USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 50 THR OG1 : rot -39:sc= 1.23 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 90:sc= 0.343 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.125) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 94:sc= -0.302 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0963 K(o=-0.096,f=-1.7!) USER MOD Single : A 39 HIS : no HE2:sc= -8.38! C(o=-8.4!,f=-7.6!) USER MOD Single : A 41 SER OG : rot -79:sc= 0.285! USER MOD Single : A 42 GLN : amide:sc= -1.52 K(o=-1.5,f=-5.4!) USER MOD Single : A 52 ASN : amide:sc= -8.86! C(o=-8.9!,f=-15!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.415 K(o=0.42,f=-2.7!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 11 -0.705 -12.218 6.423 1.00 0.00 N ATOM 115 CA ARG A 11 -0.505 -12.059 4.993 1.00 0.00 C ATOM 116 C ARG A 11 0.218 -10.743 4.700 1.00 0.00 C ATOM 117 O ARG A 11 0.400 -9.919 5.595 1.00 0.00 O ATOM 118 CB ARG A 11 -1.840 -12.077 4.245 1.00 0.00 C ATOM 119 CG ARG A 11 -2.044 -13.408 3.519 1.00 0.00 C ATOM 120 CD ARG A 11 -3.367 -14.059 3.929 1.00 0.00 C ATOM 121 NE ARG A 11 -3.434 -15.442 3.407 1.00 0.00 N ATOM 122 CZ ARG A 11 -3.604 -15.750 2.114 1.00 0.00 C ATOM 123 NH1 ARG A 11 -3.724 -14.775 1.204 1.00 0.00 N ATOM 124 NH2 ARG A 11 -3.652 -17.033 1.732 1.00 0.00 N ATOM 0 HA ARG A 11 0.103 -12.895 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.657 -11.913 4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.869 -11.258 3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.034 -13.244 2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.217 -14.081 3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.457 -14.067 5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.203 -13.475 3.544 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.345 -16.209 4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.686 -13.798 1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.853 -15.009 0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.559 -17.775 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.781 -17.268 0.748 1.00 0.00 H new ATOM 138 N LYS A 12 0.611 -10.587 3.444 1.00 0.00 N ATOM 139 CA LYS A 12 1.310 -9.385 3.023 1.00 0.00 C ATOM 140 C LYS A 12 0.803 -8.963 1.643 1.00 0.00 C ATOM 141 O LYS A 12 0.126 -9.733 0.963 1.00 0.00 O ATOM 142 CB LYS A 12 2.824 -9.597 3.083 1.00 0.00 C ATOM 143 CG LYS A 12 3.256 -10.076 4.471 1.00 0.00 C ATOM 144 CD LYS A 12 4.729 -10.489 4.474 1.00 0.00 C ATOM 145 CE LYS A 12 4.924 -11.829 3.763 1.00 0.00 C ATOM 146 NZ LYS A 12 4.814 -12.948 4.725 1.00 0.00 N ATOM 0 H LYS A 12 0.459 -11.273 2.705 1.00 0.00 H new ATOM 0 HA LYS A 12 1.099 -8.562 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.122 -10.329 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.335 -8.665 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.096 -9.282 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.637 -10.919 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.326 -9.722 3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.088 -10.562 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.177 -11.942 2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.901 -11.852 3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.949 -13.850 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.543 -12.847 5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.873 -12.935 5.167 1.00 0.00 H new ATOM 160 N ALA A 13 1.149 -7.740 1.269 1.00 0.00 N ATOM 161 CA ALA A 13 0.737 -7.206 -0.018 1.00 0.00 C ATOM 162 C ALA A 13 1.898 -6.424 -0.636 1.00 0.00 C ATOM 163 O ALA A 13 2.765 -5.924 0.079 1.00 0.00 O ATOM 164 CB ALA A 13 -0.514 -6.344 0.163 1.00 0.00 C ATOM 0 H ALA A 13 1.710 -7.103 1.835 1.00 0.00 H new ATOM 0 HA ALA A 13 0.480 -8.014 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.823 -5.944 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.318 -6.952 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.294 -5.521 0.843 1.00 0.00 H new ATOM 170 N LYS A 14 1.878 -6.343 -1.959 1.00 0.00 N ATOM 171 CA LYS A 14 2.918 -5.630 -2.681 1.00 0.00 C ATOM 172 C LYS A 14 2.282 -4.519 -3.519 1.00 0.00 C ATOM 173 O LYS A 14 1.442 -4.787 -4.377 1.00 0.00 O ATOM 174 CB LYS A 14 3.767 -6.606 -3.498 1.00 0.00 C ATOM 175 CG LYS A 14 4.366 -5.917 -4.725 1.00 0.00 C ATOM 176 CD LYS A 14 5.148 -6.912 -5.586 1.00 0.00 C ATOM 177 CE LYS A 14 4.277 -7.461 -6.717 1.00 0.00 C ATOM 178 NZ LYS A 14 3.938 -8.880 -6.468 1.00 0.00 N ATOM 0 H LYS A 14 1.158 -6.759 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 14 3.605 -5.150 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.567 -7.007 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.154 -7.450 -3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.570 -5.465 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.025 -5.109 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.028 -6.423 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.505 -7.734 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.364 -6.872 -6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.803 -7.368 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.494 -9.285 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.804 -9.410 -6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.277 -8.944 -5.668 1.00 0.00 H new ATOM 192 N ALA A 15 2.706 -3.295 -3.240 1.00 0.00 N ATOM 193 CA ALA A 15 2.188 -2.143 -3.957 1.00 0.00 C ATOM 194 C ALA A 15 2.429 -2.330 -5.456 1.00 0.00 C ATOM 195 O ALA A 15 3.548 -2.615 -5.878 1.00 0.00 O ATOM 196 CB ALA A 15 2.841 -0.869 -3.416 1.00 0.00 C ATOM 0 H ALA A 15 3.402 -3.076 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 15 1.113 -2.048 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.452 -0.004 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.616 -0.767 -2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.921 -0.927 -3.554 1.00 0.00 H new ATOM 202 N LEU A 16 1.360 -2.161 -6.220 1.00 0.00 N ATOM 203 