995 -1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 58 20.098 -10.038 -1.894 1.00 0.00 H new ATOM 810 N SER A 59 16.062 -9.157 -2.153 1.00 0.00 N ATOM 811 CA SER A 59 15.078 -10.042 -2.765 1.00 0.00 C ATOM 812 C SER A 59 13.722 -9.352 -2.878 1.00 0.00 C ATOM 813 O SER A 59 12.838 -9.809 -3.602 1.00 0.00 O ATOM 814 CB SER A 59 14.942 -11.329 -1.950 1.00 0.00 C ATOM 815 OG SER A 59 14.590 -12.423 -2.779 1.00 0.00 O ATOM 0 H SER A 59 16.108 -9.217 -1.136 1.00 0.00 H new ATOM 0 HA SER A 59 15.424 -10.291 -3.768 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.882 -11.542 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.185 -11.196 -1.178 1.00 0.00 H new ATOM 0 HG SER A 59 14.511 -13.234 -2.234 1.00 0.00 H new ATOM 821 N VAL A 60 13.565 -8.247 -2.155 1.00 0.00 N ATOM 822 CA VAL A 60 12.318 -7.492 -2.174 1.00 0.00 C ATOM 823 C VAL A 60 12.338 -6.425 -3.262 1.00 0.00 C ATOM 824 O VAL A 60 11.299 -6.073 -3.820 1.00 0.00 O ATOM 825 CB VAL A 60 12.049 -6.819 -0.815 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.853 -5.885 -0.909 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.834 -7.868 0.266 1.00 0.00 C ATOM 0 H VAL A 60 14.286 -7.855 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 60 11.520 -8.204 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 60 12.922 -6.225 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.678 -5.419 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.052 -5.113 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.970 -6.453 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.645 -7.375 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.978 -8.490 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.724 -8.492 0.350 1.00 0.00 H new ATOM 837 N ARG A 61 13.528 -5.913 -3.559 1.00 0.00 N ATOM 838 CA ARG A 61 13.684 -4.884 -4.581 1.00 0.00 C ATOM 839 C ARG A 61 13.629 -5.494 -5.979 1.00 0.00 C ATOM 840 O ARG A 61 13.372 -4.798 -6.961 1.00 0.00 O ATOM 841 CB ARG A 61 15.006 -4.141 -4.389 1.00 0.00 C ATOM 842 CG ARG A 61 16.230 -5.036 -4.497 1.00 0.00 C ATOM 843 CD ARG A 61 17.517 -4.238 -4.361 1.00 0.00 C ATOM 844 NE ARG A 61 18.676 -4.982 -4.847 1.00 0.00 N ATOM 845 CZ ARG A 61 19.931 -4.574 -4.690 1.00 0.00 C ATOM 846 NH1 ARG A 61 20.187 -3.435 -4.062 1.00 0.00 N ATOM 847 NH2 ARG A 61 20.932 -5.307 -5.161 1.00 0.00 N ATOM 0 H ARG A 61 14.398 -6.194 -3.107 1.00 0.00 H new ATOM 0 HA ARG A 61 12.860 -4.178 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.079 -3.349 -5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.004 -3.660 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.192 -5.802 -3.722 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.221 -5.553 -5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.426 -3.305 -4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.670 -3.972 -3.315 1.00 0.00 H new ATOM 0 HE ARG A 61 18.513 -5.863 -5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.420 -2.870 -3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 61 21.151 -3.124 -3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.738 -6.184 -5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 61 21.895 -4.993 -5.040 1.00 0.00 H new ATOM 861 N ARG A 62 13.872 -6.798 -6.060 1.00 0.00 N ATOM 862 CA ARG A 62 13.853 -7.501 -7.337 1.00 0.00 C ATOM 863 C ARG A 62 12.554 -8.283 -7.507 1.00 0.00 C ATOM 864 O ARG A 62 12.181 -8.655 -8.621 1.00 0.00 O ATOM 865 CB ARG A 62 15.049 -8.449 -7.440 1.00 0.00 C ATOM 866 CG ARG A 62 14.887 -9.724 -6.629 1.00 0.00 C ATOM 867 CD ARG A 62 16.125 -10.603 -6.719 1.00 0.00 C ATOM 868 NE ARG A 62 16.376 -11.057 -8.084 1.00 0.00 N ATOM 869 CZ ARG A 62 17.085 -10.366 -8.970 1.00 0.00 C ATOM 870 NH1 ARG A 62 17.610 -9.196 -8.636 1.00 0.00 N ATOM 871 NH2 ARG A 62 17.269 -10.846 -10.194 1.00 0.00 N ATOM 0 H ARG A 62 14.084 -7.389 -5.256 1.00 0.00 H new ATOM 0 HA ARG A 62 13.917 -6.759 -8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.205 -8.711 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.945 -7.927 -7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.694 -9.471 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.020 -10.277 -6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.990 -10.048 -6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.004 -11.467 -6.066 1.00 0.00 H new ATOM 0 HE ARG A 62 15.986 -11.954 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.470 -8.824 -7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.154 -8.668 -9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.866 -11.746 -10.455 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.813 -10.315 -10.874 1.00 0.00 H new ATOM 885 N LEU A 63 11.869 -8.531 -6.396 1.00 0.00 N ATOM 886 CA LEU A 63 10.611 -9.270 -6.422 1.00 0.00 C ATOM 887 C LEU A 63 9.426 -8.322 -6.572 1.00 0.00 C ATOM 888 O LEU A 63 8.346 -8.725 -7.007 1.00 0.00 O ATOM 889 CB LEU A 63 10.458 -10.098 -5.145 1.00 0.00 C ATOM 890 CG LEU A 63 9.078 -10.711 -4.904 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.860 -11.910 -5.815 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.920 -11.113 -3.445 1.00 0.00 C ATOM 0 H LEU A 63 12.163 -8.232 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 63 10.628 -9.939 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.192 -10.903 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.706 -9.465 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 63 8.323 -9.960 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.873 -12.333 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.929 -11.594 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.621 -12.663 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.932 -11.547 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.683 -11.847 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.032 -10.233 -2.811 1.00 0.00 H new ATOM 904 N LEU A 64 9.634 -7.061 -6.212 1.00 0.00 N ATOM 905 CA LEU A 64 8.583 -6.054 -6.309 1.00 0.00 C ATOM 906 C LEU A 64 9.098 -4.794 -6.999 1.00 0.00 C ATOM 907 O LEU A 64 10.283 -4.472 -6.920 1.00 0.00 O ATOM 908 CB LEU A 64 8.053 -5.706 -4.917 1.00 0.00 C ATOM 909 CG LEU A 64 7.476 -6.868 -4.109 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.682 -6.637 -2.620 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.999 -7.054 -4.422 1.00 0.00 C ATOM 0 H LEU A 64 