USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 526 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 19 LYS NZ :NH3+ -178:sc= 0.00277 (180deg=0) USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0.00202 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 148:sc= -3.21 (180deg=-6.45!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 27:sc= -0.111 USER MOD Single : A 42 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-0.82) USER MOD Single : A 45 LYS NZ :NH3+ -137:sc= 1.85 (180deg=0.401) USER MOD Single : A 47 HIS : no HD1:sc= -0.937 X(o=-0.94,f=-0.71) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.359 USER MOD Single : A 57 TYR OH : rot -15:sc= -1.06 USER MOD Single : A 63 SER OG : rot -83:sc= 0.533 USER MOD Single : A 67 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-4.5!) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.435 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -136:sc= 1.59 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 80 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 14.956 0.465 -1.012 1.00 0.00 N ATOM 158 CA PHE A 14 13.734 -0.330 -1.038 1.00 0.00 C ATOM 159 C PHE A 14 14.041 -1.807 -0.804 1.00 0.00 C ATOM 160 O PHE A 14 15.077 -2.311 -1.236 1.00 0.00 O ATOM 161 CB PHE A 14 13.014 -0.153 -2.377 1.00 0.00 C ATOM 162 CG PHE A 14 12.334 1.178 -2.520 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.076 2.335 -2.691 1.00 0.00 C ATOM 164 CD2 PHE A 14 10.952 1.272 -2.484 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.454 3.562 -2.823 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.324 2.496 -2.617 1.00 0.00 C ATOM 167 CZ PHE A 14 11.076 3.643 -2.785 1.00 0.00 C ATOM 0 HA PHE A 14 13.085 0.020 -0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.734 -0.273 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.273 -0.945 -2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.154 2.278 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.359 0.379 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.045 4.456 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.246 2.556 -2.590 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.587 4.601 -2.886 1.00 0.00 H new ATOM 177 N GLN A 15 13.133 -2.492 -0.117 1.00 0.00 N ATOM 178 CA GLN A 15 13.308 -3.910 0.176 1.00 0.00 C ATOM 179 C GLN A 15 12.233 -4.744 -0.513 1.00 0.00 C ATOM 180 O GLN A 15 11.232 -4.212 -0.993 1.00 0.00 O ATOM 181 CB GLN A 15 13.265 -4.149 1.686 1.00 0.00 C ATOM 182 CG GLN A 15 14.310 -3.358 2.457 1.00 0.00 C ATOM 183 CD GLN A 15 14.163 -3.505 3.959 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.842 -2.544 4.659 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.396 -4.711 4.462 1.00 0.00 N ATOM 0 H GLN A 15 12.270 -2.089 0.247 1.00 0.00 H new ATOM 0 HA GLN A 15 14.282 -4.217 -0.206 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.275 -3.887 2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.408 -5.212 1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.304 -3.690 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.233 -2.304 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.660 -5.479 3.845 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.311 -4.870 5.466 1.00 0.00 H new ATOM 194 N LYS A 16 12.447 -6.054 -0.559 1.00 0.00 N ATOM 195 CA LYS A 16 11.497 -6.964 -1.189 1.00 0.00 C ATOM 196 C LYS A 16 10.526 -7.534 -0.160 1.00 0.00 C ATOM 197 O LYS A 16 10.842 -7.619 1.027 1.00 0.00 O ATOM 198 CB LYS A 16 12.239 -8.103 -1.891 1.00 0.00 C ATOM 199 CG LYS A 16 12.644 -7.776 -3.318 1.00 0.00 C ATOM 200 CD LYS A 16 13.833 -8.611 -3.766 1.00 0.00 C ATOM 201 CE LYS A 16 15.126 -8.123 -3.131 1.00 0.00 C ATOM 202 NZ LYS A 16 16.156 -9.198 -3.074 1.00 0.00 N ATOM 0 H LYS A 16 13.271 -6.510 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 16 10.927 -6.400 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.131 -8.352 -1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.605 -8.990 -1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.801 -7.954 -3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.893 -6.717 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.667 -9.655 -3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.921 -8.569 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.514 -7.278 -3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.922 -7.762 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.022 -8.826 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.796 -9.994 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.370 -9.525 -4.038 1.00 0.00 H new ATOM 216 N LYS A 17 9.344 -7.925 -0.622 1.00 0.00 N ATOM 217 CA LYS A 17 8.327 -8.490 0.257 1.00 0.00 C ATOM 218 C LYS A 17 7.784 -7.432 1.212 1.00 0.00 C ATOM 219 O LYS A 17 7.290 -7.753 2.292 1.00 0.00 O ATOM 220 CB LYS A 17 8.905 -9.663 1.052 1.00 0.00 C ATOM 221 CG LYS A 17 9.619 -10.690 0.190 1.00 0.00 C ATOM 222 CD LYS A 17 9.923 -11.958 0.971 1.00 0.00 C ATOM 223 CE LYS A 17 10.620 -12.993 0.102 1.00 0.00 C ATOM 224 NZ LYS A 17 9.651 -13.781 -0.708 1.00 0.00 N ATOM 0 H LYS A 17 9.066 -7.861 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 17 7.506 -8.849 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.602 -9.278 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.098 -10.155 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.002 -10.933 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.547 -10.265 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.552 -11.717 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.996 -12.376 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.326 -12.494 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.198 -13.667 0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.166 -14.475 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.993 -14.278 -0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.117 -13.141 -1.330 1.00 0.00 H new ATOM 238 N MET A 18 7.879 -6.171 0.805 1.00 0.00 N ATOM 239 CA MET A 18 7.394 -5.066 1.625 1.00 0.00 C ATOM 240 C MET A 18 6.214 -4.369 0.956 1.00 0.00 C ATOM 241 O MET A 18 5.811 -4.731 -0.150 1.00 0.00 O ATOM 242 CB MET A 18 8.519 -4.060 1.879 1.00 0.00 C ATOM 243 CG MET A 18 8.675 -3.031 0.771 1.00 0.00 C ATOM 244 SD MET A 18 9.817 -1.706 1.210 1.00 0.00 S ATOM 245 CE MET A 18 9.798 -0.732 -0.293 1.00 0.00 C ATOM 0 H MET A 18 8.287 -5.888 -0.086 1.00 0.00 H new ATOM 0 HA MET A 18 7.058 -5.474 2.579 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.328 -3.543 2.819 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.458 -4.600 1.997 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.030 -3.527 -0.133 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.700 -2.603 0.538 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.943 0.320 -0.047 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.600 -1.064 -0.952 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.839 -0.858 -0.796 1.00 0.00 H new ATOM 255 N LYS A 19 5.663 -3.367 1.632 1.00 0.00 N ATOM 256 CA LYS A 19 4.530 -2.617 1.103 1.00 0.00 C ATOM 257 C LYS A 19 4.913 -1.165 0.839 1.00 0.00 C ATOM 258 O LYS A 19 5.810 -0.621 1.485 1.00 0.00 O ATOM 259 CB LYS A 19 3.353 -2.676 2.080 1.00 0.00 C ATOM 260 CG LYS A 19 2.655 -4.024 2.111 1.00 0.00 C ATOM 261 CD LYS A 19 2.044 -4.367 0.762 1.00 0.00 C ATOM 262 CE LYS A 19 0.814 -5.249 0.916 1.00 0.00 C ATOM 263 NZ LYS A 19 1.164 -6.696 0.896 1.00 0.00 N ATOM 0 H LYS A 19 5.983 -3.055 2.549 1.00 0.00 H new ATOM 0 HA LYS A 19 4.234 -3.073 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.711 -2.439 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.629 -1.907 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.368 -4.798 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.875 -4.014 2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.772 -3.449 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.784 -4.877 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.311 -5.010 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.110 -5.034 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.296 -7.264 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.652 -6.923 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.789 -6.913 1.699 1.00 0.00 H new ATOM 277 N LEU A 20 4.229 -0.541 -0.114 1.00 0.00 N ATOM 278 CA LEU A 20 4.497 