CA LEU A 16 1.441 -2.308 -7.663 1.00 0.00 C ATOM 204 C LEU A 16 2.052 -1.041 -8.267 1.00 0.00 C ATOM 205 O LEU A 16 2.938 -1.120 -9.117 1.00 0.00 O ATOM 206 CB LEU A 16 0.071 -2.665 -8.243 1.00 0.00 C ATOM 207 CG LEU A 16 -0.480 -4.041 -7.862 1.00 0.00 C ATOM 208 CD1 LEU A 16 -1.974 -4.140 -8.178 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.322 -5.158 -8.532 1.00 0.00 C ATOM 0 H LEU A 16 0.433 -1.924 -5.867 1.00 0.00 H new ATOM 0 HA LEU A 16 2.099 -3.137 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.645 -1.908 -7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.132 -2.608 -9.330 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.369 -4.167 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.341 -5.128 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.516 -3.379 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.131 -3.984 -9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.091 -6.125 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.266 -5.047 -9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.363 -5.099 -8.215 1.00 0.00 H new ATOM 221 N TYR A 17 1.555 0.096 -7.804 1.00 0.00 N ATOM 222 CA TYR A 17 2.041 1.377 -8.287 1.00 0.00 C ATOM 223 C TYR A 17 2.422 2.294 -7.123 1.00 0.00 C ATOM 224 O TYR A 17 1.795 2.253 -6.066 1.00 0.00 O ATOM 225 CB TYR A 17 0.879 2.007 -9.057 1.00 0.00 C ATOM 226 CG TYR A 17 0.188 1.051 -10.032 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.777 0.177 -9.574 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.530 1.063 -11.369 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.427 -0.722 -10.492 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.120 0.163 -12.287 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.067 -0.685 -11.803 1.00 0.00 C ATOM 232 OH TYR A 17 -1.681 -1.534 -12.670 1.00 0.00 O ATOM 0 H TYR A 17 0.820 0.157 -7.099 1.00 0.00 H new ATOM 0 HA TYR A 17 2.928 1.241 -8.906 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.143 2.378 -8.344 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.249 2.870 -9.611 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.044 0.167 -8.528 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.285 1.747 -11.727 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.184 -1.411 -10.147 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.139 0.162 -13.336 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.324 -1.395 -13.572 1.00 0.00 H new ATOM 242 N ALA A 18 3.448 3.099 -7.357 1.00 0.00 N ATOM 243 CA ALA A 18 3.920 4.024 -6.341 1.00 0.00 C ATOM 244 C ALA A 18 2.823 5.047 -6.039 1.00 0.00 C ATOM 245 O ALA A 18 2.255 5.641 -6.954 1.00 0.00 O ATOM 246 CB ALA A 18 5.218 4.683 -6.813 1.00 0.00 C ATOM 0 H ALA A 18 3.966 3.130 -8.235 1.00 0.00 H new ATOM 0 HA ALA A 18 4.141 3.495 -5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.572 5.377 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.974 3.916 -6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.034 5.226 -7.740 1.00 0.00 H new ATOM 252 N CYS A 19 2.558 5.221 -4.753 1.00 0.00 N ATOM 253 CA CYS A 19 1.539 6.162 -4.320 1.00 0.00 C ATOM 254 C CYS A 19 2.133 7.037 -3.214 1.00 0.00 C ATOM 255 O CYS A 19 2.853 6.545 -2.347 1.00 0.00 O ATOM 256 CB CYS A 19 0.267 5.446 -3.860 1.00 0.00 C ATOM 257 SG CYS A 19 -1.209 6.370 -4.424 1.00 0.00 S ATOM 0 H CYS A 19 3.031 4.726 -3.997 1.00 0.00 H new ATOM 0 HA CYS A 19 1.240 6.791 -5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.246 4.432 -4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.260 5.361 -2.773 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.621 5.881 -5.556 1.00 0.00 H new ATOM 263 N LYS A 20 1.808 8.320 -3.280 1.00 0.00 N ATOM 264 CA LYS A 20 2.300 9.268 -2.295 1.00 0.00 C ATOM 265 C LYS A 20 1.130 9.765 -1.443 1.00 0.00 C ATOM 266 O LYS A 20 0.302 10.543 -1.913 1.00 0.00 O ATOM 267 CB LYS A 20 3.084 10.391 -2.978 1.00 0.00 C ATOM 268 CG LYS A 20 4.056 11.054 -2.000 1.00 0.00 C ATOM 269 CD LYS A 20 5.424 11.272 -2.650 1.00 0.00 C ATOM 270 CE LYS A 20 6.144 9.941 -2.874 1.00 0.00 C ATOM 271 NZ LYS A 20 7.457 10.164 -3.520 1.00 0.00 N ATOM 0 H LYS A 20 1.210 8.725 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 20 3.004 8.784 -1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.635 9.990 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.392 11.136 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.650 12.010 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.166 10.431 -1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.300 11.787 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.033 11.917 -2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.283 9.431 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.531 9.290 -3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.932 9.250 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.317 10.631 -4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.045 10.768 -2.911 1.00 0.00 H new ATOM 350 N GLU A 26 -3.089 7.518 5.608 1.00 0.00 N ATOM 351 CA GLU A 26 -2.581 6.810 4.445 1.00 0.00 C ATOM 352 C GLU A 26 -1.081 6.552 4.594 1.00 0.00 C ATOM 353 O GLU A 26 -0.447 7.070 5.512 1.00 0.00 O ATOM 354 CB GLU A 26 -2.880 7.584 3.159 1.00 0.00 C ATOM 355 CG GLU A 26 -4.367 7.509 2.807 1.00 0.00 C ATOM 356 CD GLU A 26 -4.617 7.996 1.378 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.877 7.533 0.483 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.543 8.819 1.213 1.00 0.00 O ATOM 0 HA GLU A 26 -3.090 5.848 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.583 8.626 3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.288 7.177 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.718 6.482 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.941 8.115 3.507 1.00 0.00 H new ATOM 365 N LEU A 27 -0.556 5.752 3.678 1.00 0.00 N ATOM 366 CA LEU A 27 0.858 5.420 3.696 1.00 0.00 C ATOM 367 C LEU A 27 1.459 5.691 2.315 1.00 0.00 C ATOM 368 O LEU A 27 0.773 5.574 1.301 1.00 