USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 43 THR OG1 : rot 160:sc= 1.3 USER MOD Set 1.2: A 51 TYR OH : rot -177:sc= -0.809 USER MOD Single : A 3 GLN : amide:sc= -2.87! C(o=-2.9!,f=-9.4!) USER MOD Single : A 6 THR OG1 : rot -169:sc= -1.42 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 156:sc= -0.973 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 70:sc= -0.118 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.00597 K(o=0.006,f=-1.8) USER MOD Single : A 27 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= 0.339 (180deg=0.059) USER MOD Single : A 45 ASN : amide:sc= -0.99 K(o=-0.99,f=-1.6) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N GLN A 3 0.367 9.986 0.331 1.00 0.00 N ATOM 36 CA GLN A 3 -0.041 8.949 1.271 1.00 0.00 C ATOM 37 C GLN A 3 0.448 7.579 0.809 1.00 0.00 C ATOM 38 O GLN A 3 -0.266 6.582 0.924 1.00 0.00 O ATOM 39 CB GLN A 3 -1.566 8.947 1.425 1.00 0.00 C ATOM 40 CG GLN A 3 -2.038 9.403 2.796 1.00 0.00 C ATOM 41 CD GLN A 3 -1.874 8.330 3.857 1.00 0.00 C ATOM 42 OE1 GLN A 3 -2.292 7.187 3.669 1.00 0.00 O ATOM 43 NE2 GLN A 3 -1.266 8.696 4.979 1.00 0.00 N ATOM 0 HA GLN A 3 0.410 9.164 2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.001 9.597 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.941 7.941 1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.478 10.290 3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.087 9.693 2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.936 9.655 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.129 8.019 5.729 1.00 0.00 H new ATOM 52 N ARG A 4 1.668 7.539 0.285 1.00 0.00 N ATOM 53 CA ARG A 4 2.252 6.291 -0.196 1.00 0.00 C ATOM 54 C ARG A 4 2.797 5.466 0.958 1.00 0.00 C ATOM 55 O ARG A 4 3.870 5.746 1.493 1.00 0.00 O ATOM 56 CB ARG A 4 3.362 6.573 -1.211 1.00 0.00 C ATOM 57 CG ARG A 4 4.351 7.632 -0.753 1.00 0.00 C ATOM 58 CD ARG A 4 5.698 7.468 -1.439 1.00 0.00 C ATOM 59 NE ARG A 4 6.624 8.544 -1.093 1.00 0.00 N ATOM 60 CZ ARG A 4 6.552 9.774 -1.598 1.00 0.00 C ATOM 61 NH1 ARG A 4 5.604 10.085 -2.472 1.00 0.00 N ATOM 62 NH2 ARG A 4 7.432 10.693 -1.228 1.00 0.00 N ATOM 0 H ARG A 4 2.272 8.355 0.182 1.00 0.00 H new ATOM 0 HA ARG A 4 1.464 5.719 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.901 5.648 -1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.911 6.891 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.950 8.623 -0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.481 7.567 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.134 6.510 -1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.554 7.447 -2.519 1.00 0.00 H new ATOM 0 HE ARG A 4 7.369 8.341 -0.426 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.925 9.380 -2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.554 11.029 -2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.163 10.458 -0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.378 11.636 -1.614 1.00 0.00 H new ATOM 76 N ILE A 5 2.042 4.444 1.331 1.00 0.00 N ATOM 77 CA ILE A 5 2.426 3.560 2.419 1.00 0.00 C ATOM 78 C ILE A 5 2.821 2.193 1.880 1.00 0.00 C ATOM 79 O ILE A 5 2.887 1.988 0.669 1.00 0.00 O ATOM 80 CB ILE A 5 1.280 3.382 3.437 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.335 4.578 3.396 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.831 3.189 4.845 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.863 4.438 4.307 1.00 0.00 C ATOM 0 H ILE A 5 1.153 4.206 0.892 1.00 0.00 H new ATOM 0 HA ILE A 5 3.276 4.021 2.923 1.00 0.00 H new ATOM 0 HB ILE A 5 0.720 2.488 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.888 5.476 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.013 4.720 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.005 3.066 5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.463 2.301 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.419 4.062 5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.489 5.326 4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.440 3.559 4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.525 4.327 5.337 1.00 0.00 H new ATOM 95 N THR A 6 3.076 1.263 2.785 1.00 0.00 N ATOM 96 CA THR A 6 3.460 -0.092 2.407 1.00 0.00 C ATOM 97 C THR A 6 2.235 -0.990 2.270 1.00 0.00 C ATOM 98 O THR A 6 1.201 -0.744 2.893 1.00 0.00 O ATOM 99 CB THR A 6 4.429 -0.678 3.437 1.00 0.00 C ATOM 100 OG1 THR A 6 4.360 0.039 4.656 1.00 0.00 O ATOM 101 CG2 THR A 6 5.871 -0.666 2.978 1.00 0.00 C ATOM 0 H THR A 6 3.024 1.420 3.792 1.00 0.00 H new ATOM 0 HA THR A 6 3.958 -0.043 1.439 1.00 0.00 H new ATOM 0 HB THR A 6 4.116 -1.714 3.570 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.100 -0.233 5.238 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.504 -1.095 3.755 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.967 -1.255 2.066 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.182 0.360 2.782 1.00 0.00 H new ATOM 109 N LEU A 7 2.357 -2.035 1.459 1.00 0.00 N ATOM 110 CA LEU A 7 1.260 -2.973 1.250 1.00 0.00 C ATOM 111 C LEU A 7 1.067 -3.858 2.477 1.00 0.00 C ATOM 112 O LEU A 7 -0.060 -4.176 2.856 1.00 0.00 O ATOM 113 CB LEU A 7 1.526 -3.837 0.016 1.00 0.00 C ATOM 114 CG LEU A 7 0.502 -4.947 -0.234 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.871 -4.356 -0.511 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.948 -5.832 -1.389 1.00 0.00 C ATOM 0 H LEU A 7 3.205 -2.254 0.935 1.00 0.00 H new ATOM 0 HA LEU A 7 0.347 -2.400 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.559 -3.190 