0.850 -0.463 1.00 0.00 C ATOM 279 C LEU A 20 3.385 1.415 -1.341 1.00 0.00 C ATOM 280 O LEU A 20 2.868 0.728 -2.222 1.00 0.00 O ATOM 281 CB LEU A 20 5.841 0.965 -1.184 1.00 0.00 C ATOM 282 CG LEU A 20 5.789 0.916 -2.712 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.657 2.318 -3.287 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.027 0.225 -3.265 1.00 0.00 C ATOM 0 H LEU A 20 3.485 -0.976 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 20 4.536 1.430 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.311 1.902 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.487 0.159 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 20 4.912 0.340 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.622 2.263 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.741 2.778 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.514 2.919 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.974 0.199 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.917 0.774 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.078 -0.793 -2.880 1.00 0.00 H new ATOM 296 N GLU A 21 3.024 2.670 -1.095 1.00 0.00 N ATOM 297 CA GLU A 21 1.975 3.327 -1.866 1.00 0.00 C ATOM 298 C GLU A 21 2.518 3.848 -3.193 1.00 0.00 C ATOM 299 O GLU A 21 3.399 4.708 -3.222 1.00 0.00 O ATOM 300 CB GLU A 21 1.368 4.480 -1.063 1.00 0.00 C ATOM 301 CG GLU A 21 0.673 4.035 0.213 1.00 0.00 C ATOM 302 CD GLU A 21 0.012 5.184 0.949 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.237 6.230 0.315 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.256 5.036 2.160 1.00 0.00 O ATOM 0 H GLU A 21 3.442 3.252 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 21 1.199 2.591 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.156 5.189 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.652 5.011 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.079 3.284 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.400 3.558 0.870 1.00 0.00 H new ATOM 311 N VAL A 22 1.988 3.319 -4.291 1.00 0.00 N ATOM 312 CA VAL A 22 2.419 3.730 -5.622 1.00 0.00 C ATOM 313 C VAL A 22 1.303 4.462 -6.359 1.00 0.00 C ATOM 314 O VAL A 22 0.130 4.103 -6.248 1.00 0.00 O ATOM 315 CB VAL A 22 2.868 2.521 -6.464 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.411 2.979 -7.809 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.907 1.705 -5.711 1.00 0.00 C ATOM 0 H VAL A 22 1.260 2.605 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 22 3.265 4.404 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 22 2.002 1.885 -6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.723 2.111 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.634 3.518 -8.351 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.266 3.637 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.213 0.855 -6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.775 2.329 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.479 1.345 -4.775 1.00 0.00 H new ATOM 327 N VAL A 23 1.675 5.490 -7.114 1.00 0.00 N ATOM 328 CA VAL A 23 0.707 6.273 -7.872 1.00 0.00 C ATOM 329 C VAL A 23 0.385 5.608 -9.206 1.00 0.00 C ATOM 330 O VAL A 23 1.263 5.433 -10.051 1.00 0.00 O ATOM 331 CB VAL A 23 1.221 7.701 -8.134 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.248 8.465 -9.019 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.448 8.435 -6.821 1.00 0.00 C ATOM 0 H VAL A 23 2.641 5.800 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.199 6.326 -7.268 1.00 0.00 H new ATOM 0 HB VAL A 23 2.175 7.634 -8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.628 9.472 -9.193 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.140 7.948 -9.972 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.723 8.524 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.811 9.442 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.510 8.492 -6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.186 7.897 -6.226 1.00 0.00 H new ATOM 343 N ASP A 24 -0.878 5.239 -9.387 1.00 0.00 N ATOM 344 CA ASP A 24 -1.317 4.594 -10.619 1.00 0.00 C ATOM 345 C ASP A 24 -0.983 5.456 -11.833 1.00 0.00 C ATOM 346 O ASP A 24 -1.422 6.601 -11.935 1.00 0.00 O ATOM 347 CB ASP A 24 -2.821 4.322 -10.570 1.00 0.00 C ATOM 348 CG ASP A 24 -3.229 3.164 -11.459 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.365 2.314 -11.762 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.413 3.107 -11.852 1.00 0.00 O ATOM 0 H ASP A 24 -1.616 5.375 -8.696 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.787 3.646 -10.712 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.115 4.109 -9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.360 5.219 -10.876 1.00 0.00 H new ATOM 355 N LYS A 25 -0.201 4.898 -12.751 1.00 0.00 N ATOM 356 CA LYS A 25 0.193 5.614 -13.959 1.00 0.00 C ATOM 357 C LYS A 25 -1.030 6.137 -14.705 1.00 0.00 C ATOM 358 O LYS A 25 -1.163 7.339 -14.933 1.00 0.00 O ATOM 359 CB LYS A 25 1.010 4.700 -14.874 1.00 0.00 C ATOM 360 CG LYS A 25 1.982 3.803 -14.128 1.00 0.00 C ATOM 361 CD LYS A 25 2.809 4.590 -13.125 1.00 0.00 C ATOM 362 CE LYS A 25 3.981 5.290 -13.795 1.00 0.00 C ATOM 363 NZ LYS A 25 4.415 6.495 -13.035 1.00 0.00 N ATOM 0 H LYS A 25 0.173 3.951 -12.681 1.00 0.00 H new ATOM 0 HA LYS A 25 0.807 6.465 -13.663 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.328 4.079 -15.455 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.566 5.313 -15.583 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.430 3.018 -13.610 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.644 3.310 -14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.177 5.328 -12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.180 3.918 -12.351 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.817 4.596 -13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.700 5.581 -14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.216 6.944 -13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.625 7.169 -12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.707 6.215 -12.077 1.00 0.00 H new ATOM 377 N ARG A 26 -1.922 5.226 -15.081 1.00 0.00 N ATOM 378 CA ARG A 26 -3.134 5.596 -15.802 1.00 0.00 C ATOM 379 C ARG A 26 -3.898 6.687 -15.057 1.00 0.00 C ATOM 380 O ARG A 26 -4.494 7.571 -15.671 1.00 0.00 O ATOM 381 CB ARG A 26 -4.032 4.372 -15.994 1.00 0.00 C ATOM 382 CG ARG A 26 -4.249 3.570 -14.722 1.00 0.00 C ATOM 383 CD ARG A 26 -4.522 2.105 -15.026 1.00 0.00 C ATOM 384 NE ARG A 26 -5.800 1.916 -15.707 1.00 0.00 N ATOM 385 CZ ARG A 26 -6.081 0.860 -16.463 1.00 0.00 C ATOM 386 NH1 ARG A 26 -5.179 -0.097 -16.633 1.00 0.00 N ATOM 387 NH2 ARG A 26 -7.267 0.760 -17.049 1.00 0.00 N ATOM 0 H ARG A 26 -1.828 4.227 -14.898 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.842 5.982 -16.779 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.999 4.698 -16.377 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.591 3.724 -16.751 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.369 3.652 -14.084 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.087 3.989 -14.165 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.719 1.708 -15.646 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.519 1.535 -14.097 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.516 2.634 -15.596 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.267 -0.024 -16.183 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.398 -0.906 -17.214 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.963 1.494 -16.919 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.482 -0.051 -17.629 1.00 0.00 H new ATOM 401 N ASN A 27 -3.874 6.619 -13.730 1.00 0.00 N ATOM 402 CA ASN A 27 -4.564 7.600 -12.901 1.00 0.00 C ATOM 403 C ASN A 27 -3.659 8.096 -11.777 1.00 0.00 C ATOM 404 O ASN A 27 -3.543 7.474 -10.720 1.00 0.00 O ATOM 405 CB ASN A 27 -5.841 6.995 -12.314 1.00 0.00 C ATOM 406 CG ASN A 27 -7.046 7.208 -13.210 1.00 0.00 C ATOM 407 OD1 ASN A 27 -7.586 8.311 -13.292 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.473 6.148 -13.887 1.00 0.00 N ATOM 0 H ASN A 27 -3.384 5.894 -13.206 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.829 8.449 -13.531 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.694 5.927 -12.155 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.035 7.439 -11.337 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.280 