10.521 -6.711 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 64 7.771 -6.468 -6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.864 -5.258 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.280 -4.945 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 64 8.004 -7.779 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.265 -7.474 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.748 -6.555 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.181 -5.716 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.605 -7.886 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.456 -6.143 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.876 -7.266 -5.484 1.00 0.00 H new ATOM 923 N ARG A 65 8.198 -4.086 -7.673 1.00 0.00 N ATOM 924 CA ARG A 65 8.561 -2.861 -8.376 1.00 0.00 C ATOM 925 C ARG A 65 7.683 -1.696 -7.928 1.00 0.00 C ATOM 926 O ARG A 65 6.471 -1.844 -7.768 1.00 0.00 O ATOM 927 CB ARG A 65 8.433 -3.058 -9.888 1.00 0.00 C ATOM 928 CG ARG A 65 8.603 -1.776 -10.686 1.00 0.00 C ATOM 929 CD ARG A 65 10.054 -1.558 -11.087 1.00 0.00 C ATOM 930 NE ARG A 65 10.821 -0.904 -10.031 1.00 0.00 N ATOM 931 CZ ARG A 65 11.955 -0.245 -10.246 1.00 0.00 C ATOM 932 NH1 ARG A 65 12.449 -0.153 -11.473 1.00 0.00 N ATOM 933 NH2 ARG A 65 12.596 0.323 -9.232 1.00 0.00 N ATOM 0 H ARG A 65 7.213 -4.339 -7.747 1.00 0.00 H new ATOM 0 HA ARG A 65 9.597 -2.627 -8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.179 -3.782 -10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.455 -3.486 -10.109 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.980 -1.817 -11.579 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.257 -0.929 -10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.512 -2.518 -11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.093 -0.952 -11.992 1.00 0.00 H new ATOM 0 HE ARG A 65 10.467 -0.956 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.959 -0.588 -12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.319 0.353 -11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.218 0.254 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.466 0.829 -9.398 1.00 0.00 H new ATOM 947 N LEU A 66 8.302 -0.538 -7.727 1.00 0.00 N ATOM 948 CA LEU A 66 7.578 0.652 -7.296 1.00 0.00 C ATOM 949 C LEU A 66 7.904 1.842 -8.193 1.00 0.00 C ATOM 950 O LEU A 66 9.071 2.147 -8.436 1.00 0.00 O ATOM 951 CB LEU A 66 7.921 0.985 -5.843 1.00 0.00 C ATOM 952 CG LEU A 66 7.524 2.381 -5.363 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.061 2.407 -4.949 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.414 2.821 -4.209 1.00 0.00 C ATOM 0 H LEU A 66 9.304 -0.398 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 66 6.511 0.444 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.438 0.250 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.996 0.869 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 66 7.660 3.080 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.796 3.409 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.437 2.135 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.899 1.696 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.117 3.817 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.310 2.119 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.453 2.842 -4.538 1.00 0.00 H new ATOM 966 N ASP A 67 6.865 2.511 -8.681 1.00 0.00 N ATOM 967 CA ASP A 67 7.040 3.670 -9.548 1.00 0.00 C ATOM 968 C ASP A 67 7.253 4.937 -8.726 1.00 0.00 C ATOM 969 O ASP A 67 6.468 5.245 -7.829 1.00 0.00 O ATOM 970 CB ASP A 67 5.826 3.838 -10.463 1.00 0.00 C ATOM 971 CG ASP A 67 5.942 3.024 -11.736 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.008 3.085 -12.384 1.00 0.00 O ATOM 973 OD2 ASP A 67 4.968 2.325 -12.084 1.00 0.00 O ATOM 0 H ASP A 67 5.892 2.270 -8.491 1.00 0.00 H new ATOM 0 HA ASP A 67 7.926 3.503 -10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.926 3.540 -9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.710 4.891 -10.718 1.00 0.00 H new ATOM 978 N GLU A 68 8.319 5.667 -9.038 1.00 0.00 N ATOM 979 CA GLU A 68 8.635 6.900 -8.326 1.00 0.00 C ATOM 980 C GLU A 68 7.941 8.095 -8.973 1.00 0.00 C ATOM 981 O GLU A 68 7.753 9.136 -8.342 1.00 0.00 O ATOM 982 CB GLU A 68 10.148 7.127 -8.300 1.00 0.00 C ATOM 983 CG GLU A 68 10.544 8.594 -8.326 1.00 0.00 C ATOM 984 CD GLU A 68 11.954 8.826 -7.820 1.00 0.00 C ATOM 985 OE1 GLU A 68 12.286 8.312 -6.732 1.00 0.00 O ATOM 986 OE2 GLU A 68 12.725 9.523 -8.512 1.00 0.00 O ATOM 0 H GLU A 68 8.978 5.426 -9.778 1.00 0.00 H new ATOM 0 HA GLU A 68 8.272 6.802 -7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.561 6.664 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.597 6.623 -9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.461 8.971 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.844 9.166 -7.717 1.00 0.00 H new ATOM 993 N THR A 69 7.562 7.939 -10.238 1.00 0.00 N ATOM 994 CA THR A 69 6.891 9.004 -10.972 1.00 0.00 C ATOM 995 C THR A 69 5.408 9.062 -10.623 1.00 0.00 C ATOM 996 O THR A 69 4.783 10.120 -10.701 1.00 0.00 O ATOM 997 CB THR A 69 7.042 8.819 -12.493 1.00 0.00 C ATOM 998 OG1 THR A 69 6.237 9.779 -13.186 1.00 0.00 O ATOM 999 CG2 THR A 69 6.637 7.414 -12.911 1.00 0.00 C ATOM 0 H THR A 69 7.709 7.084 -10.775 1.00 0.00 H new ATOM 0 HA THR A 69 7.367 9.939 -10.678 1.00 0.00 H new ATOM 0 HB THR A 69 8.090 8.970 -12.752 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.340 9.655 -14.153 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.752 7.308 -13.990 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.272 6.687 -12.405 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.596 7.239 -12.638 1.00 0.00 H new ATOM 1007 N SER A 70 4.850 7.919 -10.238 1.00 0.00 N ATOM 1008 CA SER A 70 3.439 7.839 -9.880 1.00 0.00 C ATOM 1009 C SER A 70 3.270 7.418 -8.424 1.00 0.00 C ATOM 1010 O SER A 70 2.337 7.846 -7.746 1.00 0.00 O ATOM 1011 CB SER A 70 2.714 6.851 -10.796 1.00 0.00 C ATOM 1012 OG SER A 70 2.922 5.515 -10.372 1.00 0.00 O ATOM 0 H SER A 70 5.354 7.035 -10.166 1.00 0.00 H new ATOM 0 HA SER A 70 3.001 8.829 -10.006 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.647 7.072 -10.802 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.070 6.971 -11.819 1.00 0.00 H new ATOM 0 HG SER A 70 2.447 4.903 -10.973 1.00 0.00 H new ATOM 1018 N GLY A 71 4.182 