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.513 -4.290 0.115 1.00 0.00 H new ATOM 0 HG LEU A 7 0.434 -5.561 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.585 -5.161 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.193 -3.766 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.821 -3.717 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.209 -6.616 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.045 -5.230 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.910 -6.285 -1.150 1.00 0.00 H new ATOM 128 N LYS A 8 2.178 -4.251 3.095 1.00 0.00 N ATOM 129 CA LYS A 8 2.136 -5.097 4.279 1.00 0.00 C ATOM 130 C LYS A 8 1.493 -4.363 5.452 1.00 0.00 C ATOM 131 O LYS A 8 0.666 -4.924 6.171 1.00 0.00 O ATOM 132 CB LYS A 8 3.549 -5.548 4.658 1.00 0.00 C ATOM 133 CG LYS A 8 3.595 -6.912 5.325 1.00 0.00 C ATOM 134 CD LYS A 8 4.687 -6.979 6.381 1.00 0.00 C ATOM 135 CE LYS A 8 4.981 -8.413 6.790 1.00 0.00 C ATOM 136 NZ LYS A 8 6.227 -8.927 6.158 1.00 0.00 N ATOM 0 H LYS A 8 3.118 -3.995 2.793 1.00 0.00 H new ATOM 0 HA LYS A 8 1.530 -5.973 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.167 -5.571 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.989 -4.810 5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.630 -7.127 5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.768 -7.681 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.596 -6.516 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.383 -6.405 7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.074 -8.469 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.142 -9.050 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.392 -9.908 6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.129 -8.898 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.032 -8.335 6.446 1.00 0.00 H new ATOM 150 N ASP A 9 1.882 -3.105 5.639 1.00 0.00 N ATOM 151 CA ASP A 9 1.343 -2.293 6.723 1.00 0.00 C ATOM 152 C ASP A 9 -0.168 -2.135 6.590 1.00 0.00 C ATOM 153 O ASP A 9 -0.906 -2.307 7.559 1.00 0.00 O ATOM 154 CB ASP A 9 2.011 -0.916 6.738 1.00 0.00 C ATOM 155 CG ASP A 9 3.495 -0.995 7.042 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.171 -1.875 6.468 1.00 0.00 O ATOM 157 OD2 ASP A 9 3.978 -0.179 7.855 1.00 0.00 O ATOM 0 H ASP A 9 2.568 -2.627 5.054 1.00 0.00 H new ATOM 0 HA ASP A 9 1.554 -2.804 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.866 -0.435 5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.524 -0.287 7.483 1.00 0.00 H new ATOM 162 N TYR A 10 -0.619 -1.803 5.385 1.00 0.00 N ATOM 163 CA TYR A 10 -2.042 -1.619 5.127 1.00 0.00 C ATOM 164 C TYR A 10 -2.821 -2.895 5.433 1.00 0.00 C ATOM 165 O TYR A 10 -3.981 -2.843 5.843 1.00 0.00 O ATOM 166 CB TYR A 10 -2.268 -1.204 3.673 1.00 0.00 C ATOM 167 CG TYR A 10 -3.665 -0.693 3.399 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.759 -1.545 3.454 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.887 0.643 3.087 1.00 0.00 C ATOM 170 CE1 TYR A 10 -6.038 -1.082 3.205 1.00 0.00 C ATOM 171 CE2 TYR A 10 -5.162 1.114 2.836 1.00 0.00 C ATOM 172 CZ TYR A 10 -6.233 0.248 2.897 1.00 0.00 C ATOM 173 OH TYR A 10 -7.504 0.713 2.648 1.00 0.00 O ATOM 0 H TYR A 10 -0.020 -1.656 4.573 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.406 -0.828 5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.548 -0.429 3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.069 -2.058 3.025 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.609 -2.587 3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.050 1.324 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.879 -1.758 3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.318 2.155 2.593 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.540 1.676 2.824 1.00 0.00 H new ATOM 183 N ALA A 11 -2.177 -4.040 5.228 1.00 0.00 N ATOM 184 CA ALA A 11 -2.811 -5.328 5.481 1.00 0.00 C ATOM 185 C ALA A 11 -2.935 -5.595 6.977 1.00 0.00 C ATOM 186 O ALA A 11 -3.985 -6.021 7.457 1.00 0.00 O ATOM 187 CB ALA A 11 -2.026 -6.443 4.807 1.00 0.00 C ATOM 0 H ALA A 11 -1.217 -4.101 4.888 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.816 -5.300 5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.510 -7.399 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.994 -6.267 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.010 -6.463 5.202 1.00 0.00 H new ATOM 193 N MET A 12 -1.856 -5.347 7.710 1.00 0.00 N ATOM 194 CA MET A 12 -1.842 -5.563 9.148 1.00 0.00 C ATOM 195 C MET A 12 -2.563 -4.437 9.885 1.00 0.00 C ATOM 196 O MET A 12 -3.067 -4.626 10.992 1.00 0.00 O ATOM 197 CB MET A 12 -0.403 -5.678 9.650 1.00 0.00 C ATOM 198 CG MET A 12 0.009 -7.098 10.001 1.00 0.00 C ATOM 199 SD MET A 12 1.186 -7.795 8.824 1.00 0.00 S ATOM 200 CE MET A 12 0.439 -9.390 8.500 1.00 0.00 C ATOM 0 H MET A 12 -0.978 -4.995 7.329 1.00 0.00 H new ATOM 0 HA MET A 12 -2.370 -6.494 9.352 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.271 -5.292 8.886 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.283 -5.046 10.530 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.450 -7.108 10.998 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.878 -7.730 10.039 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.053 -9.941 7.788 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.368 -9.954 9.430 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.559 -9.247 8.085 1.00 0.00 H new ATOM 210 N ARG A 13 -2.598 -3.267 9.264 1.00 0.00 N ATOM 211 CA ARG A 13 -3.246 -2.102 9.859 1.00 0.00 