0.00 O ATOM 369 CB LEU A 27 1.065 3.985 4.185 1.00 0.00 C ATOM 370 CG LEU A 27 0.345 3.608 5.482 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.226 2.089 5.621 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.031 4.243 6.693 1.00 0.00 C ATOM 0 H LEU A 27 -1.085 5.324 2.918 1.00 0.00 H new ATOM 0 HA LEU A 27 1.389 6.054 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.737 3.304 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.133 3.820 4.325 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.668 4.007 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.289 1.848 6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.339 1.690 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.222 1.646 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.500 3.960 7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.062 3.894 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.020 5.328 6.590 1.00 0.00 H new ATOM 384 N SER A 28 2.735 6.049 2.320 1.00 0.00 N ATOM 385 CA SER A 28 3.436 6.338 1.081 1.00 0.00 C ATOM 386 C SER A 28 4.487 5.260 0.811 1.00 0.00 C ATOM 387 O SER A 28 5.220 4.861 1.715 1.00 0.00 O ATOM 388 CB SER A 28 4.093 7.719 1.129 1.00 0.00 C ATOM 389 OG SER A 28 5.143 7.778 2.091 1.00 0.00 O ATOM 0 H SER A 28 3.301 6.145 3.163 1.00 0.00 H new ATOM 0 HA SER A 28 2.709 6.339 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.489 7.966 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.340 8.470 1.367 1.00 0.00 H new ATOM 0 HG SER A 28 5.538 8.675 2.090 1.00 0.00 H new ATOM 395 N PHE A 29 4.529 4.818 -0.438 1.00 0.00 N ATOM 396 CA PHE A 29 5.478 3.794 -0.839 1.00 0.00 C ATOM 397 C PHE A 29 5.635 3.757 -2.360 1.00 0.00 C ATOM 398 O PHE A 29 4.964 4.499 -3.075 1.00 0.00 O ATOM 399 CB PHE A 29 4.916 2.453 -0.363 1.00 0.00 C ATOM 400 CG PHE A 29 3.418 2.279 -0.619 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.516 2.702 0.307 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.988 1.702 -1.773 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.125 2.541 0.069 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.597 1.541 -2.011 1.00 0.00 C ATOM 405 CZ PHE A 29 0.695 1.964 -1.085 1.00 0.00 C ATOM 0 H PHE A 29 3.920 5.151 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 29 6.456 4.003 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.455 1.647 -0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.106 2.350 0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.857 3.160 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.704 1.366 -2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.409 2.877 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.256 1.083 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.363 1.842 -1.266 1.00 0.00 H new ATOM 415 N THR A 30 6.525 2.885 -2.810 1.00 0.00 N ATOM 416 CA THR A 30 6.778 2.741 -4.234 1.00 0.00 C ATOM 417 C THR A 30 6.448 1.319 -4.693 1.00 0.00 C ATOM 418 O THR A 30 6.592 0.367 -3.928 1.00 0.00 O ATOM 419 CB THR A 30 8.230 3.143 -4.498 1.00 0.00 C ATOM 420 OG1 THR A 30 8.989 2.279 -3.657 1.00 0.00 O ATOM 421 CG2 THR A 30 8.553 4.546 -3.980 1.00 0.00 C ATOM 0 H THR A 30 7.080 2.271 -2.214 1.00 0.00 H new ATOM 0 HA THR A 30 6.132 3.396 -4.819 1.00 0.00 H new ATOM 0 HB THR A 30 8.430 3.097 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.944 2.471 -3.767 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.596 4.781 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.909 5.273 -4.474 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.385 4.584 -2.904 1.00 0.00 H new ATOM 429 N ALA A 31 6.012 1.221 -5.940 1.00 0.00 N ATOM 430 CA ALA A 31 5.660 -0.068 -6.511 1.00 0.00 C ATOM 431 C ALA A 31 6.679 -1.116 -6.059 1.00 0.00 C ATOM 432 O ALA A 31 7.885 -0.897 -6.160 1.00 0.00 O ATOM 433 CB ALA A 31 5.583 0.052 -8.034 1.00 0.00 C ATOM 0 H ALA A 31 5.894 2.013 -6.571 1.00 0.00 H new ATOM 0 HA ALA A 31 4.679 -0.389 -6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.319 -0.915 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.825 0.787 -8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.550 0.369 -8.423 1.00 0.00 H new ATOM 439 N GLY A 32 6.156 -2.231 -5.571 1.00 0.00 N ATOM 440 CA GLY A 32 7.006 -3.314 -5.104 1.00 0.00 C ATOM 441 C GLY A 32 6.961 -3.426 -3.579 1.00 0.00 C ATOM 442 O GLY A 32 6.926 -4.528 -3.035 1.00 0.00 O ATOM 0 H GLY A 32 5.155 -2.408 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.682 -4.254 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.032 -3.142 -5.430 1.00 0.00 H new ATOM 446 N THR A 33 6.964 -2.269 -2.932 1.00 0.00 N ATOM 447 CA THR A 33 6.925 -2.224 -1.480 1.00 0.00 C ATOM 448 C THR A 33 5.985 -3.303 -0.938 1.00 0.00 C ATOM 449 O THR A 33 4.827 -3.383 -1.344 1.00 0.00 O ATOM 450 CB THR A 33 6.528 -0.807 -1.062 1.00 0.00 C ATOM 451 OG1 THR A 33 7.712 -0.040 -1.266 1.00 0.00 O ATOM 452 CG2 THR A 33 6.264 -0.692 0.440 1.00 0.00 C ATOM 0 H THR A 33 6.993 -1.356 -3.387 1.00 0.00 H new ATOM 0 HA THR A 33 7.903 -2.444 -1.051 1.00 0.00 H new ATOM 0 HB THR A 33 5.637 -0.503 -1.611 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.715 0.321 -2.177 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.986 0.334 0.683 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.452 -1.364 0.719 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.165 -0.964 0.990 1.00 0.00 H new ATOM 460 N VAL A 34 6.520 -4.106 -0.029 1.00 0.00 N ATOM 461 CA VAL A 34 5.743 -5.176 0.572 1.00 0.00 C ATOM 462 C VAL A 34 5.262 -4.736 1.956 1.00 0.00 C ATOM 463 O VAL A 34 6.043 -4.220 2.754 1.00 0.00 O ATOM 464 CB VAL A 34 6.569 -6.464 0.609 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.914 -7.509 1.514 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.783 -7.018 -0.801 1.00 0.00 C ATOM 0 H VAL A 34 7.481 -4.037 0.305 1.00 0.00 H new ATOM 0 HA VAL A 34 4.858 -5.389 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 34 7.546 -6.224 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.521 -8.414 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.836 -7.115 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.918 -7.743 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.373 -7.933 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.817 -7.235 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.312 -6.281 -1.405 1.00 0.00 H new ATOM 476 N PHE A 35 3.978 -4.955 2.198 1.00 0.00 N ATOM 477 CA PHE A 35 3.383 -4.587 3.472 1.00 0.00 C ATOM 478 C PHE A 35 3.246 -5.806 4.386 1.00 0.00 C ATOM 479 O PHE A 35 2.753 -6.851 3.963 1.00 0.00 O ATOM 480 CB PHE A 35 1.989 -4.031 3.171 1.00 0.00 C ATOM 481 CG PHE A 35 1.994 -2.795 2.269 1.00 0.00 C ATOM 482 CD1 PHE A 35 1.952 -2.939 0.917 1.00 0.00 C ATOM 483 CD2 PHE A 35 2.041 -1.552 2.819 1.00 0.00 C ATOM 484 CE1 PHE A 35 1.956 -1.792 0.080 1.00 0.00 C ATOM 485 CE2 PHE A 35 2.045 -0.405 1.982 1.00 0.00 C ATOM 486 CZ PHE A 35 2.003 -0.549 0.630 1.00 0.00 C ATOM 0 H PHE A 35 3.333 -5.383 1.534 1.00 0.00 H new ATOM 0 HA PHE A 35 4.012 -3.855 3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.392 -4.811 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.498 -3.780 4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.916 -3.926 0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.075 -1.437 3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.922 -1.907 -0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.081 0.582 2.419 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.007 0.323 -0.007 1.00 0.00 H new ATOM 496 N ASP A 36 3.691 -5.632 5.621 1.00 0.00 N ATOM 497 CA ASP A 36 3.624 -6.705 6.599 1.00 0.00 C ATOM 498 C ASP A 36 2.244 -6.703 7.259 1.00 0.00 C ATOM 499 O ASP A 36 1.751 -5.655 7.671 1.00 0.00 O ATOM 500 CB ASP A 36 4.673 -6.517 7.697 1.00 0.00 C ATOM 501 CG ASP A 36 5.897 -7.428 7.585 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.725 -7.159 6.688 1.00 0.00 O ATOM 503 OD2 ASP A 36 5.977 -8.373 8.399 1.00 0.00 O ATOM 0 H ASP A 36 4.100 -4.764 5.967 1.00 0.00 H new ATOM 0 HA ASP A 36 3.810 -7.645 6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.008 -5.480 7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.199 -6.687 8.664 1.00 0.00 H new ATOM 508 N ASN A 37 1.660 -7.890 7.338 1.00 0.00 N ATOM 509 CA ASN A 37 0.346 -8.038 7.941 1.00 0.00 C ATOM 510 C ASN A 37 -0.636 -7.086 7.255 1.00 0.00 C ATOM 511 O ASN A 37 -0.840 -5.963 7.713 1.00 0.00 O ATOM 512 CB ASN A 37 0.380 -7.689 9.430 1.00 0.00 C ATOM 513 CG ASN A 37 -0.656 -8.503 10.208 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.472 -9.216 9.647 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.579 -8.356 11.527 1.00 0.00 N ATOM 0 H ASN A 37 2.072 -8.758 6.995 1.00 0.00 H new ATOM 0 HA ASN A 37 0.036 -9.076 7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.375 -7.883 9.830 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.185 -6.625 9.562 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.228 -8.856 12.135 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.129 -7.743 11.931 1.00 0.00 H new ATOM 522 N VAL A 38 -1.217 -7.569 6.167 1.00 0.00 N ATOM 523 CA VAL A 38 -2.173 -6.775 5.413 1.00 0.00 C ATOM 524 C VAL A 38 -3.587 -7.287 5.691 1.00 0.00 C ATOM 525 O VAL A 38 -3.778 -8.468 5.980 1.00 0.00 O ATOM 526 CB VAL A 38 -1.811 -6.794 3.927 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.946 -6.215 3.079 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.501 -6.047 3.671 1.00 0.00 C ATOM 0 H VAL A 38 -1.044 -8.501 5.789 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.138 -5.732 5.729 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.667 -7.833 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.663 -6.240 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.849 -6.808 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.135 -5.184 3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.268 -6.076 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.605 -5.010 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.304 -6.521 4.232 1.00 0.00 H new ATOM 538 N HIS A 39 -4.542 -6.374 5.594 1.00 0.00 N ATOM 539 CA HIS A 39 -5.934 -6.719 5.832 1.00 0.00 C ATOM 540 C HIS A 39 -6.833 -5.567 5.377 1.00 0.00 C ATOM 541 O HIS A 39 -6.375 -4.433 5.244 1.00 0.00 O ATOM 542 CB HIS A 39 -6.157 -7.102 7.296 1.00 0.00 C ATOM 543 CG HIS A 39 -5.822 -6.003 8.276 1.00 0.00 C ATOM 544 ND1 HIS A 39 -5.187 -6.241 9.482 1.00 0.00 N ATOM 545 CD2 HIS A 39 -6.040 -4.658 8.215 1.00 0.00 C ATOM 546 CE1 HIS A 39 -5.036 -5.085 10.111 1.00 0.00 C ATOM 547 NE2 HIS A 39 -5.565 -4.105 9.325 1.00 0.00 N ATOM 0 H HIS A 39 -4.380 -5.396 5.354 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.200 -7.597 5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.200 -7.390 7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.552 -7.978 7.528 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.886 -7.152 9.828 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.518 -4.132 7.402 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.575 -4.944 11.077 1.00 0.00 H new ATOM 555 N PRO A 40 -8.129 -5.907 5.145 1.00 0.00 N ATOM 556 CA PRO A 40 -9.096 -4.915 4.707 1.00 0.00 C ATOM 557 C PRO A 40 -9.507 -4.002 5.865 1.00 0.00 C ATOM 558 O PRO A 40 -10.175 -4.441 6.799 1.00 0.00 O ATOM 559 CB PRO A 40 -10.257 -5.719 4.144 1.00 0.00 C ATOM 560 CG PRO A 40 -10.104 -7.122 4.707 1.00 0.00 C ATOM 561 CD PRO A 40 -8.706 -7.240 5.292 1.00 0.00 C ATOM 0 HA PRO A 40 -8.694 -4.240 3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.212 -5.283 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.232 -5.731 3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.856 -7.310 5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.254 -7.866 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.739 -7.544 6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.116 -7.987 4.761 1.00 0.00 H new ATOM 569 N SER A 41 -9.089 -2.749 5.764 1.00 0.00 N ATOM 570 CA SER A 41 -9.405 -1.770 