6.574 -7.949 1.00 0.00 N ATOM 1019 CA GLY A 71 4.118 6.108 -6.576 1.00 0.00 C ATOM 1020 C GLY A 71 3.292 4.845 -6.431 1.00 0.00 C ATOM 1021 O GLY A 71 2.860 4.502 -5.331 1.00 0.00 O ATOM 0 H GLY A 71 4.964 6.205 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.128 5.922 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.692 6.891 -5.949 1.00 0.00 H new ATOM 1025 N TRP A 72 3.071 4.154 -7.543 1.00 0.00 N ATOM 1026 CA TRP A 72 2.289 2.923 -7.535 1.00 0.00 C ATOM 1027 C TRP A 72 3.176 1.716 -7.248 1.00 0.00 C ATOM 1028 O TRP A 72 4.245 1.565 -7.841 1.00 0.00 O ATOM 1029 CB TRP A 72 1.575 2.739 -8.875 1.00 0.00 C ATOM 1030 CG TRP A 72 0.203 3.342 -8.904 1.00 0.00 C ATOM 1031 CD1 TRP A 72 -0.129 4.605 -9.305 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -1.020 2.708 -8.515 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.485 4.794 -9.188 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -2.055 3.645 -8.706 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.343 1.439 -8.025 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.386 3.351 -8.424 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.665 1.150 -7.745 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.673 2.102 -7.946 1.00 0.00 C ATOM 0 H TRP A 72 3.422 4.425 -8.462 1.00 0.00 H new ATOM 0 HA TRP A 72 1.545 3.000 -6.742 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.178 3.187 -9.665 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.501 1.674 -9.096 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.571 5.346 -9.662 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.986 5.651 -9.422 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.573 0.698 -7.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -4.165 4.083 -8.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.926 0.173 -7.365 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.697 1.845 -7.719 1.00 0.00 H new ATOM 1049 N LEU A 73 2.728 0.861 -6.337 1.00 0.00 N ATOM 1050 CA LEU A 73 3.482 -0.334 -5.972 1.00 0.00 C ATOM 1051 C LEU A 73 2.853 -1.582 -6.582 1.00 0.00 C ATOM 1052 O LEU A 73 1.669 -1.854 -6.383 1.00 0.00 O ATOM 1053 CB LEU A 73 3.548 -0.474 -4.450 1.00 0.00 C ATOM 1054 CG LEU A 73 4.812 -1.128 -3.891 1.00 0.00 C ATOM 1055 CD1 LEU A 73 4.869 -0.972 -2.379 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.868 -2.598 -4.279 1.00 0.00 C ATOM 0 H LEU A 73 1.846 0.972 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 73 4.493 -0.230 -6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.451 0.518 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.686 -1.055 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 73 5.679 -0.626 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.775 -1.443 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.876 0.087 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.997 -1.448 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.774 -3.047 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.996 -3.114 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.874 -2.688 -5.365 1.00 0.00 H new ATOM 1068 N SER A 74 3.655 -2.339 -7.325 1.00 0.00 N ATOM 1069 CA SER A 74 3.176 -3.559 -7.965 1.00 0.00 C ATOM 1070 C SER A 74 4.240 -4.652 -7.916 1.00 0.00 C ATOM 1071 O SER A 74 5.317 -4.460 -7.351 1.00 0.00 O ATOM 1072 CB SER A 74 2.785 -3.278 -9.418 1.00 0.00 C ATOM 1073 OG SER A 74 3.923 -2.951 -10.198 1.00 0.00 O ATOM 0 H SER A 74 4.638 -2.129 -7.498 1.00 0.00 H new ATOM 0 HA SER A 74 2.298 -3.905 -7.420 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.290 -4.152 -9.840 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.068 -2.458 -9.453 1.00 0.00 H new ATOM 0 HG SER A 74 3.647 -2.778 -11.122 1.00 0.00 H new ATOM 1079 N VAL A 75 3.929 -5.799 -8.511 1.00 0.00 N ATOM 1080 CA VAL A 75 4.857 -6.923 -8.536 1.00 0.00 C ATOM 1081 C VAL A 75 5.786 -6.841 -9.742 1.00 0.00 C ATOM 1082 O VAL A 75 5.460 -6.213 -10.749 1.00 0.00 O ATOM 1083 CB VAL A 75 4.108 -8.269 -8.569 1.00 0.00 C ATOM 1084 CG1 VAL A 75 5.090 -9.428 -8.511 1.00 0.00 C ATOM 1085 CG2 VAL A 75 3.106 -8.349 -7.427 1.00 0.00 C ATOM 0 H VAL A 75 3.041 -5.974 -8.982 1.00 0.00 H new ATOM 0 HA VAL A 75 5.447 -6.867 -7.621 1.00 0.00 H new ATOM 0 HB VAL A 75 3.559 -8.337 -9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.543 -10.370 -8.535 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.763 -9.377 -9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.669 -9.368 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.586 -9.306 -7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.631 -8.259 -6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.383 -7.539 -7.520 1.00 0.00 H new ATOM 1095 N LEU A 76 6.945 -7.481 -9.632 1.00 0.00 N ATOM 1096 CA LEU A 76 7.924 -7.482 -10.714 1.00 0.00 C ATOM 1097 C LEU A 76 8.257 -8.907 -11.146 1.00 0.00 C ATOM 1098 O LEU A 76 8.450 -9.178 -12.332 1.00 0.00 O ATOM 1099 CB LEU A 76 9.198 -6.758 -10.277 1.00 0.00 C ATOM 1100 CG LEU A 76 10.223 -6.479 -11.376 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.665 -5.489 -12.387 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.521 -5.957 -10.776 1.00 0.00 C ATOM 0 H LEU A 76 7.230 -8.006 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 76 7.489 -6.957 -11.564 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.915 -5.808 -9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.681 -7.351 -9.500 1.00 0.00 H new ATOM 0 HG LEU A 76 10.436 -7.415 -11.893 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.408 -5.302 -13.162 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.764 -5.901 -12.841 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.422 -4.553 -11.884 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.239 -5.764 -11.573 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.325 -5.033 -10.233 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.930 -6.700 -10.092 1.00 0.00 H new ATOM 1114 N HIS A 77 8.321 -9.814 -10.177 1.00 0.00 N ATOM 1115 CA HIS A 77 8.628 -11.212 -10.457 1.00 0.00 C ATOM 1116 C HIS A 77 7.676 -12.138 -9.706 1.00 0.00 C ATOM 1117 O HIS A 77 7.147 -11.780 -8.654 1.00 0.00 O ATOM 1118 CB HIS A 77 10.074 -11.526 -10.071 1.00 0.00 C ATOM 1119 CG HIS A 77 11.073 -11.119 -11.110 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.879 -11.321 -12.460 