C ATOM 212 C ARG A 13 -4.745 -2.091 9.577 1.00 0.00 C ATOM 213 O ARG A 13 -5.558 -2.283 10.482 1.00 0.00 O ATOM 214 CB ARG A 13 -2.606 -0.816 9.331 1.00 0.00 C ATOM 215 CG ARG A 13 -2.953 0.417 10.152 1.00 0.00 C ATOM 216 CD ARG A 13 -1.764 0.907 10.965 1.00 0.00 C ATOM 217 NE ARG A 13 -1.977 0.743 12.401 1.00 0.00 N ATOM 218 CZ ARG A 13 -2.707 1.574 13.141 1.00 0.00 C ATOM 219 NH1 ARG A 13 -3.297 2.624 12.586 1.00 0.00 N ATOM 220 NH2 ARG A 13 -2.848 1.353 14.441 1.00 0.00 N ATOM 0 H ARG A 13 -2.185 -3.097 8.347 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.107 -2.159 10.939 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.523 -0.939 9.315 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.924 -0.658 8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.292 1.212 9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.781 0.186 10.822 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.870 0.359 10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.582 1.959 10.743 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.541 -0.055 12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.193 2.798 11.586 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.855 3.257 13.159 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.397 0.547 14.873 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.407 1.990 15.009 1.00 0.00 H new ATOM 234 N PHE A 14 -5.107 -1.849 8.321 1.00 0.00 N ATOM 235 CA PHE A 14 -6.496 -1.790 7.916 1.00 0.00 C ATOM 236 C PHE A 14 -7.079 -3.183 7.694 1.00 0.00 C ATOM 237 O PHE A 14 -8.216 -3.456 8.076 1.00 0.00 O ATOM 238 CB PHE A 14 -6.596 -0.965 6.642 1.00 0.00 C ATOM 239 CG PHE A 14 -6.116 0.444 6.822 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.967 1.423 7.297 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.808 0.788 6.530 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.528 2.711 7.471 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.366 2.073 6.703 1.00 0.00 C ATOM 244 CZ PHE A 14 -5.227 3.033 7.173 1.00 0.00 C ATOM 0 H PHE A 14 -4.444 -1.690 7.562 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.076 -1.324 8.713 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.012 -1.445 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.632 -0.950 6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.990 1.171 7.534 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.128 0.035 6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.203 3.469 7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.343 2.330 6.470 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.879 4.046 7.309 1.00 0.00 H new ATOM 254 N GLY A 15 -6.297 -4.058 7.072 1.00 0.00 N ATOM 255 CA GLY A 15 -6.761 -5.409 6.809 1.00 0.00 C ATOM 256 C GLY A 15 -6.684 -5.771 5.339 1.00 0.00 C ATOM 257 O GLY A 15 -6.973 -4.945 4.474 1.00 0.00 O ATOM 0 H GLY A 15 -5.352 -3.857 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.163 -6.114 7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.791 -5.510 7.152 1.00 0.00 H new ATOM 261 N GLN A 16 -6.293 -7.009 5.056 1.00 0.00 N ATOM 262 CA GLN A 16 -6.180 -7.478 3.679 1.00 0.00 C ATOM 263 C GLN A 16 -7.519 -7.374 2.955 1.00 0.00 C ATOM 264 O GLN A 16 -7.566 -7.172 1.741 1.00 0.00 O ATOM 265 CB GLN A 16 -5.685 -8.926 3.652 1.00 0.00 C ATOM 266 CG GLN A 16 -4.236 -9.081 4.089 1.00 0.00 C ATOM 267 CD GLN A 16 -4.065 -10.119 5.182 1.00 0.00 C ATOM 268 OE1 GLN A 16 -3.814 -11.291 4.907 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.200 -9.690 6.432 1.00 0.00 N ATOM 0 H GLN A 16 -6.049 -7.705 5.761 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.459 -6.843 3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.319 -9.530 4.301 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.796 -9.321 2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.629 -9.361 3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.862 -8.120 4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.408 -8.708 6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.095 -10.342 7.209 1.00 0.00 H new ATOM 278 N THR A 17 -8.607 -7.512 3.707 1.00 0.00 N ATOM 279 CA THR A 17 -9.947 -7.433 3.135 1.00 0.00 C ATOM 280 C THR A 17 -10.230 -6.034 2.599 1.00 0.00 C ATOM 281 O THR A 17 -10.670 -5.873 1.461 1.00 0.00 O ATOM 282 CB THR A 17 -10.990 -7.811 4.185 1.00 0.00 C ATOM 283 OG1 THR A 17 -10.730 -9.102 4.707 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.410 -7.804 3.648 1.00 0.00 C ATOM 0 H THR A 17 -8.587 -7.679 4.713 1.00 0.00 H new ATOM 0 HA THR A 17 -10.004 -8.136 2.304 1.00 0.00 H new ATOM 0 HB THR A 17 -10.910 -7.050 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.407 -9.326 5.379 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.101 -8.081 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.656 -6.807 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.493 -8.519 2.830 1.00 0.00 H new ATOM 292 N LYS A 18 -9.979 -5.024 3.426 1.00 0.00 N ATOM 293 CA LYS A 18 -10.200 -3.639 3.034 1.00 0.00 C ATOM 294 C LYS A 18 -9.284 -3.232 1.892 1.00 0.00 C ATOM 295 O LYS A 18 -9.667 -2.460 1.013 1.00 0.00 O ATOM 296 CB LYS A 18 -10.000 -2.707 4.230 1.00 0.00 C ATOM 297 CG LYS A 18 -10.760 -1.395 4.116 1.00 0.00 C ATOM 298 CD LYS A 18 -10.450 -0.463 5.275 1.00 0.00 C ATOM 299 CE LYS A 18 -10.280 0.976 4.809 1.00 0.00 C ATOM 300 NZ LYS A 18 -11.160 1.908 5.570 1.00 0.00 N ATOM 0 H LYS A 18 -9.621 -5.141 4.374 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.229 -3.553 