6.791 1.00 0.00 C ATOM 571 C SER A 41 -10.922 -1.666 6.965 1.00 0.00 C ATOM 572 O SER A 41 -11.656 -2.586 6.607 1.00 0.00 O ATOM 573 CB SER A 41 -8.815 -0.401 6.447 1.00 0.00 C ATOM 574 OG SER A 41 -9.773 0.453 5.828 1.00 0.00 O ATOM 0 H SER A 41 -8.534 -2.389 4.987 1.00 0.00 H new ATOM 0 HA SER A 41 -8.960 -2.102 7.729 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.442 0.072 7.356 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.962 -0.531 5.781 1.00 0.00 H new ATOM 0 HG SER A 41 -9.860 0.215 4.881 1.00 0.00 H new ATOM 580 N GLN A 42 -11.346 -0.538 7.516 1.00 0.00 N ATOM 581 CA GLN A 42 -12.762 -0.302 7.742 1.00 0.00 C ATOM 582 C GLN A 42 -13.362 0.483 6.574 1.00 0.00 C ATOM 583 O GLN A 42 -14.582 0.557 6.433 1.00 0.00 O ATOM 584 CB GLN A 42 -12.991 0.426 9.068 1.00 0.00 C ATOM 585 CG GLN A 42 -13.940 -0.364 9.971 1.00 0.00 C ATOM 586 CD GLN A 42 -15.364 -0.353 9.411 1.00 0.00 C ATOM 587 OE1 GLN A 42 -15.612 -0.700 8.268 1.00 0.00 O ATOM 588 NE2 GLN A 42 -16.283 0.062 10.278 1.00 0.00 N ATOM 0 H GLN A 42 -10.734 0.222 7.812 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.267 -1.266 7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.038 0.572 9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.405 1.416 8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.589 -1.392 10.063 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.936 0.065 10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.007 0.338 11.220 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -17.264 0.104 10.001 1.00 0.00 H new ATOM 597 N GLU A 43 -12.477 1.051 5.768 1.00 0.00 N ATOM 598 CA GLU A 43 -12.905 1.828 4.617 1.00 0.00 C ATOM 599 C GLU A 43 -13.168 0.908 3.423 1.00 0.00 C ATOM 600 O GLU A 43 -12.630 -0.196 3.355 1.00 0.00 O ATOM 601 CB GLU A 43 -11.872 2.901 4.265 1.00 0.00 C ATOM 602 CG GLU A 43 -12.051 4.142 5.141 1.00 0.00 C ATOM 603 CD GLU A 43 -12.137 3.762 6.620 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.100 3.305 7.150 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.236 3.937 7.188 1.00 0.00 O ATOM 0 H GLU A 43 -11.466 0.989 5.889 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.836 2.335 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.867 2.500 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.971 3.175 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.216 4.825 4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.956 4.673 4.845 1.00 0.00 H new ATOM 612 N PRO A 44 -14.017 1.410 2.487 1.00 0.00 N ATOM 613 CA PRO A 44 -14.358 0.645 1.299 1.00 0.00 C ATOM 614 C PRO A 44 -13.201 0.642 0.298 1.00 0.00 C ATOM 615 O PRO A 44 -12.798 1.695 -0.193 1.00 0.00 O ATOM 616 CB PRO A 44 -15.614 1.305 0.753 1.00 0.00 C ATOM 617 CG PRO A 44 -15.665 2.688 1.382 1.00 0.00 C ATOM 618 CD PRO A 44 -14.673 2.713 2.534 1.00 0.00 C ATOM 0 HA PRO A 44 -14.539 -0.408 1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.579 1.372 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.502 0.727 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.414 3.452 0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.671 2.908 1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.953 3.523 2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.178 2.868 3.488 1.00 0.00 H new ATOM 626 N GLY A 45 -12.700 -0.554 0.026 1.00 0.00 N ATOM 627 CA GLY A 45 -11.597 -0.708 -0.908 1.00 0.00 C ATOM 628 C GLY A 45 -10.327 -0.045 -0.371 1.00 0.00 C ATOM 629 O GLY A 45 -9.636 0.664 -1.101 1.00 0.00 O ATOM 0 H GLY A 45 -13.037 -1.425 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.411 -1.767 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.864 -0.266 -1.868 1.00 0.00 H new ATOM 633 N TRP A 46 -10.058 -0.300 0.901 1.00 0.00 N ATOM 634 CA TRP A 46 -8.883 0.264 1.545 1.00 0.00 C ATOM 635 C TRP A 46 -8.305 -0.797 2.484 1.00 0.00 C ATOM 636 O TRP A 46 -9.001 -1.295 3.367 1.00 0.00 O ATOM 637 CB TRP A 46 -9.224 1.573 2.259 1.00 0.00 C ATOM 638 CG TRP A 46 -9.471 2.751 1.315 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.646 3.273 0.937 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.467 3.538 0.641 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.473 4.334 0.071 1.00 0.00 N ATOM 642 CE2 TRP A 46 -9.106 4.500 -0.114 1.00 0.00 C ATOM 643 CE3 TRP A 46 -7.065 3.440 0.668 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.423 5.438 -0.898 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.397 4.384 -0.121 1.00 0.00 C ATOM 646 CH2 TRP A 46 -7.025 5.360 -0.886 1.00 0.00 C ATOM 0 H TRP A 46 -10.633 -0.889 1.503 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.126 0.525 0.806 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.112 1.420 2.872 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.409 1.828 2.936 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.607 2.909 1.268 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -11.212 4.893 -0.355 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.544 2.695 1.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.946 6.182 -1.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.318 4.352 -0.136 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.438 6.055 -1.468 1.00 0.00 H new ATOM 657 N LEU A 47 -7.037 -1.110 2.261 1.00 0.00 N ATOM 658 CA LEU A 47 -6.357 -2.102 3.076 1.00 0.00 C ATOM 659 C LEU A 47 -5.617 -1.399 4.217 1.00 0.00 C ATOM 660 O LEU A 47 -5.234 -0.237 4.089 1.00 0.00 O ATOM 661 CB LEU A 47 -5.454 -2.981 2.208 1.00 0.00 C ATOM 662 CG LEU A 47 -6.115 -3.619 0.984 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.143 -4.553 0.261 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.413 -4.330 1.370 1.00 0.00 C ATOM 0 H LEU A 47 -6.463 -0.694 1.528 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.079 -2.779 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.612 -2.378 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.046 -3.776 2.832 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.379 -2.825 