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.280 -10.517 -10.990 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.924 -10.862 -13.126 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.788 -10.369 -12.257 1.00 0.00 N ATOM 0 H HIS A 77 8.164 -9.606 -9.191 1.00 0.00 H new ATOM 0 HA HIS A 77 8.501 -11.379 -11.527 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.309 -11.020 -9.135 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.168 -12.596 -9.888 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.755 -10.210 -10.070 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.050 -10.886 -14.198 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.687 -9.947 -12.489 1.00 0.00 H new ATOM 1132 N ARG A 78 7.462 -13.329 -10.255 1.00 0.00 N ATOM 1133 CA ARG A 78 6.572 -14.306 -9.638 1.00 0.00 C ATOM 1134 C ARG A 78 6.801 -14.374 -8.131 1.00 0.00 C ATOM 1135 O ARG A 78 7.906 -14.120 -7.649 1.00 0.00 O ATOM 1136 CB ARG A 78 6.786 -15.687 -10.260 1.00 0.00 C ATOM 1137 CG ARG A 78 6.364 -15.770 -11.718 1.00 0.00 C ATOM 1138 CD ARG A 78 7.037 -16.935 -12.428 1.00 0.00 C ATOM 1139 NE ARG A 78 8.479 -16.738 -12.557 1.00 0.00 N ATOM 1140 CZ ARG A 78 9.274 -17.558 -13.234 1.00 0.00 C ATOM 1141 NH1 ARG A 78 8.771 -18.625 -13.840 1.00 0.00 N ATOM 1142 NH2 ARG A 78 10.576 -17.312 -13.305 1.00 0.00 N ATOM 0 H ARG A 78 7.892 -13.641 -11.126 1.00 0.00 H new ATOM 0 HA ARG A 78 5.545 -13.989 -9.818 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.840 -15.953 -10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.226 -16.425 -9.686 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.281 -15.882 -11.779 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.617 -14.839 -12.225 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.845 -17.855 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.598 -17.059 -13.418 1.00 0.00 H new ATOM 0 HE ARG A 78 8.898 -15.927 -12.102 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.771 -18.818 -13.787 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.384 -19.253 -14.359 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.966 -16.493 -12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.186 -17.942 -13.825 1.00 0.00 H new ATOM 1156 N ILE A 79 5.751 -14.718 -7.393 1.00 0.00 N ATOM 1157 CA ILE A 79 5.838 -14.821 -5.942 1.00 0.00 C ATOM 1158 C ILE A 79 5.409 -16.202 -5.461 1.00 0.00 C ATOM 1159 O ILE A 79 4.311 -16.666 -5.773 1.00 0.00 O ATOM 1160 CB ILE A 79 4.969 -13.755 -5.249 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.548 -12.359 -5.487 1.00 0.00 C ATOM 1162 CG2 ILE A 79 4.863 -14.044 -3.759 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.555 -11.244 -5.246 1.00 0.00 C ATOM 0 H ILE A 79 4.830 -14.930 -7.776 1.00 0.00 H new ATOM 0 HA ILE A 79 6.882 -14.656 -5.677 1.00 0.00 H new ATOM 0 HB ILE A 79 3.967 -13.790 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.409 -12.215 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.912 -12.295 -6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.246 -13.282 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.409 -15.024 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.858 -14.034 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.034 -10.283 -5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.705 -11.363 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.210 -11.281 -4.213 1.00 0.00 H new ATOM 1175 N ASP A 80 6.280 -16.855 -4.700 1.00 0.00 N ATOM 1176 CA ASP A 80 5.990 -18.184 -4.173 1.00 0.00 C ATOM 1177 C ASP A 80 5.875 -18.152 -2.652 1.00 0.00 C ATOM 1178 O ASP A 80 6.881 -18.072 -1.946 1.00 0.00 O ATOM 1179 CB ASP A 80 7.078 -19.172 -4.595 1.00 0.00 C ATOM 1180 CG ASP A 80 6.551 -20.585 -4.743 1.00 0.00 C ATOM 1181 OD1 ASP A 80 5.883 -21.072 -3.806 1.00 0.00 O ATOM 1182 OD2 ASP A 80 6.805 -21.205 -5.797 1.00 0.00 O ATOM 0 H ASP A 80 7.193 -16.486 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 80 5.035 -18.511 -4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.512 -18.848 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.880 -19.162 -3.857 1.00 0.00 H new ATOM 1187 N ARG A 81 4.645 -18.214 -2.155 1.00 0.00 N ATOM 1188 CA ARG A 81 4.399 -18.190 -0.718 1.00 0.00 C ATOM 1189 C ARG A 81 5.428 -19.038 0.024 1.00 0.00 C ATOM 1190 O ARG A 81 5.750 -18.769 1.181 1.00 0.00 O ATOM 1191 CB ARG A 81 2.989 -18.697 -0.411 1.00 0.00 C ATOM 1192 CG ARG A 81 2.672 -18.756 1.074 1.00 0.00 C ATOM 1193 CD ARG A 81 3.050 -20.103 1.671 1.00 0.00 C ATOM 1194 NE ARG A 81 2.594 -20.237 3.052 1.00 0.00 N ATOM 1195 CZ ARG A 81 2.430 -21.406 3.662 1.00 0.00 C ATOM 1196 NH1 ARG A 81 2.683 -22.535 3.016 1.00 0.00 N ATOM 1197 NH2 ARG A 81 2.011 -21.446 4.920 1.00 0.00 N ATOM 0 H ARG A 81 3.802 -18.281 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 81 4.489 -17.159 -0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.264 -18.049 -0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.869 -19.692 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.209 -17.963 1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.608 -18.574 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.618 -20.901 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.132 -20.225 1.633 1.00 0.00 H new ATOM 0 HE ARG A 81 2.390 -19.387 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.004 -22.508 2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.556 -23.431 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.814 -20.579 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.885 -22.344 5.387 1.00 0.00 H new ATOM 1211 N GLU A 82 5.940 -20.063 -0.651 1.00 0.00 N ATOM 1212 CA GLU A 82 6.931 -20.951 -0.055 1.00 0.00 C ATOM 1213 C GLU A 82 8.205 -20.187 0.296 1.00 0.00 C ATOM 1214 O GLU A 82 8.698 -20.266 1.421 1.00 0.00 O ATOM 1215 CB GLU A 82 7.260 -22.100 -1.010 1.00 0.00 C ATOM 1216 CG GLU A 82 6.218 -23.206 -1.013 1.00 0.00 C ATOM 1217 CD GLU A 82 6.529 -24.298 -2.018 1.00 0.00 C ATOM 1218 OE1 GLU A 82 6.813 -23.964 -3.187 1.00 0.00 O ATOM 1219 OE2 GLU A 82 6.489 -25.486 -1.636 1.00 0.00 O ATOM 0 H GLU A 82 5.685 -20.298 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 82 6.508 -21.361 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.360 -21.704 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.226 -22.523 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.154 -23.642 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.241 -22.779 -1.237 1.00 0.00 H new ATOM 1226 N GLU A 83 8.731 -19.447 -0.675 1.00 0.00 N ATOM 1227 CA GLU A 83 9.947 -18.670 -0.469 1.00 0.00 C ATOM 1228 C GLU A 83 9.715 -17.556 0.547 1.00 0.00 C ATOM 1229 O GLU A 83 10.645 -17.110 1.220 1.00 0.00 O ATOM 1230 CB GLU A 83 10.429 -18.075 -1.794 1.00 0.00 C ATOM 1231 CG GLU A 83 9.585 -16.909 -2.280 1.00 0.00 C ATOM 1232 CD GLU A 83 10.368 -15.947 -3.153 1.00 0.00 C ATOM 1233 OE1 GLU A 83 11.066 -16.417 -4.075 1.00 0.00 O ATOM 1234 OE2 GLU A 83 10.282 -14.724 -2.913 1.00 0.00 O ATOM 0 H GLU A 83 8.334 -19.369 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 83 10.714 -19.339 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.461 -17.743 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.428 -18.855 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.732 -17.291 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.186 -16.371 -1.420 1.00 0.00 H new ATOM 1241 N VAL A 84 8.468 -17.109 0.653 1.00 0.00 N ATOM 1242 CA VAL A 84 8.112 -16.047 1.586 1.00 0.00 C ATOM 1243 C VAL A 84 6.648 -16.148 2.001 1.00 0.00 C ATOM 1244 O VAL A 84 5.759 -16.242 1.157 1.00 0.00 O ATOM 1245 CB VAL A 84 8.368 -14.656 0.978 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.861 -14.395 0.850 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.679 -14.531 -0.373 1.00 0.00 C ATOM 0 H VAL A 84 7.687 -17.466 0.104 1.00 0.00 H new ATOM 0 HA VAL A 84 8.745 -16.172 2.465 1.00 0.00 H new ATOM 0 HB VAL A 84 7.948 -13.904 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.022 -13.407 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.324 -14.440 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.308 -15.150 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.870 -13.542 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.067 -15.291 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.605 -14.671 -0.248 1.00 0.00 H new ATOM 1257 N ASN A 85 6.406 -16.125 3.308 1.00 0.00 N ATOM 1258 CA ASN A 85 5.049 -16.214 3.835 1.00 0.00 C ATOM 1259 C ASN A 85 4.471 -14.824 4.084 1.00 0.00 C ATOM 1260 O ASN A 85 3.254 -14.650 4.143 1.00 0.00 O ATOM 1261 CB ASN A 85 5.036 -17.024 5.133 1.00 0.00 C ATOM 1262 CG ASN A 85 6.192 -16.668 6.049 1.00 0.00 C ATOM 1263 OD1 ASN A 85 7.341 -17.020 5.783 1.00 0.00 O ATOM 1264 ND2 ASN A 85 5.890 -15.966 7.135 1.00 0.00 N ATOM 0 H ASN A 85 7.131 -16.046 4.021 1.00 0.00 H new ATOM 0 HA ASN A 85 4.430 -16.719 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.095 -16.852 5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.079 -18.087 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.625 -15.697 7.789 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.923 -15.696 7.315 1.00 0.00 H new ATOM 1271 N GLN A 86 5.352 -13.840 4.229 1.00 0.00 N ATOM 1272 CA GLN A 86 4.929 -12.466 4.472 1.00 0.00 C ATOM 1273 C GLN A 86 6.100 -11.501 4.325 1.00 0.00 C ATOM 1274 O GLN A 86 7.084 -11.586 5.061 1.00 0.00 O ATOM 1275 CB GLN A 86 4.319 -12.337 5.869 1.00 0.00 C ATOM 1276 CG GLN A 86 3.942 -10.912 6.239 1.00 0.00 C ATOM 1277 CD GLN A 86 2.979 -10.847 7.408 1.00 0.00 C ATOM 1278 OE1 GLN A 86 2.154 -11.742 7.598 1.00 0.00 O ATOM 1279 NE2 GLN A 86 3.078 -9.786 8.200 1.00 0.00 N ATOM 0 H GLN A 86 6.363 -13.968 4.182 1.00 0.00 H new ATOM 0 HA GLN A 86 4.175 -12.209 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.431 -12.966 5.928 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.029 -12.718 6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.845 -10.354 6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.492 -10.423 5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.776 -9.068 8.006 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.456 -9.689 9.003 1.00 0.00 H new ATOM 1288 N LEU A 87 5.989 -10.584 3.370 1.00 0.00 N ATOM 1289 CA LEU A 87 7.040 -9.602 3.126 1.00 0.00 C ATOM 1290 C LEU A 87 6.863 -8.380 4.022 1.00 0.00 C ATOM 1291 O LEU A 87 5.752 -8.071 4.453 1.00 0.00 O ATOM 1292 CB LEU A 87 7.036 -9.176 1.657 1.00 0.00 C ATOM 1293 CG LEU A 87 7.161 -10.303 0.631 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.444 -9.934 -0.658 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.624 -10.617 0.358 1.00 0.00 C ATOM 0 H LEU A 87 5.182 -10.500 2.752 1.00 0.00 H new ATOM 0 HA LEU A 87 7.998 -10.066 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.112 -8.633 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.857 -8.476 1.500 1.00 0.00 H new ATOM 0 HG LEU A 87 6.689 -11.196 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.544 -10.748 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.388 -9.761 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.885 -9.028 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.693 -11.421 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.120 -9.728 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.109 -10.927 1.284 1.00 0.00 H new ATOM 1307 N ARG A 88 7.964 -7.689 4.296 1.00 0.00 N ATOM 1308 CA ARG A 88 7.930 -6.500 5.139 1.00 0.00 C ATOM 1309 C ARG A 88 9.067 -5.548 4.783 1.00 0.00 C ATOM 1310 O ARG A 88 10.237 -5.838 5.037 1.00 0.00 O ATOM 1311 CB ARG A 88 8.023 -6.893 6.615 1.00 0.00 C ATOM 1312 CG ARG A 88 7.300 -5.935 7.547 1.00 0.00 C ATOM 1313 CD ARG A 88 7.628 -6.221 9.004 1.00 0.00 C ATOM 1314 NE ARG A 88 9.004 -5.860 9.336 1.00 0.00 N ATOM 1315 CZ ARG A 88 9.420 -5.611 10.573 1.00 0.00 C ATOM 1316 NH1 ARG A 88 8.571 -5.684 11.589 1.00 0.00 N ATOM 1317 NH2 ARG A 88 10.688 -5.289 10.796 1.00 0.00 N ATOM 0 H ARG A 88 8.891 -7.932 3.947 1.00 0.00 H new ATOM 0 HA ARG A 88 6.983 -5.989 4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.609 -7.893 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.073 -6.944 6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.579 -4.910 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.224 -6.017 7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.943 -5.667 9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.471 -7.280 9.210 1.00 0.00 H new ATOM 0 HE ARG A 88 9.682 -5.796 8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.596 -5.932 11.422 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.893 -5.492 12.538 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.344 -5.232 