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.316 -3.222 5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.937 -2.493 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.502 -0.906 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.831 -1.596 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.254 -0.515 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.540 -0.794 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.239 1.277 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.510 1.044 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.017 2.879 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.154 1.635 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.923 1.861 6.582 1.00 0.00 H new ATOM 314 N THR A 19 -8.063 -3.757 1.911 1.00 0.00 N ATOM 315 CA THR A 19 -7.081 -3.449 0.877 1.00 0.00 C ATOM 316 C THR A 19 -7.602 -3.841 -0.502 1.00 0.00 C ATOM 317 O THR A 19 -7.575 -3.042 -1.438 1.00 0.00 O ATOM 318 CB THR A 19 -5.764 -4.172 1.161 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.533 -4.265 2.555 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.562 -3.494 0.541 1.00 0.00 C ATOM 0 H THR A 19 -7.730 -4.398 2.631 1.00 0.00 H new ATOM 0 HA THR A 19 -6.906 -2.373 0.888 1.00 0.00 H new ATOM 0 HB THR A 19 -5.875 -5.159 0.712 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.173 -4.893 2.951 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.661 -4.059 0.782 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.686 -3.452 -0.541 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.472 -2.482 0.935 1.00 0.00 H new ATOM 328 N ALA A 20 -8.074 -5.077 -0.619 1.00 0.00 N ATOM 329 CA ALA A 20 -8.600 -5.578 -1.884 1.00 0.00 C ATOM 330 C ALA A 20 -9.836 -4.796 -2.315 1.00 0.00 C ATOM 331 O ALA A 20 -10.070 -4.595 -3.506 1.00 0.00 O ATOM 332 CB ALA A 20 -8.923 -7.061 -1.766 1.00 0.00 C ATOM 0 H ALA A 20 -8.103 -5.751 0.146 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.835 -5.442 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.315 -7.425 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.017 -7.612 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.669 -7.210 -0.985 1.00 0.00 H new ATOM 338 N LYS A 21 -10.620 -4.356 -1.339 1.00 0.00 N ATOM 339 CA LYS A 21 -11.830 -3.596 -1.621 1.00 0.00 C ATOM 340 C LYS A 21 -11.500 -2.153 -1.984 1.00 0.00 C ATOM 341 O LYS A 21 -12.110 -1.570 -2.879 1.00 0.00 O ATOM 342 CB LYS A 21 -12.770 -3.625 -0.416 1.00 0.00 C ATOM 343 CG LYS A 21 -14.240 -3.549 -0.789 1.00 0.00 C ATOM 344 CD LYS A 21 -14.700 -2.109 -0.949 1.00 0.00 C ATOM 345 CE LYS A 21 -15.910 -2.010 -1.860 1.00 0.00 C ATOM 346 NZ LYS A 21 -16.680 -0.749 -1.636 1.00 0.00 N ATOM 0 H LYS A 21 -10.440 -4.512 -0.347 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.325 -4.061 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.594 -4.540 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.528 -2.792 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.409 -4.092 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.837 -4.040 -0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.944 -1.693 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.886 -1.509 -1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.585 -2.056 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.562 -2.867 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.497 -0.723 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.013 -0.716 -0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.067 0.070 -1.822 1.00 0.00 H new ATOM 360 N ASP A 22 -10.530 -1.581 -1.282 1.00 0.00 N ATOM 361 CA ASP A 22 -10.110 -0.205 -1.528 1.00 0.00 C ATOM 362 C ASP A 22 -9.342 -0.098 -2.839 1.00 0.00 C ATOM 363 O ASP A 22 -9.492 0.874 -3.582 1.00 0.00 O ATOM 364 CB ASP A 22 -9.259 0.304 -0.368 1.00 0.00 C ATOM 365 CG ASP A 22 -10.040 1.169 0.597 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.290 1.205 0.487 1.00 0.00 O ATOM 367 OD2 ASP A 22 -9.418 1.814 1.463 1.00 0.00 O ATOM 0 H ASP A 22 -10.017 -2.049 -0.535 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.002 0.416 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.841 -0.547 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.419 0.875 -0.763 1.00 0.00 H new ATOM 372 N LEU A 23 -8.516 -1.100 -3.116 1.00 0.00 N ATOM 373 CA LEU A 23 -7.718 -1.117 -4.337 1.00 0.00 C ATOM 374 C LEU A 23 -8.552 -1.577 -5.528 1.00 0.00 C ATOM 375 O LEU A 23 -8.284 -1.200 -6.669 1.00 0.00 O ATOM 376 CB LEU A 23 -6.505 -2.033 -4.166 1.00 0.00 C ATOM 377 CG LEU A 23 -5.270 -1.365 -3.558 1.00 0.00 C ATOM 378 CD1 LEU A 23 -5.185 -1.657 -2.069 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.007 -1.832 -4.266 1.00 0.00 C ATOM 0 H LEU A 23 -8.381 -1.911 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.374 -0.101 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.791 -2.875 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.236 -2.440 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.361 -0.287 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.301 -1.174 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.076 -1.273 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.118 -2.734 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.139 -1.346 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.911 -2.913 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.065 -1.572 -5.323 1.00 0.00 H new ATOM 391 N GLY A 24 -9.566 -2.394 -5.256 1.00 0.00 N ATOM 392 CA GLY A 24 -10.420 -2.891 -6.317 1.00 0.00 C ATOM 393 C GLY A 24 -9.965 -4.236 -6.845 1.00 0.00 C ATOM 394 O GLY A 24 -10.210 -4.573 -8.003 1.00 0.00 O ATOM 0 H GLY A 24 -9.810 -2.719 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.442 -2.976 -5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.436 -2.170 -7.134 1.00 0.00 H new ATOM 398 N VAL A 25 -9.296 -5.007 -5.993 1.00 0.00 N ATOM 399 CA VAL A 25 -8.802 -6.323 -6.379 1.00 0.00 C ATOM 400 C VAL A 25 -9.299 -7.397 -5.418 1.00 0.00 C ATOM 401 O VAL A 25 -10.040 -7.108 -4.481 1.00 0.00 O ATOM 402 CB VAL A 25 -7.263 -6.355 -6.415 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.741 -5.600 -7.627 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.687 -5.779 -5.130 1.00 0.00 C ATOM 0 H VAL A 25 -9.084 -4.742 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.186 -6.527 -7.379 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.941 -7.393 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.652 -5.634 -7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.125 -6.062 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.072 -4.562 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.598 -5.810 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.016 -4.746 -5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.033 -6.368 -4.280 1.00 0.00 H new ATOM 414 N GLN A 26 -8.883 -8.637 -5.655 1.00 0.00 N ATOM 415 CA GLN A 26 -9.284 -9.752 -4.810 1.00 0.00 C ATOM 416 C GLN A 26 -8.244 -10.007 -3.726 1.00 0.00 C ATOM 417 O GLN A 26 -7.046 -9.832 -3.947 1.00 0.00 O ATOM 418 CB GLN A 26 -9.482 -11.013 -5.653 1.00 0.00 C ATOM 419 CG GLN A 26 -8.246 -11.418 -6.439 1.00 0.00 C ATOM 420 CD GLN A 26 -8.363 -11.094 -7.916 1.00 0.00 C ATOM 421 OE1 GLN A 26 -8.953 -10.084 -8.297 1.00 0.00 O ATOM 422 NE2 GLN A 26 -7.799 -11.954 -8.757 1.00 0.00 N ATOM 0 H GLN A 26 -8.267 -8.893 -6.427 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.229 -9.495 -4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.773 -11.835 -4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.307 -10.851 -6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.375 -10.909 -6.027 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.077 -12.488 -6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.319 -12.779 -8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.845 -11.789 -9.762 1.00 0.00 H new ATOM 431 N GLN A 27 -8.713 -10.423 -2.558 1.00 0.00 N ATOM 432 CA GLN A 27 -7.828 -10.707 -1.433 1.00 0.00 C ATOM 433 C GLN A 27 -6.763 -11.730 -1.814 1.00 0.00 C ATOM 434 O GLN A 27 -5.699 -11.794 -1.197 1.00 0.00 O ATOM 435 CB GLN A 27 -8.635 -11.212 -0.236 1.00 0.00 C ATOM 436 CG GLN A 27 -9.355 -10.109 0.523 1.00 0.00 C ATOM 437 CD GLN A 27 -10.850 -10.114 0.278 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.450 -11.161 0.036 1.00 0.00 O ATOM 439 NE2 GLN A 27 -11.460 -8.936 0.339 1.00 0.00 N ATOM 0 H GLN A 27 -9.703 -10.572 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.326 -9.779 -1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.368 -11.940 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.966 -11.735 0.448 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.165 -10.224 1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.945 -9.143 0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.923 -8.093 0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.466 -8.874 0.182 1.00 0.00 H new ATOM 448 N SER A 28 -7.057 -12.529 -2.833 1.00 0.00 N ATOM 449 CA SER A 28 -6.126 -13.548 -3.299 1.00 0.00 C ATOM 450 C SER A 28 -4.832 -12.916 -3.805 1.00 0.00 C ATOM 451 O SER A 28 -3.737 -13.337 -3.432 1.00 0.00 O ATOM 452 CB SER A 28 -6.765 -14.385 -4.409 1.00 0.00 C ATOM 453 OG SER A 28 -7.402 -15.536 -3.881 1.00 0.00 O ATOM 0 H SER A 28 -7.934 -12.490 -3.352 1.00 0.00 H new ATOM 0 HA SER A 28 -5.887 -14.196 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.492 -13.780 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.002 -14.686 -5.127 1.00 0.00 H new ATOM 0 HG SER A 28 -7.803 -16.052 -4.611 1.00 0.00 H new ATOM 459 N ALA A 29 -4.969 -11.902 -4.654 1.00 0.00 N ATOM 460 CA ALA A 29 -3.812 -11.212 -5.209 1.00 0.00 C ATOM 461 C ALA A 29 -3.000 -10.531 -4.114 1.00 0.00 C ATOM 462 O ALA A 29 -1.768 -10.575 -4.122 1.00 0.00 O ATOM 463 CB ALA A 29 -4.254 -10.193 -6.250 1.00 0.00 C ATOM 0 H ALA A 29 -5.869 -11.541 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.175 -11.955 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.379 -9.685 -6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.785 -10.702 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.915 -9.462 -5.785 1.00 0.00 H new ATOM 469 N ILE A 30 -3.694 -9.906 -3.169 1.00 0.00 N ATOM 470 CA ILE A 30 -3.033 -9.221 -2.065 1.00 0.00 C ATOM 471 C ILE A 30 -2.181 -10.194 -1.259 1.00 0.00 C ATOM 472 O ILE A 30 -1.029 -9.906 -0.936 1.00 0.00 O ATOM 473 CB ILE A 30 -4.052 -8.545 -1.125 1.00 0.00 C ATOM 474 CG1 ILE A 30 -5.042 -7.698 -1.926 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.332 -7.692 -0.091 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.379 -6.666 -2.814 1.00 0.00 C ATOM 0 H ILE A 30 -4.713 -9.860 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.396 -8.452 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.611 -9.322 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.654 -8.356 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.716 -7.191 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.064 -7.221 