6.229 -14.506 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.994 5.253 -13.788 1.00 0.00 H new ATOM 415 N PRO A 28 -3.003 9.242 -12.007 1.00 0.00 N ATOM 416 CA PRO A 28 -2.098 9.848 -11.026 1.00 0.00 C ATOM 417 C PRO A 28 -2.842 10.403 -9.816 1.00 0.00 C ATOM 418 O PRO A 28 -2.229 10.784 -8.820 1.00 0.00 O ATOM 419 CB PRO A 28 -1.431 10.981 -11.809 1.00 0.00 C ATOM 420 CG PRO A 28 -2.406 11.324 -12.883 1.00 0.00 C ATOM 421 CD PRO A 28 -3.094 10.037 -13.244 1.00 0.00 C ATOM 0 HA PRO A 28 -1.394 9.122 -10.619 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.229 11.840 -11.169 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.476 10.664 -12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.124 12.066 -12.535 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.899 11.752 -13.748 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.130 10.204 -13.539 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.602 9.539 -14.079 1.00 0.00 H new ATOM 429 N MET A 29 -4.167 10.445 -9.911 1.00 0.00 N ATOM 430 CA MET A 29 -4.995 10.953 -8.823 1.00 0.00 C ATOM 431 C MET A 29 -5.483 9.813 -7.934 1.00 0.00 C ATOM 432 O MET A 29 -6.383 9.994 -7.114 1.00 0.00 O ATOM 433 CB MET A 29 -6.190 11.727 -9.381 1.00 0.00 C ATOM 434 CG MET A 29 -5.821 13.088 -9.947 1.00 0.00 C ATOM 435 SD MET A 29 -7.019 13.686 -11.155 1.00 0.00 S ATOM 436 CE MET A 29 -5.937 14.475 -12.344 1.00 0.00 C ATOM 0 H MET A 29 -4.690 10.134 -10.729 1.00 0.00 H new ATOM 0 HA MET A 29 -4.386 11.626 -8.220 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.664 11.134 -10.163 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.928 11.859 -8.590 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.743 13.807 -9.132 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.838 13.028 -10.415 1.00 0.00 H new ATOM 0 HE1 MET A 29 -6.532 14.895 -13.155 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.378 15.272 -11.854 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.242 13.739 -12.748 1.00 0.00 H new ATOM 446 N PHE A 30 -4.883 8.639 -8.102 1.00 0.00 N ATOM 447 CA PHE A 30 -5.258 7.469 -7.316 1.00 0.00 C ATOM 448 C PHE A 30 -4.020 6.723 -6.827 1.00 0.00 C ATOM 449 O PHE A 30 -3.121 6.413 -7.608 1.00 0.00 O ATOM 450 CB PHE A 30 -6.138 6.532 -8.145 1.00 0.00 C ATOM 451 CG PHE A 30 -7.558 7.004 -8.278 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.893 7.979 -9.204 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.557 6.473 -7.478 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.198 8.416 -9.328 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.864 6.906 -7.599 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.185 7.878 -8.526 1.00 0.00 C ATOM 0 H PHE A 30 -4.135 8.473 -8.775 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.821 7.811 -6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.705 6.425 -9.139 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.134 5.543 -7.687 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.126 8.402 -9.836 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.312 5.712 -6.752 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.446 9.178 -10.052 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.634 6.485 -6.969 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.206 8.217 -8.623 1.00 0.00 H new ATOM 466 N ILE A 31 -3.982 6.440 -5.529 1.00 0.00 N ATOM 467 CA ILE A 31 -2.855 5.730 -4.936 1.00 0.00 C ATOM 468 C ILE A 31 -3.322 4.486 -4.187 1.00 0.00 C ATOM 469 O ILE A 31 -4.240 4.550 -3.369 1.00 0.00 O ATOM 470 CB ILE A 31 -2.068 6.633 -3.968 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.540 7.867 -4.703 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.923 5.857 -3.334 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.318 9.059 -3.799 1.00 0.00 C ATOM 0 H ILE A 31 -4.718 6.691 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.201 5.433 -5.756 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.739 6.965 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.600 7.613 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.245 8.142 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.376 6.508 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.322 5.006 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.250 5.500 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.944 9.897 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.260 9.339 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.590 8.802 -3.030 1.00 0.00 H new ATOM 485 N ARG A 32 -2.682 3.357 -4.471 1.00 0.00 N ATOM 486 CA ARG A 32 -3.031 2.097 -3.824 1.00 0.00 C ATOM 487 C ARG A 32 -1.787 1.407 -3.273 1.00 0.00 C ATOM 488 O ARG A 32 -0.660 1.803 -3.570 1.00 0.00 O ATOM 489 CB ARG A 32 -3.745 1.173 -4.812 1.00 0.00 C ATOM 490 CG ARG A 32 -5.148 1.635 -5.172 1.00 0.00 C ATOM 491 CD ARG A 32 -5.578 1.100 -6.529 1.00 0.00 C ATOM 492 NE ARG A 32 -6.930 1.525 -6.881 1.00 0.00 N ATOM 493 CZ ARG A 32 -7.670 0.928 -7.809 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.192 -0.114 -8.475 1.00 0.00 N ATOM 495 NH2 ARG A 32 -8.892 1.374 -8.073 1.00 0.00 N ATOM 0 H ARG A 32 -1.919 3.288 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.702 2.317 -2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.151 1.100 -5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.799 0.171 -4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.850 1.300 -4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.183 2.724 -5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.880 1.444 -7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.531 0.011 -6.521 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.328 2.324 -6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.253 -0.460 -8.276 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.763 -0.570 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.264 2.176 -7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.459 0.915 -8.786 1.00 0.00 H new ATOM 509 N VAL A 33 -2.000 0.371 -2.467 1.00 0.00 N ATOM 510 CA VAL A 33 -0.897 -0.376 -1.874 1.00 0.00 C ATOM 511 C VAL A 33 -0.152 -1.187 -2.929 1.00 0.00 C ATOM 512 O VAL A 33 -0.736 -1.614 -3.925 1.00 0.00 O ATOM 513 CB VAL A 33 -1.393 -1.326 -0.768 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.290 -2.290 -0.358 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.892 -0.533 0.430 1.00 0.00 C ATOM 0 H VAL A 33 -2.926 0.030 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.218 0.356 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.225 -1.910 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.659 -2.953 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.016 -2.881 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.565 -1.727 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.239 -1.220 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.081 0.078 0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.715 0.112 0.122 1.00 0.00 H new ATOM 525 N ALA A 34 1.141 -1.395 -2.704 1.00 0.00 N ATOM 526 CA ALA A 34 1.965 -2.157 -3.633 1.00 0.00 C ATOM 527 C ALA A 34 2.885 -3.119 -2.890 1.00 0.00 C ATOM 528 O ALA A 34 3.044 -3.028 -1.672 1.00 0.00 O ATOM 529 CB ALA A 34 2.779 -1.217 -4.510 1.00 0.00 C ATOM 0 H ALA A 34 1.640 -1.046 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 34 1.303 -2.746 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.390 -1.800 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.106 -0.574 -5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.425 -0.603 -3.883 1.00 0.00 H new ATOM 535 N THR A 35 3.490 -4.043 -3.630 1.00 0.00 N ATOM 536 CA THR A 35 4.393 -5.024 -3.040 1.00 0.00 C ATOM 537 C THR A 35 5.660 -5.175 -3.873 1.00 0.00 C ATOM 538 O THR A 35 5.619 -5.669 -5.000 1.00 0.00 O ATOM 539 CB THR A 35 3.715 -6.400 -2.903 1.00 0.00 C ATOM 540 OG1 THR A 35 2.532 -6.286 -2.104 1.00 0.00 O ATOM 541 CG2 THR A 35 4.663 -7.410 -2.273 1.00 0.00 C ATOM 0 H THR A 35 3.371 -4.133 -4.639 1.00 0.00 H new ATOM 0 HA THR A 35 4.655 -4.656 -2.048 1.00 0.00 H new ATOM 0 HB THR A 35 3.447 -6.749 -3.900 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.106 -7.165 -2.023 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.162 -8.374 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.549 -7.516 -2.898 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.957 -7.064 -1.282 1.00 0.00 H new ATOM 549 N VAL A 36 6.787 -4.748 -3.312 1.00 0.00 N ATOM 550 CA VAL A 36 8.068 -4.838 -4.003 1.00 0.00 C ATOM 551 C VAL A 36 8.418 -6.287 -4.324 1.00 0.00 C ATOM 552 O VAL A 36 8.838 -7.043 -3.450 1.00 0.00 O ATOM 553 CB VAL A 36 9.202 -4.221 -3.164 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.500 -4.197 -3.956 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.824 -2.822 -2.703 1.00 0.00 C ATOM 0 H VAL A 36 6.839 -4.336 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 36 7.967 -4.277 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 36 9.354 -4.841 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.290 -3.758 -3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.777 -5.215 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.364 -3.602 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.637 -2.402 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.643 -2.189 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.921 -2.871 -2.095 1.00 0.00 H new ATOM 565 N ALA A 37 8.243 -6.666 -5.586 1.00 0.00 N ATOM 566 CA ALA A 37 8.543 -8.023 -6.024 1.00 0.00 C ATOM 567 C ALA A 37 10.045 -8.226 -6.192 1.00 0.00 C ATOM 568 O ALA A 37 10.628 -9.135 -5.600 1.00 0.00 O ATOM 569 CB ALA A 37 7.818 -8.329 -7.327 1.00 0.00 C ATOM 0 H ALA A 37 7.895 -6.052 -6.323 1.00 0.00 H new ATOM 0 HA ALA A 37 8.193 -8.712 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.051 -9.346 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.743 -8.233 -7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.140 -7.627 -8.096 1.00 0.00 H new ATOM 575 N ASP A 38 10.665 -7.376 -7.002 1.00 0.00 N ATOM 576 CA ASP A 38 12.100 -7.462 -7.248 1.00 0.00 C ATOM 577 C ASP A 38 12.730 -6.073 -7.283 1.00 0.00 C ATOM 578 O ASP A 38 12.193 -5.151 -7.897 1.00 0.00 O ATOM 579 CB ASP A 38 12.371 -8.192 -8.564 1.00 0.00 C ATOM 580 CG ASP A 38 13.688 -8.943 -8.549 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.739 -8.302 -8.761 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.668 -10.171 -8.325 1.00 0.00 O ATOM 0 H ASP A 38 10.197 -6.619 -7.500 1.00 0.00 H new ATOM 0 HA ASP A 38 12.550 -8.025 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.559 -8.892 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.376 -7.471 -9.382 1.00 0.00 H new ATOM 587 N THR A 39 13.872 -5.930 -6.618 1.00 0.00 N ATOM 588 CA THR A 39 14.574 -4.654 -6.571 1.00 0.00 C ATOM 589 C THR A 39 15.800 -4.667 -7.477 1.00 0.00 C ATOM 590 O THR A 39 16.785 -5.351 -7.195 1.00 0.00 O ATOM 591 CB THR A 39 15.014 -4.307 -5.136 1.00 0.00 C ATOM 592 OG1 THR A 39 15.928 -5.296 -4.651 1.00 0.00 O ATOM 593 CG2 THR A 39 13.812 -4.221 -4.208 1.00 0.00 C ATOM 0 H THR A 39 14.330 -6.683 -6.104 1.00 0.00 H new ATOM 0 HA THR A 39 13.874 -3.896 -6.922 1.00 0.00 H new ATOM 0 HB THR A 39 15.508 -3.336 -5.156 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.393 -5.711 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.147 -3.975 -3.200 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.132 -3.447 -4.564 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.294 -5.180 -4.194 1.00 0.00 H new ATOM 601 N ASP A 40 15.735 -3.907 -8.565 1.00 0.00 N ATOM 602 CA ASP A 40 16.841 -3.830 -9.511 1.00 0.00 C ATOM 603 C ASP A 40 17.883 -2.816 -9.049 1.00 0.00 C ATOM 604 O ASP A 40 17.747 -2.214 -7.983 1.00 0.00 O ATOM 605 CB ASP A 40 16.326 -3.452 -10.901 1.00 0.00 C ATOM 606 CG ASP A 40 17.244 -3.930 -12.009 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.755 -5.065 -11.909 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.453 -3.168 -12.976 1.00 0.00 O ATOM 0 H ASP A 40 14.927 -3.336 -8.813 1.00 0.00 H new ATOM 0 HA ASP A 40 17.312 -4.812 -9.560 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.334 -3.879 -11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.219 -2.369 -10.964 1.00 0.00 H new ATOM 613 N ASP A 41 18.923 -2.634 -9.855 1.00 0.00 N ATOM 614 CA ASP A 41 19.988 -1.693 -9.528 1.00 0.00 C ATOM 615 C ASP A 41 19.415 -0.403 -8.949 1.00 0.00 C ATOM 616 O ASP A 41 19.601 -0.105 -7.769 1.00 0.00 O ATOM 617 CB ASP A 41 20.822 -1.382 -10.772 1.00 0.00 C ATOM 618 CG ASP A 41 21.629 -2.576 -11.242 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.628 -2.915 -10.576 1.00 0.00 O ATOM 620 OD2 ASP A 41 21.261 -3.171 -12.277 1.00 0.00 O ATOM 0 H ASP A 41 19.051 -3.126 -10.739 1.00 0.00 H new ATOM 0 HA ASP A 41 20.629 -2.154 -8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.162 -1.054 -11.575 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.497 -0.554 -10.556 1.00 0.00 H new ATOM 625 N HIS A 42 18.719 0.358 -9.786 1.00 0.00 N ATOM 626 CA HIS A 42 18.119 1.616 -9.357 1.00 0.00 C ATOM 627 C HIS A 42 16.618 1.623 -9.629 1.00 0.00 C ATOM 628 O HIS A 42 16.037 2.665 -9.931 1.00 0.00 O ATOM 629 CB HIS A 42 18.784 2.793 -10.073 1.00 0.00 C ATOM 630 CG HIS A 42 20.248 2.594 -10.319 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.227 3.275 -9.627 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.897 1.783 -11.187 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.415 2.893 -10.059 1.00 0.00 C ATOM 634 NE2 HIS A 42 22.243 1.988 -11.006 1.00 0.00 N ATOM 0 H HIS A 42 18.556 0.126 -10.766 1.00 0.00 H new ATOM 0 HA HIS A 42 18.276 1.717 -8.283 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.283 2.958 -11.027 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.643 3.696 -9.479 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.441 1.102 -11.891 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.366 3.258 -9.699 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.989 1.518 -11.519 1.00 0.00 H new ATOM 643 N ARG A 43 15.996 0.454 -9.519 1.00 0.00 N ATOM 644 CA ARG A 43 14.563 0.325 -9.755 1.00 0.00 C ATOM 645 C ARG A 43 13.964 -0.769 -8.877 1.00 0.00 C ATOM 646 O ARG A 43 14.684 -1.489 -8.186 1.00 0.00 O ATOM 647 CB ARG A 43 14.293 0.016 -11.229 1.00 0.00 C ATOM 648 CG ARG A 43 15.030 0.935 -12.189 1.00 0.00 C ATOM 649 CD ARG A 43 14.333 1.005 -13.539 1.00 0.00 C ATOM 650 NE ARG A 43 15.238 1.441 -14.600 1.00 0.00 N ATOM 651 CZ ARG A 43 16.055 0.621 -15.252 1.00 0.00 C ATOM 652 NH1 ARG A 43 16.080 -0.670 -14.953 1.00 0.00 N ATOM 653 NH2 ARG A 43 16.848 1.093 -16.205 1.00 0.00 N ATOM 0 H ARG A 43 16.462 -0.418 -9.268 1.00 0.00 H new ATOM 0 HA ARG A 43 14.091 1.273 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.581 -1.015 -11.434 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.222 0.092 -11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.095 1.935 -11.760 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.051 0.579 -12.324 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.927 0.025 -13.789 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.490 1.693 -13.476 1.00 0.00 H new ATOM 0 HE ARG A 43 15.243 2.429 -14.854 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.471 -1.036 -14.221 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.708 -1.298 -15.455 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.831 2.086 -16.438 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.475 0.463 -16.705 1.00 0.00 H new ATOM 667 N VAL A 44 12.640 -0.888 -8.909 1.00 0.00 N ATOM 668 CA VAL A 44 11.943 -1.894 -8.116 1.00 0.00 C ATOM 669 C VAL A 44 10.581 -2.221 -8.718 1.00 0.00 C ATOM 670 O VAL A 44 9.731 -1.344 -8.871 1.00 0.00 O ATOM 671 CB VAL A 44 11.751 -1.428 -6.661 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.097 -1.195 -5.993 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.897 -0.170 -6.613 1.00 0.00 C ATOM 0 H VAL A 44 12.029 -0.300 -9.476 1.00 0.00 H new ATOM 0 HA VAL A 44 12.565 -2.789 -8.123 1.00 0.00 H new ATOM 0 HB VAL A 44 11.231 -2.213 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.941 -0.866 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.669 -2.123 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.647 -0.429 -6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.772 0.145 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.387 0.624 -7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.920 -0.376 -7.050 1.00 0.00 H new ATOM 683 N LYS A 45 10.380 -3.490 -9.057 1.00 0.00 N ATOM 684 CA LYS A 45 9.120 -3.935 -9.641 1.00 0.00 C ATOM 685 C LYS A 45 8.011 -3.954 -8.593 1.00 0.00 C ATOM 686 O LYS A 45 7.952 -4.852 -7.754 1.00 0.00 O ATOM 687 CB LYS A 45 9.282 -5.329 -10.252 1.00 0.00 C ATOM 688 CG LYS A 45 8.208 -5.676 -11.269 1.00 0.00 C ATOM 689 CD LYS A 45 8.373 -7.092 -11.793 1.00 0.00 C ATOM 690 CE LYS A 45 7.666 -7.279 -13.126 1.00 0.00 C ATOM 691 NZ LYS A 45 8.529 -6.879 -14.272 1.00 0.00 N ATOM 0 H LYS A 45 11.073 -4.228 -8.937 1.00 0.00 H new ATOM 0 HA LYS A 45 8.843 -3.231 -10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.259 -5.395 -10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.267 -6.071 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.224 -5.569 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.252 -4.972 -12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.433 -7.317 -11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.974 -7.799 -11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.373 -8.323 -13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.750 -6.688 -13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.967 -6.334 -14.