10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.006 -5.098 11.746 1.00 0.00 H new ATOM 1331 N PHE A 89 8.717 -4.411 4.191 1.00 0.00 N ATOM 1332 CA PHE A 89 9.708 -3.416 3.798 1.00 0.00 C ATOM 1333 C PHE A 89 9.236 -2.009 4.152 1.00 0.00 C ATOM 1334 O PHE A 89 8.179 -1.829 4.758 1.00 0.00 O ATOM 1335 CB PHE A 89 9.988 -3.510 2.297 1.00 0.00 C ATOM 1336 CG PHE A 89 8.745 -3.516 1.454 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.081 -2.334 1.166 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.239 -4.703 0.950 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.937 -2.336 0.391 1.00 0.00 C ATOM 1340 CE2 PHE A 89 7.096 -4.711 0.174 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.443 -3.526 -0.105 1.00 0.00 C ATOM 0 H PHE A 89 7.754 -4.156 3.973 1.00 0.00 H new ATOM 0 HA PHE A 89 10.628 -3.620 4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.615 -2.670 1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.557 -4.418 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.462 -1.400 1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.744 -5.633 1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.430 -1.408 0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.713 -5.643 -0.214 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.548 -3.530 -0.710 1.00 0.00 H new ATOM 1351 N THR A 90 10.027 -1.012 3.768 1.00 0.00 N ATOM 1352 CA THR A 90 9.693 0.380 4.045 1.00 0.00 C ATOM 1353 C THR A 90 9.960 1.262 2.831 1.00 0.00 C ATOM 1354 O THR A 90 10.889 1.013 2.063 1.00 0.00 O ATOM 1355 CB THR A 90 10.493 0.921 5.245 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.591 -0.082 6.261 1.00 0.00 O ATOM 1357 CG2 THR A 90 9.833 2.167 5.817 1.00 0.00 C ATOM 0 H THR A 90 10.904 -1.143 3.264 1.00 0.00 H new ATOM 0 HA THR A 90 8.630 0.409 4.284 1.00 0.00 H new ATOM 0 HB THR A 90 11.492 1.184 4.898 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.102 0.270 7.020 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.415 2.531 6.663 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.787 2.939 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.824 1.924 6.149 1.00 0.00 H new ATOM 1365 N VAL A 91 9.139 2.293 2.663 1.00 0.00 N ATOM 1366 CA VAL A 91 9.287 3.214 1.542 1.00 0.00 C ATOM 1367 C VAL A 91 9.587 4.628 2.028 1.00 0.00 C ATOM 1368 O VAL A 91 9.062 5.067 3.051 1.00 0.00 O ATOM 1369 CB VAL A 91 8.021 3.242 0.666 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.853 1.923 -0.073 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.795 3.547 1.513 1.00 0.00 C ATOM 0 H VAL A 91 8.364 2.512 3.289 1.00 0.00 H new ATOM 0 HA VAL A 91 10.124 2.853 0.945 1.00 0.00 H new ATOM 0 HB VAL A 91 8.130 4.034 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.953 1.962 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.720 1.750 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.765 1.110 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.909 3.563 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.680 2.778 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.916 4.519 1.992 1.00 0.00 H new ATOM 1381 N MET A 92 10.434 5.335 1.288 1.00 0.00 N ATOM 1382 CA MET A 92 10.802 6.701 1.643 1.00 0.00 C ATOM 1383 C MET A 92 10.184 7.701 0.670 1.00 0.00 C ATOM 1384 O MET A 92 9.933 7.378 -0.491 1.00 0.00 O ATOM 1385 CB MET A 92 12.324 6.856 1.653 1.00 0.00 C ATOM 1386 CG MET A 92 12.966 6.459 2.972 1.00 0.00 C ATOM 1387 SD MET A 92 14.583 7.219 3.214 1.00 0.00 S ATOM 1388 CE MET A 92 15.375 6.832 1.655 1.00 0.00 C ATOM 0 H MET A 92 10.878 4.985 0.439 1.00 0.00 H new ATOM 0 HA MET A 92 10.417 6.906 2.642 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.748 6.248 0.854 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.577 7.893 1.433 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.308 6.745 3.793 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.069 5.375 3.009 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.455 6.785 1.797 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.015 5.869 1.293 1.00 0.00 H new ATOM 0 HE3 MET A 92 15.138 7.606 0.925 1.00 0.00 H new ATOM 1398 N ALA A 93 9.941 8.916 1.152 1.00 0.00 N ATOM 1399 CA ALA A 93 9.355 9.962 0.324 1.00 0.00 C ATOM 1400 C ALA A 93 10.118 11.274 0.475 1.00 0.00 C ATOM 1401 O ALA A 93 10.059 11.920 1.521 1.00 0.00 O ATOM 1402 CB ALA A 93 7.889 10.159 0.682 1.00 0.00 C ATOM 0 H ALA A 93 10.141 9.199 2.111 1.00 0.00 H new ATOM 0 HA ALA A 93 9.425 9.648 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.464 10.943 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.346 9.228 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.806 10.447 1.730 1.00 0.00 H new ATOM 1408 N ARG A 94 10.835 11.660 -0.576 1.00 0.00 N ATOM 1409 CA ARG A 94 11.611 12.894 -0.559 1.00 0.00 C ATOM 1410 C ARG A 94 10.751 14.083 -0.975 1.00 0.00 C ATOM 1411 O ARG A 94 9.866 13.957 -1.821 1.00 0.00 O ATOM 1412 CB ARG A 94 12.819 12.774 -1.491 1.00 0.00 C ATOM 1413 CG ARG A 94 13.701 11.572 -1.192 1.00 0.00 C ATOM 1414 CD ARG A 94 14.840 11.455 -2.193 1.00 0.00 C ATOM 1415 NE ARG A 94 14.414 10.814 -3.435 1.00 0.00 N ATOM 1416 CZ ARG A 94 15.054 10.952 -4.590 1.00 0.00 C ATOM 1417 NH1 ARG A 94 16.143 11.704 -4.663 1.00 0.00 N ATOM 1418 NH2 ARG A 94 14.604 10.337 -5.677 1.00 0.00 N ATOM 0 H ARG A 94 10.894 11.136 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 94 11.961 13.060 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.468 12.709 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.418 13.682 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 94 14.108 11.659 -0.185 1.00 0.00 H new ATOM 0 HG3 ARG A 94 13.100 10.663 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.232 12.448 -2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.654 10.882 -1.750 1.00 0.00 H new ATOM 0 HE ARG A 94 13.579 10.228 -3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 94 16.492 12.179 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.632 11.808 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.766 9.758 -5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.096 10.444 -6.564 1.00 0.00 H new ATOM 1520 N LYS A 101 13.809 15.928 3.535 1.00 0.00 N ATOM 1521 CA LYS A 101 13.023 15.287 4.582 1.00 0.00 C ATOM 1522 C LYS A 101 12.349 14.022 4.061 1.00 0.00 C ATOM 1523 O LYS A 101 11.254 14.076 3.499 1.00 