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.666 -8.321 0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.749 -6.922 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.143 -6.103 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.789 -5.984 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.727 -7.167 -3.530 1.00 0.00 H new ATOM 488 N ASN A 31 -2.757 -11.347 -0.940 1.00 0.00 N ATOM 489 CA ASN A 31 -2.051 -12.365 -0.177 1.00 0.00 C ATOM 490 C ASN A 31 -0.841 -12.876 -0.950 1.00 0.00 C ATOM 491 O ASN A 31 0.207 -13.154 -0.369 1.00 0.00 O ATOM 492 CB ASN A 31 -2.988 -13.529 0.155 1.00 0.00 C ATOM 493 CG ASN A 31 -2.553 -14.286 1.394 1.00 0.00 C ATOM 494 OD1 ASN A 31 -3.131 -14.126 2.470 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.528 -15.119 1.248 1.00 0.00 N ATOM 0 H ASN A 31 -3.711 -11.599 -1.199 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.705 -11.913 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.999 -13.148 0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.026 -14.214 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.190 -15.657 2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.079 -15.220 0.338 1.00 0.00 H new ATOM 502 N LYS A 32 -0.996 -12.999 -2.266 1.00 0.00 N ATOM 503 CA LYS A 32 0.082 -13.477 -3.121 1.00 0.00 C ATOM 504 C LYS A 32 1.196 -12.444 -3.232 1.00 0.00 C ATOM 505 O LYS A 32 2.359 -12.790 -3.444 1.00 0.00 O ATOM 506 CB LYS A 32 -0.452 -13.813 -4.514 1.00 0.00 C ATOM 507 CG LYS A 32 -1.583 -14.831 -4.503 1.00 0.00 C ATOM 508 CD LYS A 32 -1.178 -16.126 -5.190 1.00 0.00 C ATOM 509 CE LYS A 32 -2.339 -17.105 -5.264 1.00 0.00 C ATOM 510 NZ LYS A 32 -2.998 -17.085 -6.598 1.00 0.00 N ATOM 0 H LYS A 32 -1.859 -12.774 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 32 0.492 -14.379 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.803 -12.897 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.365 -14.197 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.875 -15.040 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.456 -14.411 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.820 -15.909 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.350 -16.583 -4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.979 -18.112 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.070 -16.859 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.784 -17.766 -6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.364 -16.131 -6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.307 -17.344 -7.331 1.00 0.00 H new ATOM 524 N TRP A 33 0.831 -11.179 -3.094 1.00 0.00 N ATOM 525 CA TRP A 33 1.783 -10.094 -3.182 1.00 0.00 C ATOM 526 C TRP A 33 2.747 -10.105 -2.000 1.00 0.00 C ATOM 527 O TRP A 33 3.953 -9.934 -2.167 1.00 0.00 O ATOM 528 CB TRP A 33 1.011 -8.786 -3.229 1.00 0.00 C ATOM 529 CG TRP A 33 0.338 -8.550 -4.534 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.540 -9.247 -5.673 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.656 -7.573 -4.825 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.253 -8.750 -6.680 1.00 0.00 N ATOM 533 CE2 TRP A 33 -0.999 -7.717 -6.180 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.279 -6.585 -4.070 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -1.945 -6.907 -6.797 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.223 -5.777 -4.681 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.547 -5.942 -6.035 1.00 0.00 C ATOM 0 H TRP A 33 -0.129 -10.881 -2.919 1.00 0.00 H new ATOM 0 HA TRP A 33 2.382 -10.210 -4.085 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.263 -8.784 -2.436 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.694 -7.961 -3.025 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.225 -10.075 -5.778 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.281 -9.094 -7.640 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.031 -6.451 -3.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.196 -7.034 -7.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.717 -5.008 -4.106 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.286 -5.296 -6.486 1.00 0.00 H new ATOM 548 N ILE A 34 2.203 -10.309 -0.805 1.00 0.00 N ATOM 549 CA ILE A 34 3.011 -10.346 0.408 1.00 0.00 C ATOM 550 C ILE A 34 3.657 -11.716 0.602 1.00 0.00 C ATOM 551 O ILE A 34 4.678 -11.840 1.277 1.00 0.00 O ATOM 552 CB ILE A 34 2.171 -10.006 1.654 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.355 -8.734 1.415 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.069 -9.847 2.871 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.218 -8.552 2.397 1.00 0.00 C ATOM 0 H ILE A 34 1.205 -10.451 -0.651 1.00 0.00 H new ATOM 0 HA ILE A 34 3.792 -9.595 0.288 1.00 0.00 H new ATOM 0 HB ILE A 34 1.479 -10.827 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.017 -7.870 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.950 -8.756 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.461 -9.607 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.608 -10.777 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.783 -9.042 2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.317 -7.630 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.466 -9.397 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.617 -8.497 3.410 1.00 0.00 H new ATOM 567 N HIS A 35 3.055 -12.741 0.006 1.00 0.00 N ATOM 568 CA HIS A 35 3.571 -14.102 0.115 1.00 0.00 C ATOM 569 C HIS A 35 5.004 -14.183 -0.393 1.00 0.00 C ATOM 570 O HIS A 35 5.815 -14.957 0.116 1.00 0.00 