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.638 -4.993 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.271 -3.987 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.827 -5.345 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.862 -4.775 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.197 -5.112 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.106 -3.611 1.806 1.00 0.00 H new ATOM 676 N GLU A 48 -5.440 -2.133 5.305 1.00 0.00 N ATOM 677 CA GLU A 48 -4.753 -1.594 6.467 1.00 0.00 C ATOM 678 C GLU A 48 -3.630 -2.536 6.904 1.00 0.00 C ATOM 679 O GLU A 48 -3.879 -3.538 7.573 1.00 0.00 O ATOM 680 CB GLU A 48 -5.733 -1.341 7.614 1.00 0.00 C ATOM 681 CG GLU A 48 -5.072 -0.533 8.732 1.00 0.00 C ATOM 682 CD GLU A 48 -6.114 0.252 9.532 1.00 0.00 C ATOM 683 OE1 GLU A 48 -7.032 -0.406 10.066 1.00 0.00 O ATOM 684 OE2 GLU A 48 -5.968 1.492 9.590 1.00 0.00 O ATOM 0 H GLU A 48 -5.760 -3.096 5.407 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.311 -0.636 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.605 -0.805 7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.089 -2.292 8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.528 -1.203 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.342 0.155 8.305 1.00 0.00 H new ATOM 691 N GLY A 49 -2.416 -2.182 6.508 1.00 0.00 N ATOM 692 CA GLY A 49 -1.253 -2.983 6.850 1.00 0.00 C ATOM 693 C GLY A 49 -0.218 -2.151 7.609 1.00 0.00 C ATOM 694 O GLY A 49 -0.490 -1.015 7.993 1.00 0.00 O ATOM 0 H GLY A 49 -2.213 -1.351 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.559 -3.833 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.805 -3.387 5.942 1.00 0.00 H new ATOM 698 N THR A 50 0.949 -2.748 7.801 1.00 0.00 N ATOM 699 CA THR A 50 2.027 -2.076 8.506 1.00 0.00 C ATOM 700 C THR A 50 3.216 -1.849 7.571 1.00 0.00 C ATOM 701 O THR A 50 3.961 -2.780 7.270 1.00 0.00 O ATOM 702 CB THR A 50 2.376 -2.910 9.741 1.00 0.00 C ATOM 703 OG1 THR A 50 1.228 -2.790 10.576 1.00 0.00 O ATOM 704 CG2 THR A 50 3.504 -2.289 10.567 1.00 0.00 C ATOM 0 H THR A 50 1.172 -3.690 7.480 1.00 0.00 H new ATOM 0 HA THR A 50 1.723 -1.084 8.840 1.00 0.00 H new ATOM 0 HB THR A 50 2.664 -3.915 9.431 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.883 -1.874 10.528 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.712 -2.920 11.431 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.401 -2.206 9.954 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.204 -1.298 10.906 1.00 0.00 H new ATOM 712 N LEU A 51 3.357 -0.605 7.137 1.00 0.00 N ATOM 713 CA LEU A 51 4.443 -0.243 6.242 1.00 0.00 C ATOM 714 C LEU A 51 5.575 0.394 7.052 1.00 0.00 C ATOM 715 O LEU A 51 5.338 1.301 7.848 1.00 0.00 O ATOM 716 CB LEU A 51 3.928 0.641 5.105 1.00 0.00 C ATOM 717 CG LEU A 51 4.996 1.353 4.272 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.225 0.463 4.079 1.00 0.00 C ATOM 719 CD2 LEU A 51 4.422 1.834 2.938 1.00 0.00 C ATOM 0 H LEU A 51 2.737 0.165 7.389 1.00 0.00 H new ATOM 0 HA LEU A 51 4.854 -1.132 5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.325 0.025 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.264 1.395 5.529 1.00 0.00 H new ATOM 0 HG LEU A 51 5.322 2.237 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.968 0.993 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.650 0.213 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.934 -0.453 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.202 2.336 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.051 0.979 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.603 2.529 3.124 1.00 0.00 H new ATOM 731 N ASN A 52 6.779 -0.106 6.820 1.00 0.00 N ATOM 732 CA ASN A 52 7.948 0.402 7.518 1.00 0.00 C ATOM 733 C ASN A 52 7.583 0.684 8.977 1.00 0.00 C ATOM 734 O ASN A 52 7.686 1.819 9.438 1.00 0.00 O ATOM 735 CB ASN A 52 8.437 1.710 6.892 1.00 0.00 C ATOM 736 CG ASN A 52 7.427 2.837 7.117 1.00 0.00 C ATOM 737 OD1 ASN A 52 6.355 2.870 6.535 1.00 0.00 O ATOM 738 ND2 ASN A 52 7.827 3.755 7.992 1.00 0.00 N ATOM 0 H ASN A 52 6.971 -0.858 6.158 1.00 0.00 H new ATOM 0 HA ASN A 52 8.735 -0.348 7.448 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.399 1.987 7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.597 1.568 5.823 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.223 4.547 8.212 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.737 3.667 8.444 1.00 0.00 H new ATOM 745 N GLY A 53 7.164 -0.370 9.662 1.00 0.00 N ATOM 746 CA GLY A 53 6.783 -0.250 11.060 1.00 0.00 C ATOM 747 C GLY A 53 5.804 0.908 11.264 1.00 0.00 C ATOM 748 O GLY A 53 5.789 1.534 12.322 1.00 0.00 O ATOM 0 H GLY A 53 7.080 -1.310 9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.327 -1.181 11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.672 -0.091 11.671 1.00 0.00 H new ATOM 752 N LYS A 54 5.008 1.157 10.234 1.00 0.00 N ATOM 753 CA LYS A 54 4.028 2.228 10.287 1.00 0.00 C ATOM 754 C LYS A 54 2.702 1.730 9.709 1.00 0.00 C ATOM 755 O LYS A 54 2.633 1.355 8.540 1.00 0.00 O ATOM 756 CB LYS A 54 4.567 3.482 9.596 1.00 0.00 C ATOM 757 CG LYS A 54 3.750 4.716 9.983 1.00 0.00 C ATOM 758 CD LYS A 54 4.380 5.991 9.419 1.00 0.00 C ATOM 759 CE LYS A 54 3.468 7.199 9.642 1.00 0.00 C ATOM 760 NZ LYS A 54 4.265 8.443 9.719 1.00 0.00 N ATOM 0 H LYS A 54 5.022 0.635 9.358 1.00 0.00 H new ATOM 0 HA LYS A 54 3.837 2.518 11.320 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.611 3.632 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.538 3.347 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.731 4.614 9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.685 4.788 11.069 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.344 6.166 9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.570 5.866 8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.746 7.272 8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.899 7.067 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.631 9.253 