0.00 O ATOM 1524 CB LYS A 101 11.967 16.256 5.120 1.00 0.00 C ATOM 1525 CG LYS A 101 12.538 17.346 6.010 1.00 0.00 C ATOM 1526 CD LYS A 101 12.714 16.862 7.440 1.00 0.00 C ATOM 1527 CE LYS A 101 12.800 18.027 8.415 1.00 0.00 C ATOM 1528 NZ LYS A 101 13.025 17.564 9.813 1.00 0.00 N ATOM 0 HA LYS A 101 13.699 15.009 5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.449 16.719 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.222 15.693 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.500 17.674 5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.876 18.212 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.878 16.218 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.618 16.258 7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.612 18.691 8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.879 18.608 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.078 18.387 10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.238 16.951 10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.917 17.031 9.863 1.00 0.00 H new ATOM 1542 N THR A 102 13.008 12.884 4.251 1.00 0.00 N ATOM 1543 CA THR A 102 12.473 11.606 3.800 1.00 0.00 C ATOM 1544 C THR A 102 11.634 10.946 4.889 1.00 0.00 C ATOM 1545 O THR A 102 12.096 10.761 6.015 1.00 0.00 O ATOM 1546 CB THR A 102 13.599 10.642 3.380 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.505 10.442 4.471 1.00 0.00 O ATOM 1548 CG2 THR A 102 14.357 11.185 2.179 1.00 0.00 C ATOM 0 H THR A 102 13.914 12.821 4.715 1.00 0.00 H new ATOM 0 HA THR A 102 11.843 11.815 2.936 1.00 0.00 H new ATOM 0 HB THR A 102 13.147 9.689 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.004 10.420 5.313 1.00 0.00 H new ATOM 0 HG21 THR A 102 15.147 10.487 1.901 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.671 11.309 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.798 12.149 2.432 1.00 0.00 H new ATOM 1556 N ASP A 103 10.401 10.592 4.546 1.00 0.00 N ATOM 1557 CA ASP A 103 9.498 9.950 5.494 1.00 0.00 C ATOM 1558 C ASP A 103 9.392 8.454 5.217 1.00 0.00 C ATOM 1559 O ASP A 103 9.200 8.035 4.075 1.00 0.00 O ATOM 1560 CB ASP A 103 8.112 10.594 5.426 1.00 0.00 C ATOM 1561 CG ASP A 103 7.249 10.237 6.621 1.00 0.00 C ATOM 1562 OD1 ASP A 103 7.345 9.088 7.101 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.479 11.108 7.077 1.00 0.00 O ATOM 0 H ASP A 103 10.003 10.739 3.618 1.00 0.00 H new ATOM 0 HA ASP A 103 9.905 10.087 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 103 8.220 11.677 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.611 10.276 4.512 1.00 0.00 H new ATOM 1568 N LYS A 104 9.518 7.652 6.268 1.00 0.00 N ATOM 1569 CA LYS A 104 9.437 6.202 6.139 1.00 0.00 C ATOM 1570 C LYS A 104 8.026 5.707 6.444 1.00 0.00 C ATOM 1571 O LYS A 104 7.348 6.239 7.322 1.00 0.00 O ATOM 1572 CB LYS A 104 10.439 5.529 7.080 1.00 0.00 C ATOM 1573 CG LYS A 104 11.853 5.479 6.527 1.00 0.00 C ATOM 1574 CD LYS A 104 12.840 4.974 7.566 1.00 0.00 C ATOM 1575 CE LYS A 104 14.264 5.387 7.228 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.192 5.166 8.372 1.00 0.00 N ATOM 0 H LYS A 104 9.677 7.982 7.220 1.00 0.00 H new ATOM 0 HA LYS A 104 9.681 5.939 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.448 6.063 8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.103 4.513 7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.880 4.829 5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.150 6.474 6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.570 5.365 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.780 3.887 7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.611 4.820 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.280 6.440 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.152 5.460 8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.876 5.726 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.197 4.157 8.625 1.00 0.00 H new ATOM 1590 N ALA A 105 7.592 4.686 5.713 1.00 0.00 N ATOM 1591 CA ALA A 105 6.264 4.117 5.908 1.00 0.00 C ATOM 1592 C ALA A 105 6.284 2.602 5.736 1.00 0.00 C ATOM 1593 O ALA A 105 6.486 2.094 4.633 1.00 0.00 O ATOM 1594 CB ALA A 105 5.273 4.747 4.940 1.00 0.00 C ATOM 0 H ALA A 105 8.140 4.236 4.980 1.00 0.00 H new ATOM 0 HA ALA A 105 5.949 4.336 6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.285 4.313 5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.228 5.822 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.594 4.558 3.916 1.00 0.00 H new ATOM 1600 N THR A 106 6.076 1.884 6.835 1.00 0.00 N ATOM 1601 CA THR A 106 6.072 0.427 6.807 1.00 0.00 C ATOM 1602 C THR A 106 4.996 -0.102 5.866 1.00 0.00 C ATOM 1603 O THR A 106 3.911 0.471 5.763 1.00 0.00 O ATOM 1604 CB THR A 106 5.845 -0.162 8.212 1.00 0.00 C ATOM 1605 OG1 THR A 106 6.790 0.391 9.134 1.00 0.00 O ATOM 1606 CG2 THR A 106 5.976 -1.678 8.191 1.00 0.00 C ATOM 0 H THR A 106 5.908 2.288 7.756 1.00 0.00 H new ATOM 0 HA THR A 106 7.052 0.116 6.445 1.00 0.00 H new ATOM 0 HB THR A 106 4.835 0.095 8.531 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.638 0.013 10.025 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.812 -2.071 9.194 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.235 -2.098 7.511 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.975 -1.952 7.853 1.00 0.00 H new ATOM 1614 N VAL A 107 5.302 -1.200 5.181 1.00 0.00 N ATOM 1615 CA VAL A 107 4.359 -1.807 4.250 1.00 0.00 C ATOM 1616 C VAL A 107 4.261 -3.313 4.471 1.00 0.00 C ATOM 1617 O VAL A 107 5.114 -4.075 4.016 1.00 0.00 O ATOM 1618 CB VAL A 107 4.764 -1.540 2.788 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.872 -2.322 1.835 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.705 -0.050 2.483 1.00 0.00 C ATOM 0 H VAL A 107 6.195 -1.687 5.254 1.00 0.00 H new ATOM 0 HA VAL A 107 3.388 -1.350 4.440 1.00 0.00 H new ATOM 0 HB VAL A 107 5.791 -1.877 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.173 -2.121 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.968 -3.388 2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.835 -2.018 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.994 0.121 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.690 0.314 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.389 0.484 3.143 1.00 0.00 H new ATOM 1630 N VAL A 108 3.214 -3.735 5.172 1.00 0.00 N