O ATOM 571 CB HIS A 35 2.687 -15.069 -0.676 1.00 0.00 C ATOM 572 CG HIS A 35 2.274 -16.281 0.099 1.00 0.00 C ATOM 573 ND1 HIS A 35 2.893 -16.684 1.265 1.00 0.00 N ATOM 574 CD2 HIS A 35 1.293 -17.185 -0.134 1.00 0.00 C ATOM 575 CE1 HIS A 35 2.311 -17.781 1.713 1.00 0.00 C ATOM 576 NE2 HIS A 35 1.337 -18.105 0.884 1.00 0.00 N ATOM 0 H HIS A 35 2.209 -12.655 -0.558 1.00 0.00 H new ATOM 0 HA HIS A 35 3.560 -14.384 1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.794 -14.540 -1.009 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.222 -15.386 -1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.604 -17.183 -0.966 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.586 -18.322 2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.717 -18.909 0.983 1.00 0.00 H new ATOM 585 N ALA A 36 5.300 -13.381 -1.401 1.00 0.00 N ATOM 586 CA ALA A 36 6.630 -13.354 -1.995 1.00 0.00 C ATOM 587 C ALA A 36 7.351 -12.038 -1.705 1.00 0.00 C ATOM 588 O ALA A 36 8.430 -11.783 -2.243 1.00 0.00 O ATOM 589 CB ALA A 36 6.532 -13.583 -3.495 1.00 0.00 C ATOM 0 H ALA A 36 4.635 -12.736 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 36 7.216 -14.155 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.530 -13.561 -3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.073 -14.553 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.922 -12.799 -3.944 1.00 0.00 H new ATOM 595 N GLY A 37 6.756 -11.207 -0.854 1.00 0.00 N ATOM 596 CA GLY A 37 7.365 -9.935 -0.514 1.00 0.00 C ATOM 597 C GLY A 37 7.470 -9.003 -1.705 1.00 0.00 C ATOM 598 O GLY A 37 8.548 -8.491 -2.006 1.00 0.00 O ATOM 0 H GLY A 37 5.864 -11.392 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.779 -9.454 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.360 -10.110 -0.105 1.00 0.00 H new ATOM 602 N ARG A 38 6.349 -8.785 -2.384 1.00 0.00 N ATOM 603 CA ARG A 38 6.322 -7.908 -3.549 1.00 0.00 C ATOM 604 C ARG A 38 6.308 -6.442 -3.127 1.00 0.00 C ATOM 605 O ARG A 38 5.331 -5.960 -2.554 1.00 0.00 O ATOM 606 CB ARG A 38 5.098 -8.213 -4.414 1.00 0.00 C ATOM 607 CG ARG A 38 5.249 -7.771 -5.861 1.00 0.00 C ATOM 608 CD ARG A 38 4.005 -8.093 -6.675 1.00 0.00 C ATOM 609 NE ARG A 38 3.922 -7.286 -7.889 1.00 0.00 N ATOM 610 CZ ARG A 38 2.937 -7.385 -8.779 1.00 0.00 C ATOM 611 NH1 ARG A 38 1.952 -8.256 -8.595 1.00 0.00 N ATOM 612 NH2 ARG A 38 2.937 -6.613 -9.857 1.00 0.00 N ATOM 0 H ARG A 38 5.449 -9.203 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 38 7.225 -8.091 -4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.904 -9.285 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.227 -7.721 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.441 -6.699 -5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.113 -8.265 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.010 -9.150 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.118 -7.922 -6.065 1.00 0.00 H new ATOM 0 HE ARG A 38 4.662 -6.607 -8.065 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.947 -8.854 -7.768 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.200 -8.328 -9.280 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.692 -5.943 -10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.182 -6.689 -10.539 1.00 0.00 H new ATOM 626 N LYS A 39 7.400 -5.739 -3.409 1.00 0.00 N ATOM 627 CA LYS A 39 7.514 -4.328 -3.056 1.00 0.00 C ATOM 628 C LYS A 39 6.411 -3.509 -3.719 1.00 0.00 C ATOM 629 O LYS A 39 6.358 -3.393 -4.944 1.00 0.00 O ATOM 630 CB LYS A 39 8.884 -3.788 -3.469 1.00 0.00 C ATOM 631 CG LYS A 39 10.027 -4.312 -2.615 1.00 0.00 C ATOM 632 CD LYS A 39 9.992 -3.722 -1.214 1.00 0.00 C ATOM 633 CE LYS A 39 10.675 -2.364 -1.165 1.00 0.00 C ATOM 634 NZ LYS A 39 9.980 -1.426 -0.240 1.00 0.00 N ATOM 0 H LYS A 39 8.219 -6.123 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 39 7.406 -4.240 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.070 -4.050 -4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.868 -2.700 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.969 -5.399 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.978 -4.069 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.957 -3.622 -0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.483 -4.403 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.710 -2.489 -0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.701 -1.934 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.657 -0.719 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.209 -0.946 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.588 -1.957 0.563 1.00 0.00 H new ATOM 648 N ILE A 40 5.531 -2.942 -2.900 1.00 0.00 N ATOM 649 CA ILE A 40 4.430 -2.131 -3.403 1.00 0.00 C ATOM 650 C ILE A 40 4.028 -1.064 -2.390 1.00 0.00 C ATOM 651 O ILE A 40 4.300 -1.193 -1.197 1.00 0.00 O ATOM 652 CB ILE A 40 3.199 -2.999 -3.737 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.580 -4.106 -4.720 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.077 -2.139 -4.303 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.408 -4.962 -5.152 1.00 0.00 C ATOM 0 H ILE A 40 5.560 -3.030 -1.884 1.00 0.00 H new ATOM 0 HA ILE A 40 4.782 -1.648 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 40 2.842 -3.463 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.035 -3.656 -5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.336 -4.744 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.217 -2.768 -4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.790 -1.386 