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.316 -6.293 -13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.908 -7.730 -14.735 1.00 0.00 H new ATOM 705 N VAL A 46 7.134 -2.957 -8.649 1.00 0.00 N ATOM 706 CA VAL A 46 6.025 -2.861 -7.707 1.00 0.00 C ATOM 707 C VAL A 46 4.855 -3.735 -8.144 1.00 0.00 C ATOM 708 O VAL A 46 4.307 -3.559 -9.232 1.00 0.00 O ATOM 709 CB VAL A 46 5.539 -1.407 -7.559 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.524 -0.595 -6.733 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.329 -0.774 -8.927 1.00 0.00 C ATOM 0 H VAL A 46 7.170 -2.204 -9.337 1.00 0.00 H new ATOM 0 HA VAL A 46 6.396 -3.212 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 46 4.583 -1.414 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.163 0.429 -6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.619 -1.038 -5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.497 -0.594 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.986 0.253 -8.804 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.269 -0.779 -9.478 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.581 -1.343 -9.480 1.00 0.00 H new ATOM 721 N HIS A 47 4.476 -4.679 -7.287 1.00 0.00 N ATOM 722 CA HIS A 47 3.369 -5.581 -7.584 1.00 0.00 C ATOM 723 C HIS A 47 2.120 -5.182 -6.804 1.00 0.00 C ATOM 724 O HIS A 47 2.120 -5.175 -5.573 1.00 0.00 O ATOM 725 CB HIS A 47 3.755 -7.022 -7.250 1.00 0.00 C ATOM 726 CG HIS A 47 2.623 -7.993 -7.393 1.00 0.00 C ATOM 727 ND1 HIS A 47 2.552 -8.921 -8.410 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.515 -8.178 -6.638 1.00 0.00 C ATOM 729 CE1 HIS A 47 1.448 -9.634 -8.276 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.801 -9.203 -7.208 1.00 0.00 N ATOM 0 H HIS A 47 4.919 -4.839 -6.382 1.00 0.00 H new ATOM 0 HA HIS A 47 3.149 -5.510 -8.649 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.573 -7.331 -7.901 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.130 -7.061 -6.227 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.243 -7.623 -5.752 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.129 -10.433 -8.929 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.085 -9.572 -6.863 1.00 0.00 H new ATOM 739 N PHE A 48 1.056 -4.851 -7.529 1.00 0.00 N ATOM 740 CA PHE A 48 -0.199 -4.450 -6.905 1.00 0.00 C ATOM 741 C PHE A 48 -1.052 -5.669 -6.567 1.00 0.00 C ATOM 742 O PHE A 48 -1.672 -6.270 -7.445 1.00 0.00 O ATOM 743 CB PHE A 48 -0.976 -3.511 -7.831 1.00 0.00 C ATOM 744 CG PHE A 48 -0.332 -2.165 -7.996 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.681 -1.976 -8.923 1.00 0.00 C ATOM 746 CD2 PHE A 48 -0.738 -1.088 -7.225 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.276 -0.738 -9.078 1.00 0.00 C ATOM 748 CE2 PHE A 48 -0.148 0.152 -7.376 1.00 0.00 C ATOM 749 CZ PHE A 48 0.862 0.327 -8.303 1.00 0.00 C ATOM 0 H PHE A 48 1.038 -4.853 -8.549 1.00 0.00 H new ATOM 0 HA PHE A 48 0.036 -3.925 -5.979 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.076 -3.980 -8.810 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.984 -3.377 -7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.009 -2.806 -9.531 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.525 -1.219 -6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.064 -0.604 -9.804 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.476 0.984 -6.770 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.326 1.295 -8.421 1.00 0.00 H new ATOM 759 N ASP A 49 -1.079 -6.029 -5.288 1.00 0.00 N ATOM 760 CA ASP A 49 -1.855 -7.175 -4.832 1.00 0.00 C ATOM 761 C ASP A 49 -3.328 -7.015 -5.198 1.00 0.00 C ATOM 762 O ASP A 49 -3.949 -6.000 -4.884 1.00 0.00 O ATOM 763 CB ASP A 49 -1.709 -7.348 -3.319 1.00 0.00 C ATOM 764 CG ASP A 49 -1.822 -8.798 -2.889 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.955 -9.249 -2.620 1.00 0.00 O ATOM 766 OD2 ASP A 49 -0.778 -9.480 -2.820 1.00 0.00 O ATOM 0 H ASP A 49 -0.572 -5.543 -4.549 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.470 -8.064 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.744 -6.952 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.476 -6.761 -2.813 1.00 0.00 H new ATOM 771 N GLY A 50 -3.880 -8.024 -5.865 1.00 0.00 N ATOM 772 CA GLY A 50 -5.274 -7.974 -6.264 1.00 0.00 C ATOM 773 C GLY A 50 -5.446 -7.624 -7.729 1.00 0.00 C ATOM 774 O GLY A 50 -6.274 -8.215 -8.422 1.00 0.00 O ATOM 0 H GLY A 50 -3.387 -8.875 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.740 -8.940 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.797 -7.238 -5.654 1.00 0.00 H new ATOM 778 N TRP A 51 -4.664 -6.661 -8.201 1.00 0.00 N ATOM 779 CA TRP A 51 -4.734 -6.232 -9.593 1.00 0.00 C ATOM 780 C TRP A 51 -4.704 -7.431 -10.535 1.00 0.00 C ATOM 781 O TRP A 51 -4.473 -8.561 -10.107 1.00 0.00 O ATOM 782 CB TRP A 51 -3.577 -5.285 -9.916 1.00 0.00 C ATOM 783 CG TRP A 51 -3.644 -3.988 -9.168 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.273 -3.761 -7.977 1.00 0.00 C ATOM 785 CD2 TRP A 51 -3.062 -2.741 -9.560 1.00 0.00 C ATOM 786 NE1 TRP A 51 -4.117 -2.447 -7.606 1.00 0.00 N ATOM 787 CE2 TRP A 51 -3.377 -1.801 -8.560 1.00 0.00 C ATOM 788 CE3 TRP A 51 -2.303 -2.327 -10.659 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -2.960 -0.474 -8.628 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -1.891 -1.010 -10.725 1.00 0.00 C ATOM 791 CH2 TRP A 51 -2.219 -0.096 -9.715 1.00 0.00 C ATOM 0 H TRP A 51 -3.973 -6.162 -7.640 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.677 -5.704 -9.737 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.635 -5.782 -9.684 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.574 -5.079 -10.986 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.813 -4.505 -7.410 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -4.492 -2.022 -6.758 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -2.044 -3.024 -11.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.212 0.232 -7.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -1.306 -0.679 -11.570 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.881 0.926 -9.796 1.00 0.00 H new ATOM 841 N TYR A 55 -0.567 -6.105 -14.110 1.00 0.00 N ATOM 842 CA TYR A 55 -0.391 -4.672 -14.313 1.00 0.00 C ATOM 843 C TYR A 55 0.968 -4.212 -13.794 1.00 0.00 C ATOM 844 O TYR A 55 1.586 -3.307 -14.355 1.00 0.00 O ATOM 845 CB TYR A 55 -1.507 -3.895 -13.614 1.00 0.00 C ATOM 846 CG TYR A 55 -2.698 -3.614 -14.502 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.615 -2.690 -15.536 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.906 -4.272 -14.307 1.00 0.00 C ATOM 849 CE1 TYR A 55 -3.701 -2.429 -16.350 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.996 -4.019 -15.116 1.00 0.00 C ATOM 851 CZ TYR A 55 -4.889 -3.097 -16.136 1.00 0.00 C ATOM 852 OH TYR A 55 -5.973 -2.841 -16.944 1.00 0.00 O ATOM 0 HA TYR A 55 -0.437 -4.474 -15.384 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.839 -4.459 -12.742 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.106 -2.950 -13.248 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.686 -2.167 -15.707 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.994 -4.994 -13.509 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.620 -1.707 -17.149 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.927 -4.540 -14.951 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.730 -3.395 -16.661 1.00 0.00 