ATOM 1631 CA VAL A 108 3.003 -5.150 5.453 1.00 0.00 C ATOM 1632 C VAL A 108 2.165 -5.807 4.362 1.00 0.00 C ATOM 1633 O VAL A 108 1.049 -5.373 4.074 1.00 0.00 O ATOM 1634 CB VAL A 108 2.308 -5.355 6.812 1.00 0.00 C ATOM 1635 CG1 VAL A 108 1.986 -6.825 7.031 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.176 -4.817 7.940 1.00 0.00 C ATOM 0 H VAL A 108 2.499 -3.117 5.556 1.00 0.00 H new ATOM 0 HA VAL A 108 3.987 -5.617 5.483 1.00 0.00 H new ATOM 0 HB VAL A 108 1.370 -4.799 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.495 -6.950 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.323 -7.174 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.908 -7.406 7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.670 -4.970 8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.130 -5.343 7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.350 -3.752 7.789 1.00 0.00 H new ATOM 1646 N LEU A 109 2.709 -6.858 3.758 1.00 0.00 N ATOM 1647 CA LEU A 109 2.011 -7.577 2.698 1.00 0.00 C ATOM 1648 C LEU A 109 1.793 -9.037 3.083 1.00 0.00 C ATOM 1649 O LEU A 109 2.742 -9.817 3.158 1.00 0.00 O ATOM 1650 CB LEU A 109 2.803 -7.495 1.392 1.00 0.00 C ATOM 1651 CG LEU A 109 3.131 -6.087 0.894 1.00 0.00 C ATOM 1652 CD1 LEU A 109 4.025 -6.150 -0.335 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.854 -5.319 0.587 1.00 0.00 C ATOM 0 H LEU A 109 3.631 -7.231 3.984 1.00 0.00 H new ATOM 0 HA LEU A 109 1.037 -7.109 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.738 -8.040 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.239 -8.011 0.615 1.00 0.00 H new ATOM 0 HG LEU A 109 3.668 -5.560 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.248 -5.139 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.954 -6.661 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.514 -6.695 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.107 -4.319 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.290 -5.844 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.249 -5.243 1.491 1.00 0.00 H new ATOM 1665 N ASN A 110 0.537 -9.400 3.323 1.00 0.00 N ATOM 1666 CA ASN A 110 0.195 -10.767 3.698 1.00 0.00 C ATOM 1667 C ASN A 110 0.096 -11.661 2.465 1.00 0.00 C ATOM 1668 O ASN A 110 -0.827 -11.526 1.661 1.00 0.00 O ATOM 1669 CB ASN A 110 -1.128 -10.790 4.466 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.936 -10.575 5.955 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -0.905 -11.528 6.733 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.807 -9.316 6.358 1.00 0.00 N ATOM 0 H ASN A 110 -0.260 -8.767 3.264 1.00 0.00 H new ATOM 0 HA ASN A 110 0.988 -11.151 4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.787 -10.016 4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.624 -11.746 4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.676 -9.108 7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.839 -8.557 5.677 1.00 0.00 H new ATOM 1679 N ILE A 111 1.052 -12.572 2.325 1.00 0.00 N ATOM 1680 CA ILE A 111 1.072 -13.489 1.192 1.00 0.00 C ATOM 1681 C ILE A 111 -0.106 -14.456 1.247 1.00 0.00 C ATOM 1682 O ILE A 111 -0.017 -15.527 1.847 1.00 0.00 O ATOM 1683 CB ILE A 111 2.383 -14.296 1.143 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.584 -13.354 1.041 1.00 0.00 C ATOM 1685 CG2 ILE A 111 2.363 -15.268 -0.027 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.658 -12.611 -0.274 1.00 0.00 C ATOM 0 H ILE A 111 1.823 -12.695 2.982 1.00 0.00 H new ATOM 0 HA ILE A 111 0.997 -12.879 0.291 1.00 0.00 H new ATOM 0 HB ILE A 111 2.474 -14.870 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.539 -12.631 1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.500 -13.930 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.296 -15.831 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.526 -15.957 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 111 2.252 -14.713 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.534 -11.962 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.735 -13.327 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.759 -12.008 -0.402 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.210 -14.073 0.614 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.406 -14.906 0.587 1.00 0.00 C ATOM 1700 C LYS A 112 -2.288 -15.993 -0.476 1.00 0.00 C ATOM 1701 O LYS A 112 -1.274 -16.090 -1.168 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.644 -14.048 0.320 1.00 0.00 C ATOM 1703 CG LYS A 112 -3.974 -13.087 1.449 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.583 -13.812 2.638 1.00 0.00 C ATOM 1705 CE LYS A 112 -5.570 -12.928 3.384 1.00 0.00 C ATOM 1706 NZ LYS A 112 -5.723 -13.344 4.806 1.00 0.00 N ATOM 0 H LYS A 112 -1.301 -13.190 0.112 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.507 -15.385 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.490 -13.479 -0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.499 -14.702 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.068 -12.568 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.668 -12.327 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.089 -14.715 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -3.791 -14.129 3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.233 -11.892 3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.540 -12.967 2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -6.404 -12.717 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.069 -14.324 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -4.803 -13.282 5.287 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.330 -16.806 -0.603 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.344 -17.885 -1.584 1.00 0.00 C ATOM 1722 C ASP A 113 -4.688 -17.948 -2.303 1.00 0.00 C ATOM 1723 O ASP A 113 -5.743 -17.934 -1.669 1.00 0.00 O ATOM 1724 CB ASP A 113 -3.051 -19.224 -0.906 1.00 0.00 C ATOM 1725 CG ASP A 113 -2.524 -20.261 -1.878 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -2.835 -20.157 -3.083 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -1.803 -21.179 -1.434 1.00 0.00 O ATOM 0 H ASP A 113 -4.177 -16.739 -0.039 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.567 -17.683 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.322 -19.073 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.962 -19.598 -0.438 1.00 0.00 H new