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.937 8.377 10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.789 8.575 8.830 1.00 0.00 H new ATOM 774 N THR A 55 1.683 1.741 10.555 1.00 0.00 N ATOM 775 CA THR A 55 0.363 1.295 10.143 1.00 0.00 C ATOM 776 C THR A 55 -0.437 2.462 9.560 1.00 0.00 C ATOM 777 O THR A 55 -0.380 3.577 10.076 1.00 0.00 O ATOM 778 CB THR A 55 -0.312 0.638 11.349 1.00 0.00 C ATOM 779 OG1 THR A 55 0.377 -0.600 11.501 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.757 0.227 11.060 1.00 0.00 C ATOM 0 H THR A 55 1.745 2.052 11.525 1.00 0.00 H new ATOM 0 HA THR A 55 0.427 0.555 9.345 1.00 0.00 H new ATOM 0 HB THR A 55 -0.293 1.326 12.194 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.004 -1.091 12.263 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.189 -0.234 11.948 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.339 1.108 10.789 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.774 -0.487 10.236 1.00 0.00 H new ATOM 788 N GLY A 56 -1.164 2.165 8.493 1.00 0.00 N ATOM 789 CA GLY A 56 -1.974 3.175 7.835 1.00 0.00 C ATOM 790 C GLY A 56 -2.939 2.537 6.833 1.00 0.00 C ATOM 791 O GLY A 56 -3.116 1.320 6.826 1.00 0.00 O ATOM 0 H GLY A 56 -1.209 1.239 8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.537 3.737 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.328 3.886 7.321 1.00 0.00 H new ATOM 795 N LEU A 57 -3.537 3.388 6.012 1.00 0.00 N ATOM 796 CA LEU A 57 -4.479 2.922 5.009 1.00 0.00 C ATOM 797 C LEU A 57 -3.749 2.740 3.676 1.00 0.00 C ATOM 798 O LEU A 57 -2.865 3.524 3.336 1.00 0.00 O ATOM 799 CB LEU A 57 -5.683 3.863 4.927 1.00 0.00 C ATOM 800 CG LEU A 57 -6.532 3.977 6.194 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.636 5.022 6.022 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.092 2.614 6.604 1.00 0.00 C ATOM 0 H LEU A 57 -3.387 4.397 6.021 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.882 1.949 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.324 4.858 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.325 3.529 4.112 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.889 4.318 7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.225 5.083 6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.188 5.994 5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.283 4.735 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.692 2.724 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.715 2.220 5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.269 1.925 6.796 1.00 0.00 H new ATOM 814 N ILE A 58 -4.147 1.700 2.958 1.00 0.00 N ATOM 815 CA ILE A 58 -3.542 1.405 1.670 1.00 0.00 C ATOM 816 C ILE A 58 -4.644 1.133 0.644 1.00 0.00 C ATOM 817 O ILE A 58 -5.642 0.486 0.956 1.00 0.00 O ATOM 818 CB ILE A 58 -2.531 0.264 1.802 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.437 0.616 2.813 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.951 -0.115 0.438 1.00 0.00 C ATOM 821 CD1 ILE A 58 -1.119 -0.578 3.715 1.00 0.00 C ATOM 0 H ILE A 58 -4.881 1.051 3.243 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.975 2.264 1.310 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.053 -0.613 2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.536 0.928 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.758 1.461 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.235 -0.928 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.756 -0.436 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.448 0.749 0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.339 -0.301 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.016 -0.872 4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.775 -1.413 3.105 1.00 0.00 H new ATOM 833 N PRO A 59 -4.420 1.656 -0.591 1.00 0.00 N ATOM 834 CA PRO A 59 -5.382 1.476 -1.665 1.00 0.00 C ATOM 835 C PRO A 59 -5.326 0.052 -2.220 1.00 0.00 C ATOM 836 O PRO A 59 -4.321 -0.353 -2.802 1.00 0.00 O ATOM 837 CB PRO A 59 -5.019 2.530 -2.699 1.00 0.00 C ATOM 838 CG PRO A 59 -3.593 2.950 -2.383 1.00 0.00 C ATOM 839 CD PRO A 59 -3.249 2.428 -0.997 1.00 0.00 C ATOM 0 HA PRO A 59 -6.412 1.601 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.093 2.128 -3.709 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.698 3.381 -2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.903 2.547 -3.125 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.499 4.035 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.353 1.807 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.053 3.246 -0.303 1.00 0.00 H new ATOM 847 N GLU A 60 -6.419 -0.671 -2.020 1.00 0.00 N ATOM 848 CA GLU A 60 -6.507 -2.042 -2.492 1.00 0.00 C ATOM 849 C GLU A 60 -6.292 -2.096 -4.006 1.00 0.00 C ATOM 850 O GLU A 60 -5.914 -3.135 -4.546 1.00 0.00 O ATOM 851 CB GLU A 60 -7.847 -2.670 -2.105 1.00 0.00 C ATOM 852 CG GLU A 60 -8.137 -3.909 -2.955 1.00 0.00 C ATOM 853 CD GLU A 60 -9.151 -4.823 -2.264 1.00 0.00 C ATOM 854 OE1 GLU A 60 -10.348 -4.462 -2.286 1.00 0.00 O ATOM 855 OE2 GLU A 60 -8.707 -5.861 -1.728 1.00 0.00 O ATOM 0 H GLU A 60 -7.251 -0.332 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.720 -2.623 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.834 -2.943 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.646 -1.940 -2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.521 -3.605 -3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.212 -4.456 -3.134 1.00 0.00 H new ATOM 862 N ASN A 61 -6.543 -0.965 -4.648 1.00 0.00 N ATOM 863 CA ASN A 61 -6.382 -0.871 -6.089 1.00 0.00 C ATOM 864 C ASN A 61 -4.946 -0.452 -6.411 1.00 0.00 C ATOM 865 O ASN A 61 -4.668 0.033 -7.507 1.00 0.00 O ATOM 866 CB ASN A 61 -7.325 0.179 -6.681 1.00 0.00 C ATOM 867 CG ASN A 61 -7.173 1.521 -5.962 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.532 1.679 -4.806 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.623 2.475 -6.707 1.00 0.00 N ATOM 0 H ASN A 61 -6.857 -0.106 -4.197 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.612 -1.846 -6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.113 0.305 -7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.356 -0.166 -6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.479 3.407 -6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.345 2.275 -7.668 1.00 0.00 H new ATOM 876 N TYR A 62 -4.072 -0.655 -5.437 1.00 0.00 N ATOM 877 CA TYR A 62 -2.672 -0.305 -5.603 1.00 0.00 C ATOM 878 C TYR A 62 -1.765 -1.334 -4.926 1.00 0.00 C ATOM 879 O TYR A 62 -0.576 -1.086 -4.729 1.00 0.00 O ATOM 880 CB TYR A 62 -2.491 1.049 -4.913 1.00 0.00 C ATOM 881 CG TYR A 62 -2.028 2.168 -5.848 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.792 2.510 -6.945 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.846 2.834 -5.595 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.356 3.563 -7.826 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.411 3.887 -6.476 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.187 4.200 -7.548 1.00 0.00 C ATOM 887 OH TYR A 62 -0.776 5.194 -8.379 1.00 0.00 O ATOM 0 H TYR A 62 -4.306 -1.058 -4.530 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.407 -0.275 -6.660 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.436 1.341 -4.455 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.766 0.940 -4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.717 1.988 -7.143 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.248 2.566 -4.737 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.944 3.840 -8.688 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.512 4.417 -6.289 1.00 0.00 H new ATOM 0 HH TYR A 62 0.074 5.559 -8.057 1.00 0.00 H new ATOM 897 N VAL A 63 -2.360 -2.469 -4.588 1.00 0.00 N ATOM 898 CA VAL A 63 -1.621 -3.537 -3.937 1.00 0.00 C ATOM 899 C VAL A 63 -1.845 -4.844 -4.700 1.00 0.00 C ATOM 900 O VAL A 63 -2.672 -4.903 -5.609 1.00 0.00 O ATOM 901 CB VAL A 63 -2.021 -3.628 -2.463 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.625 -2.358 -1.708 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.519 -3.907 -2.318 1.00 0.00 C ATOM 0 H VAL A 63 -3.346 -2.672 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.551 -3.329 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.480 -4.464 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.921 -2.449 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.545 -2.220 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.126 -1.499 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.777 -3.967 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.086 -3.102 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.762 -4.851 -2.805 1.00 0.00 H new ATOM 913 N GLU A 64 -1.095 -5.861 -4.301 1.00 0.00 N ATOM 914 CA GLU A 64 -1.202 -7.164 -4.935 1.00 0.00 C ATOM 915 C GLU A 64 -0.860 -8.270 -3.935 1.00 0.00 C ATOM 916 O GLU A 64 0.280 -8.730 -3.879 1.00 0.00 O ATOM 917 CB GLU A 64 -0.305 -7.246 -6.172 1.00 0.00 C ATOM 918 CG GLU A 64 -0.021 -8.702 -6.547 1.00 0.00 C ATOM 919 CD GLU A 64 0.013 -8.881 -8.066 1.00 0.00 C ATOM 920 OE1 GLU A 64 -0.834 -8.247 -8.731 1.00 0.00 O ATOM 921 OE2 GLU A 64 0.886 -9.647 -8.528 1.00 0.00 O ATOM 0 H GLU A 64 -0.411 -5.809 -3.546 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.232 -7.304 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.785 -6.738 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.634 -6.726 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.933 -9.012 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.787 -9.348 -6.118 1.00 0.00 H new ATOM 928 N PHE A 65 -1.867 -8.666 -3.171 1.00 0.00 N ATOM 929 CA PHE A 65 -1.688 -9.710 -2.176 1.00 0.00 C ATOM 930 C PHE A 65 -0.774 -10.818 -2.704 1.00 0.00 C ATOM 931 O PHE A 65 -0.922 -11.260 -3.842 1.00 0.00 O ATOM 932 CB PHE A 65 -3.071 -10.298 -1.891 1.00 0.00 C ATOM 933 CG PHE A 65 -3.896 -9.489 -0.888 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.765 -9.721 0.445 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.762 -8.538 -1.331 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.531 -8.971 1.376 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.528 -7.787 -0.400 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.396 -8.019 0.933 1.00 0.00 C ATOM 0 H PHE A 65 -2.811 -8.282 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.230 -9.295 -1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.624 -10.369 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.952 -11.313 -1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.078 -10.476 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.867 -8.354 -2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.427 -9.156 2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.215 -7.032 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.978 -7.447 1.641 1.00 0.00 H new ATOM 948 N LEU A 66 0.151 -11.234 -1.851 1.00 0.00 N ATOM 949 CA LEU A 66 1.088 -12.282 -2.216 1.00 0.00 C ATOM 950 C LEU A 66 0.647 -13.601 -1.578 1.00 0.00 C ATOM 951 O LEU A 66 0.253 -13.630 -0.413 1.00 0.00 O ATOM 952 CB LEU A 66 2.517 -11.872 -1.855 1.00 0.00 C ATOM 953 CG LEU A 66 2.887 -10.414 -2.131 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.551 -9.776 -0.909 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.758 -10.296 -3.384 1.00 0.00 C ATOM 0 H LEU A 66 0.271 -10.864 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 66 1.087 -12.434 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.674 -12.071 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.207 -12.512 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 66 1.969 -9.860 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.804 -8.740 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.864 -9.808 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.459 -10.325 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.007 -9.249 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.675 -10.868 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.214 -10.687 -4.244 1.00 0.00 H new