H new ATOM 862 N ASP A 56 1.427 -4.841 -12.718 1.00 0.00 N ATOM 863 CA ASP A 56 2.713 -4.499 -12.122 1.00 0.00 C ATOM 864 C ASP A 56 3.718 -4.093 -13.195 1.00 0.00 C ATOM 865 O ASP A 56 3.646 -4.554 -14.334 1.00 0.00 O ATOM 866 CB ASP A 56 3.257 -5.680 -11.317 1.00 0.00 C ATOM 867 CG ASP A 56 2.153 -6.533 -10.723 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.317 -5.986 -9.974 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.125 -7.749 -11.008 1.00 0.00 O ATOM 0 H ASP A 56 0.927 -5.591 -12.240 1.00 0.00 H new ATOM 0 HA ASP A 56 2.561 -3.652 -11.452 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.883 -6.298 -11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.895 -5.307 -10.516 1.00 0.00 H new ATOM 874 N TYR A 57 4.654 -3.227 -12.824 1.00 0.00 N ATOM 875 CA TYR A 57 5.672 -2.756 -13.755 1.00 0.00 C ATOM 876 C TYR A 57 6.944 -2.353 -13.015 1.00 0.00 C ATOM 877 O TYR A 57 6.948 -2.225 -11.790 1.00 0.00 O ATOM 878 CB TYR A 57 5.143 -1.571 -14.565 1.00 0.00 C ATOM 879 CG TYR A 57 4.342 -0.586 -13.744 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.950 0.193 -12.769 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.975 -0.435 -13.946 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.221 1.093 -12.016 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.238 0.464 -13.199 1.00 0.00 C ATOM 884 CZ TYR A 57 2.866 1.225 -12.235 1.00 0.00 C ATOM 885 OH TYR A 57 2.136 2.122 -11.488 1.00 0.00 O ATOM 0 H TYR A 57 4.729 -2.837 -11.885 1.00 0.00 H new ATOM 0 HA TYR A 57 5.913 -3.574 -14.434 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.984 -1.050 -15.023 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.520 -1.946 -15.377 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.011 0.094 -12.596 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.481 -1.030 -14.699 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.710 1.690 -11.260 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.177 0.570 -13.369 1.00 0.00 H new ATOM 0 HH TYR A 57 2.659 2.399 -10.707 1.00 0.00 H new ATOM 895 N TRP A 58 8.020 -2.154 -13.766 1.00 0.00 N ATOM 896 CA TRP A 58 9.299 -1.765 -13.183 1.00 0.00 C ATOM 897 C TRP A 58 9.365 -0.256 -12.974 1.00 0.00 C ATOM 898 O TRP A 58 9.517 0.505 -13.931 1.00 0.00 O ATOM 899 CB TRP A 58 10.452 -2.220 -14.079 1.00 0.00 C ATOM 900 CG TRP A 58 10.895 -3.626 -13.809 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.634 -4.728 -14.571 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.676 -4.080 -12.697 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.205 -5.840 -14.001 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.850 -5.469 -12.851 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.245 -3.448 -11.589 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.570 -6.234 -11.937 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.959 -4.208 -10.682 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.117 -5.589 -10.861 1.00 0.00 C ATOM 0 H TRP A 58 8.033 -2.256 -14.781 1.00 0.00 H new ATOM 0 HA TRP A 58 9.390 -2.252 -12.212 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.147 -2.137 -15.122 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.298 -1.547 -13.940 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.063 -4.726 -15.487 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.156 -6.788 -14.374 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.129 -2.384 -11.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.692 -7.298 -12.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.402 -3.730 -9.821 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.682 -6.156 -10.135 1.00 0.00 H new ATOM 919 N ILE A 59 9.251 0.170 -11.721 1.00 0.00 N ATOM 920 CA ILE A 59 9.300 1.588 -11.389 1.00 0.00 C ATOM 921 C ILE A 59 10.570 1.929 -10.616 1.00 0.00 C ATOM 922 O ILE A 59 11.035 1.144 -9.789 1.00 0.00 O ATOM 923 CB ILE A 59 8.076 2.014 -10.557 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.952 3.539 -10.536 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.182 1.466 -9.141 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.599 4.029 -10.069 1.00 0.00 C ATOM 0 H ILE A 59 9.124 -0.447 -10.919 1.00 0.00 H new ATOM 0 HA ILE A 59 9.295 2.133 -12.333 1.00 0.00 H new ATOM 0 HB ILE A 59 7.179 1.602 -11.019 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.723 3.949 -9.884 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.143 3.925 -11.537 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.310 1.775 -8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.227 0.377 -9.175 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.085 1.852 -8.668 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.583 5.119 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.824 3.648 -10.735 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.413 3.673 -9.056 1.00 0.00 H new ATOM 938 N ASP A 60 11.125 3.104 -10.890 1.00 0.00 N ATOM 939 CA ASP A 60 12.340 3.551 -10.219 1.00 0.00 C ATOM 940 C ASP A 60 12.086 3.782 -8.732 1.00 0.00 C ATOM 941 O ASP A 60 11.157 4.496 -8.355 1.00 0.00 O ATOM 942 CB ASP A 60 12.863 4.835 -10.865 1.00 0.00 C ATOM 943 CG ASP A 60 13.409 4.600 -12.260 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.602 4.332 -13.175 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.642 4.683 -12.436 1.00 0.00 O ATOM 0 H ASP A 60 10.753 3.765 -11.572 1.00 0.00 H new ATOM 0 HA ASP A 60 13.092 2.769 -10.324 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.058 5.569 -10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.647 5.261 -10.238 1.00 0.00 H new ATOM 950 N ALA A 61 12.917 3.173 -7.893 1.00 0.00 N ATOM 951 CA ALA A 61 12.782 3.313 -6.449 1.00 0.00 C ATOM 952 C ALA A 61 12.955 4.766 -6.020 1.00 0.00 C ATOM 953 O ALA A 61 12.443 5.181 -4.980 1.00 0.00 O ATOM 954 CB ALA A 61 13.793 2.427 -5.736 1.00 0.00 C ATOM 0 H ALA A 61 13.691 2.578 -8.189 1.00 0.00 H new ATOM 0 HA ALA A 61 11.777 2.996 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.681 2.542 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.622 1.386 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.802 2.718 -6.029 1.00 0.00 H new ATOM 960 N ASP A 62 13.679 5.534 -6.826 1.00 0.00 N ATOM 961 CA ASP A 62 13.918 6.942 -6.530 1.00 0.00 C ATOM 962 C ASP A 62 12.900 7.827 -7.241 1.00 0.00 C ATOM 963 O ASP A 62 13.081 9.041 -7.341 1.00 0.00 O ATOM 964 CB ASP A 62 15.336 7.338 -6.946 1.00 0.00 C ATOM 965 CG ASP A 62 16.362 7.024 -5.875 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.497 5.837 -5.511 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.032 7.966 -5.401 1.00 0.00 O ATOM 0 H ASP A 62 14.111 5.206 -7.690 1.00 0.00 H new ATOM 0 HA ASP A 62 13.809 7.086 -5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.602 6.814 -7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.362 8.405 -7.168 1.00 0.00 H new ATOM 972 N SER A 63 11.830 7.212 -7.733 1.00 0.00 N ATOM 973 CA SER A 63 10.784 7.944 -8.439 1.00 0.00 C ATOM 974 C SER A 63 9.949 8.772 -7.467 1.00 0.00 C ATOM 975 O SER A 63 9.640 8.344 -6.355 1.00 0.00 O ATOM 976 CB SER A 63 9.883 6.975 -9.206 1.00 0.00 C ATOM 977 OG SER A 63 9.179 7.642 -10.239 1.00 0.00 O ATOM 0 H SER A 63 11.664 6.209 -7.656 1.00 0.00 H new ATOM 0 HA SER A 63 11.263 8.621 -9.147 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.486 6.173 -9.632 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.175 6.511 -8.519 1.00 0.00 H new ATOM 0 HG SER A 63 8.381 8.072 -9.866 1.00 0.00 H new ATOM 983 N PRO A 64 9.576 9.987 -7.895 1.00 0.00 N ATOM 984 CA PRO A 64 8.771 10.901 -7.079 1.00 0.00 C ATOM 985 C PRO A 64 7.337 10.413 -6.905 1.00 0.00 C ATOM 986 O PRO A 64 6.637 10.831 -5.982 1.00 0.00 O ATOM 987 CB PRO A 64 8.799 12.207 -7.877 1.00 0.00 C ATOM 988 CG PRO A 64 9.038 11.785 -9.286 1.00 0.00 C ATOM 989 CD PRO A 64 9.909 10.561 -9.209 1.00 0.00 C ATOM 0 HA PRO A 64 9.163 10.996 -6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.859 12.750 -7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.588 12.870 -7.523 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.098 11.564 -9.792 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.527 12.577 -9.853 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.694 9.863 -10.018 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.967 10.815 -9.280 1.00 0.00 H new ATOM 997 N ASP A 65 6.906 9.528 -7.797 1.00 0.00 N ATOM 998 CA ASP A 65 5.555 8.982 -7.741 1.00 0.00 C ATOM 999 C ASP A 65 5.445 7.912 -6.658 1.00 0.00 C ATOM 1000 O ASP A 65 4.376 7.703 -6.085 1.00 0.00 O ATOM 1001 CB ASP A 65 5.163 8.394 -9.097 1.00 0.00 C ATOM 1002 CG ASP A 65 5.823 9.118 -10.254 1.00 0.00 C ATOM 1003 OD1 ASP A 65 7.070 9.121 -10.317 1.00 0.00 O ATOM 1004 OD2 ASP A 65 5.093 9.681 -11.097 1.00 0.00 O ATOM 0 H ASP A 65 7.473 9.173 -8.567 1.00 0.00 H new ATOM 0 HA ASP A 65 4.872 9.795 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.439 7.340 -9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.080 8.443 -9.212 1.00 0.00 H new ATOM 1009 N ILE A 66 6.557 7.238 -6.385 1.00 0.00 N ATOM 1010 CA ILE A 66 6.586 6.191 -5.372 1.00 0.00 C ATOM 1011 C ILE A 66 6.488 6.780 -3.969 1.00 0.00 C ATOM 1012 O ILE A 66 7.293 7.628 -3.583 1.00 0.00 O ATOM 1013 CB ILE A 66 7.869 5.345 -5.473 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.803 4.421 -6.691 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.073 4.538 -4.200 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.080 3.647 -6.933 1.00 0.00 C ATOM 0 H ILE A 66 7.450 7.399 -6.851 1.00 0.00 H new ATOM 0 HA ILE A 66 5.723 5.551 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 66 8.720 6.016 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.981 3.718 -6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.575 5.015 -7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.984 3.945 -4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.160 5.215 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.221 3.875 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.960 3.013 -7.812 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.902 4.344 -7.097 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.299 3.026 -6.065 1.00 0.00 H new ATOM 1028 N HIS A 67 5.497 6.324 -3.210 1.00 0.00 N ATOM 1029 CA HIS A 67 5.294 6.804 -1.848 1.00 0.00 C ATOM 1030 C HIS A 67 5.252 5.640 -0.862 1.00 0.00 C ATOM 1031 O HIS A 67 4.719 4.569 -1.151 1.00 0.00 O ATOM 1032 CB HIS A 67 3.999 7.612 -1.756 1.00 0.00 C ATOM 1033 CG HIS A 67 3.981 8.816 -2.646 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.746 9.938 -2.409 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.284 9.070 -3.779 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.520 10.831 -3.357 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.637 10.328 -4.201 1.00 0.00 N ATOM 0 H HIS A 67 4.822 5.623 -3.515 1.00 0.00 H new ATOM 0 HA HIS A 67 6.134 7.448 -1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.159 6.967 -2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.852 7.931 -0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.581 8.406 -4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.979 11.806 -3.429 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.276 10.798 -5.031 1.00 0.00 H new ATOM 1046 N PRO A 68 5.828 5.853 0.331 1.00 0.00 N ATOM 1047 CA PRO A 68 5.870 4.833 1.383 1.00 0.00 C ATOM 1048 C PRO A 68 4.495 4.565 1.985 1.00 0.00 C ATOM 1049 O PRO A 68 3.561 5.343 1.796 1.00 0.00 O ATOM 1050 CB PRO A 68 6.803 5.443 2.431 1.00 0.00 C ATOM 1051 CG PRO A 68 6.701 6.914 2.219 1.00 0.00 C ATOM 1052 CD PRO A 68 6.483 7.105 0.744 1.00 0.00 C ATOM 0 HA PRO A 68 6.207 3.868 1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.499 5.167 3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.827 5.094 2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.876 7.335 2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.609 7.420 2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.856 7.973 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.424 7.260 0.215 1.00 0.00 H new ATOM 1060 N VAL A 69 4.378 3.458 2.712 1.00 0.00 N ATOM 1061 CA VAL A 69 3.117 3.088 3.344 1.00 0.00 C ATOM 1062 C VAL A 69 2.719 4.100 4.412 1.00 0.00 C ATOM 1063 O VAL A 69 3.188 4.037 5.547 1.00 0.00 O ATOM 1064 CB VAL A 69 3.199 1.689 3.983 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.040 1.473 4.945 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.218 0.613 2.908 1.00 0.00 C ATOM 0 H VAL A 69 5.141 2.802 2.878 1.00 0.00 H new ATOM 0 HA VAL A 69 2.361 3.077 2.559 1.00 0.00 H new ATOM 0 HB VAL A 69 4.128 1.621 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.114 0.479 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.077 2.225 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.097 1.560 4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.276 -0.369 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.307 0.677 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.084 0.759 2.263 1.00 0.00 H new ATOM 1076 N GLY A 70 1.850 5.035 4.039 1.00 0.00 N ATOM 1077 CA GLY A 70 1.404 6.048 4.977 1.00 0.00 C ATOM 1078 C GLY A 70 1.567 7.454 4.434 1.00 0.00 C ATOM 1079 O GLY A 70 1.558 8.424 5.192 1.00 0.00 O ATOM 0 H GLY A 70 1.447 5.109 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.356 5.876 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.968 5.953 5.905 1.00 0.00 H new ATOM 1083 N TRP A 71 1.719 7.564 3.119 1.00 0.00 N ATOM 1084 CA TRP A 71 1.888 8.862 2.476 1.00 0.00 C ATOM 1085 C TRP A 71 0.559 9.605 2.391 1.00 0.00 C ATOM 1086 O TRP A 71 0.528 10.832 2.301 1.00 0.00 O ATOM 1087 CB TRP A 71 2.478 8.687 1.075 1.00 0.00 C ATOM 1088 CG TRP A 71 2.247 9.867 0.181 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.169 10.799 -0.202 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.012 10.243 -0.439 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.583 11.731 -1.023 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.260 11.412 -1.185 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.277 9.705 -0.439 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.265 12.050 -1.921 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.264 10.340 -1.169 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.989 11.502 -1.902 1.00 0.00 C ATOM 0 H TRP A 71 1.729 6.771 2.478 1.00 0.00 H new ATOM 0 HA TRP A 71 2.575 9.453 3.082 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.550 8.509 1.160 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.043 7.800 0.614 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.207 10.803 0.097 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.056 12.531 -1.444 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.498 8.809 0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.475 12.946 -2.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.265 9.933 -1.175 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.782 11.974 -2.463 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.536 8.853 2.422 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.869 9.442 2.348 1.00 0.00 C ATOM 1109 C CYS A 72 -2.026 10.563 3.370 1.00 0.00 C ATOM 1110 O CYS A 72 -2.580 11.619 3.068 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.935 8.370 2.580 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.812 7.541 4.182 1.00 0.00 S ATOM 0 H CYS A 72 -0.527 7.836 2.498 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.999 9.864 1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.920 8.828 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.862 7.623 1.790 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.757 6.654 4.285 1.00 0.00 H new ATOM 1118 N SER A 73 -1.536 10.323 4.583 1.00 0.00 N ATOM 1119 CA SER A 73 -1.626 11.311 5.652 1.00 0.00 C ATOM 1120 C SER A 73 -0.669 12.472 5.402 1.00 0.00 C ATOM 1121 O SER A 73 -1.065 13.637 5.437 1.00 0.00 O ATOM 1122 CB SER A 73 -1.317 10.661 7.002 1.00 0.00 C ATOM 1123 OG SER A 73 -2.464 10.022 7.536 1.00 0.00 O ATOM 0 H SER A 73 -1.073 9.454 4.849 1.00 0.00 H new ATOM 0 HA SER A 73 -2.644 11.701 5.669 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.514 9.934 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.961 11.418 7.700 1.00 0.00 H new ATOM 0 HG SER A 73 -2.239 9.613 8.398 1.00 0.00 H new ATOM 1129 N LYS A 74 0.594 12.145 5.149 1.00 0.00 N ATOM 1130 CA LYS A 74 1.610 13.158 4.892 1.00 0.00 C ATOM 1131 C LYS A 74 1.020 14.339 4.127 1.00 0.00 C ATOM 1132 O LYS A 74 0.948 15.454 4.644 1.00 0.00 O ATOM 1133 CB LYS A 74 2.773 12.555 4.101 1.00 0.00 C ATOM 1134 CG LYS A 74 3.727 11.735 4.952 1.00 0.00 C ATOM 1135 CD LYS A 74 4.775 11.038 4.101 1.00 0.00 C ATOM 1136 CE LYS A 74 5.863 12.004 3.656 1.00 0.00 C ATOM 1137 NZ LYS A 74 6.782 11.385 2.661 1.00 0.00 N ATOM 0 H LYS A 74 0.938 11.185 5.117 1.00 0.00 H new ATOM 0 HA LYS A 74 1.979 13.517 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.373 11.924 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.329 13.359 3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.218 12.384 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.164 10.993 5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.222 10.221 4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.299 10.596 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.404 12.893 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.435 12.331 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.509 12.075 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.239 10.551 3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.241 11.095 1.822 1.00 0.00 H new ATOM 1151 N THR A 75 0.596 14.086 2.892 1.00 0.00 N ATOM 1152 CA THR A 75 0.011 15.127 2.057 1.00 0.00 C ATOM 1153 C THR A 75 -1.435 15.403 2.452 1.00 0.00 C ATOM 1154 O THR A 75 -1.837 16.555 2.609 1.00 0.00 O ATOM 1155 CB THR A 75 0.060 14.744 0.566 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.707 13.556 0.340 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.494 14.522 0.110 1.00 0.00 C ATOM 0 H THR A 75 0.647 13.169 2.449 1.00 0.00 H new ATOM 0 HA THR A 75 0.605 16.028 2.213 1.00 0.00 H new ATOM 0 HB THR A 75 -0.364 15.566 -0.011 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.211 12.954 -0.253 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.502 14.253 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.068 15.437 0.256 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.941 13.717 0.693 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.213 14.337 2.613 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.606 14.485 2.990 1.00 0.00 C ATOM 1167 C GLY A 76 -4.554 14.008 1.908 1.00 0.00 C ATOM 1168 O GLY A 76 -5.647 14.552 1.745 1.00 0.00 O ATOM 0 H GLY A 76 -1.903 13.373 2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.793 13.924 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.810 15.533 3.211 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.134 12.990 1.163 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.954 12.440 0.088 1.00 0.00 C ATOM 1174 C HIS A 77 -5.491 11.063 0.465 1.00 0.00 C ATOM 1175 O HIS A 77 -4.865 10.309 1.211 1.00 0.00 O ATOM 1176 CB HIS A 77 -4.142 12.349 -1.204 1.00 0.00 C ATOM 1177 CG HIS A 77 -4.208 13.588 -2.042 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -4.204 14.859 -1.507 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -4.277 13.747 -3.384 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -4.270 15.746 -2.484 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -4.315 15.097 -3.633 1.00 0.00 N ATOM 0 H HIS A 77 -3.232 12.530 1.283 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.800 13.109 -0.070 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.101 12.144 -0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.502 11.504 -1.791 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.298 12.959 -4.122 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.285 16.819 -2.363 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -4.369 15.528 -4.556 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.677 10.726 -0.061 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.324 9.438 0.206 1.00 0.00 C ATOM 1192 C PRO A 78 -6.592 8.273 -0.451 1.00 0.00 C ATOM 1193 O PRO A 78 -6.007 8.421 -1.525 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.717 9.607 -0.406 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.543 10.641 -1.463 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.479 11.575 -0.958 1.00 0.00 C ATOM 0 HA PRO A 78 -7.336 9.202 1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.082 8.669 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.443 9.925 0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.247 10.187 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.476 11.174 -1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.878 11.978 -1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.909 12.425 -0.428 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.627 7.115 0.199 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.967 5.924 -0.324 1.00 0.00 C ATOM 1206 C LEU A 79 -6.987 4.846 -0.675 1.00 0.00 C ATOM 1207 O LEU A 79 -8.024 4.724 -0.025 1.00 0.00 O ATOM 1208 CB LEU A 79 -4.967 5.382 0.699 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.086 4.224 0.228 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -2.898 4.746 -0.567 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.613 3.396 1.414 1.00 0.00 C ATOM 0 H LEU A 79 -7.105 6.975 1.089 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.434 6.203 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.319 6.201 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.520 5.057 1.580 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.680 3.583 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.282 3.908 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.256 5.295 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.303 5.410 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.988 2.577 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.036 4.026 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.476 2.991 1.942 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.682 4.065 -1.707 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.572 2.996 -2.144 1.00 0.00 C ATOM 1225 C GLN A 80 -6.948 1.628 -1.885 1.00 0.00 C ATOM 1226 O GLN A 80 -5.791 1.374 -2.220 1.00 0.00 O ATOM 1227 CB GLN A 80 -7.897 3.149 -3.631 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.426 4.525 -3.999 1.00 0.00 C ATOM 1229 CD GLN A 80 -9.855 4.742 -3.541 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.803 4.489 -4.285 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.017 5.214 -2.311 1.00 0.00 N ATOM 0 H GLN A 80 -5.826 4.153 -2.255 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.495 3.069 -1.569 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.998 2.947 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.635 2.398 -3.912 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.786 5.287 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.371 4.654 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.203 5.410 -1.729 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.956 5.381 -1.948 1.00 0.00 H new ATOM 1240 N PRO A 81 -7.731 0.726 -1.275 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.276 -0.631 -0.959 1.00 0.00 C ATOM 1242 C PRO A 81 -7.094 -1.488 -2.207 1.00 0.00 C ATOM 1243 O PRO A 81 -7.678 -1.226 -3.259 1.00 0.00 O ATOM 1244 CB PRO A 81 -8.404 -1.190 -0.087 1.00 0.00 C ATOM 1245 CG PRO A 81 -9.611 -0.415 -0.489 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.121 0.960 -0.849 1.00 0.00 C ATOM 0 HA PRO A 81 -6.301 -0.630 -0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.544 -2.258 -0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.186 -1.062 0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.112 -0.885 -1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.335 -0.370 0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.717 1.403 -1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.172 1.640 0.001 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.265 -2.536 -2.091 1.00 0.00 N ATOM 1255 CA PRO A 82 -5.988 -3.453 -3.201 1.00 0.00 C ATOM 1256 C PRO A 82 -7.193 -4.319 -3.552 1.00 0.00 C ATOM 1257 O PRO A 82 -8.109 -4.484 -2.744 1.00 0.00 O ATOM 1258 CB PRO A 82 -4.844 -4.319 -2.668 1.00 0.00 C ATOM 1259 CG PRO A 82 -4.992 -4.273 -1.186 1.00 0.00 C ATOM 1260 CD PRO A 82 -5.536 -2.908 -0.867 1.00 0.00 C ATOM 0 HA PRO A 82 -5.745 -2.919 -4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.914 -5.341 -3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.875 -3.931 -2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.668 -5.054 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.034 -4.436 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.194 -2.931 0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.738 -2.200 -0.644 1.00 0.00 H new