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.420 -1.646 -5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.753 -5.726 -5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.966 -5.441 -4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.661 -4.336 -5.640 1.00 0.00 H new ATOM 667 N PHE A 41 3.377 -0.011 -2.875 1.00 0.00 N ATOM 668 CA PHE A 41 2.936 1.079 -2.010 1.00 0.00 C ATOM 669 C PHE A 41 1.600 1.640 -2.483 1.00 0.00 C ATOM 670 O PHE A 41 1.440 1.982 -3.655 1.00 0.00 O ATOM 671 CB PHE A 41 3.983 2.194 -1.976 1.00 0.00 C ATOM 672 CG PHE A 41 5.283 1.784 -1.345 1.00 0.00 C ATOM 673 CD1 PHE A 41 6.173 0.971 -2.029 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.616 2.212 -0.070 1.00 0.00 C ATOM 675 CE1 PHE A 41 7.370 0.592 -1.452 1.00 0.00 C ATOM 676 CE2 PHE A 41 6.812 1.837 0.512 1.00 0.00 C ATOM 677 CZ PHE A 41 7.691 1.025 -0.180 1.00 0.00 C ATOM 0 H PHE A 41 3.143 0.111 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 41 2.810 0.679 -1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.174 2.531 -2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.577 3.045 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.928 0.630 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.933 2.846 0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.054 -0.043 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.060 2.178 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.626 0.730 0.273 1.00 0.00 H new ATOM 687 N LEU A 42 0.643 1.738 -1.565 1.00 0.00 N ATOM 688 CA LEU A 42 -0.674 2.264 -1.892 1.00 0.00 C ATOM 689 C LEU A 42 -0.800 3.722 -1.469 1.00 0.00 C ATOM 690 O LEU A 42 -0.091 4.185 -0.577 1.00 0.00 O ATOM 691 CB LEU A 42 -1.779 1.431 -1.229 1.00 0.00 C ATOM 692 CG LEU A 42 -1.385 0.676 0.047 1.00 0.00 C ATOM 693 CD1 LEU A 42 -0.444 -0.479 -0.269 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.771 1.620 1.075 1.00 0.00 C ATOM 0 H LEU A 42 0.757 1.460 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.792 2.203 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.612 2.093 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.145 0.707 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.293 0.257 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.181 -0.997 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.937 -1.175 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.461 -0.093 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.501 1.058 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.121 2.085 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.494 2.393 1.336 1.00 0.00 H new ATOM 706 N THR A 43 -1.714 4.439 -2.112 1.00 0.00 N ATOM 707 CA THR A 43 -1.941 5.845 -1.802 1.00 0.00 C ATOM 708 C THR A 43 -3.367 6.062 -1.309 1.00 0.00 C ATOM 709 O THR A 43 -4.314 6.056 -2.096 1.00 0.00 O ATOM 710 CB THR A 43 -1.674 6.713 -3.032 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.543 6.240 -3.742 1.00 0.00 O ATOM 712 CG2 THR A 43 -1.431 8.168 -2.696 1.00 0.00 C ATOM 0 H THR A 43 -2.311 4.069 -2.852 1.00 0.00 H new ATOM 0 HA THR A 43 -1.250 6.136 -1.010 1.00 0.00 H new ATOM 0 HB THR A 43 -2.578 6.644 -3.637 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.566 6.583 -4.660 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.248 8.728 -3.613 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.306 8.576 -2.190 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.563 8.250 -2.042 1.00 0.00 H new ATOM 720 N ILE A 44 -3.513 6.248 -0.001 1.00 0.00 N ATOM 721 CA ILE A 44 -4.824 6.461 0.599 1.00 0.00 C ATOM 722 C ILE A 44 -5.251 7.921 0.485 1.00 0.00 C ATOM 723 O ILE A 44 -4.640 8.807 1.082 1.00 0.00 O ATOM 724 CB ILE A 44 -4.837 6.051 2.084 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.229 4.659 2.256 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.257 6.087 2.629 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.034 4.259 3.703 1.00 0.00 C ATOM 0 H ILE A 44 -2.739 6.255 0.663 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.527 5.834 0.050 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.233 6.762 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.873 3.927 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.267 4.626 1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.251 5.795 3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.657 7.097 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.881 5.395 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.599 3.261 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.365 4.969 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.997 4.259 4.213 1.00 0.00 H new ATOM 739 N ASN A 45 -6.306 8.163 -0.286 1.00 0.00 N ATOM 740 CA ASN A 45 -6.818 9.515 -0.477 1.00 0.00 C ATOM 741 C ASN A 45 -7.739 9.914 0.672 1.00 0.00 C ATOM 742 O ASN A 45 -8.048 9.102 1.544 1.00 0.00 O ATOM 743 CB ASN A 45 -7.568 9.614 -1.806 1.00 0.00 C ATOM 744 CG ASN A 45 -6.733 9.137 -2.979 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.524 8.939 -2.854 1.00 0.00 O ATOM 746 ND2 ASN A 45 -7.375 8.952 -4.126 1.00 0.00 N ATOM 0 H ASN A 45 -6.823 7.441 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.971 10.200 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.481 9.022 -1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.868 10.648 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.865 8.633 -4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.378 9.129 -4.183 1.00 0.00 H new ATOM 753 N ALA A 46 -8.174 11.171 0.667 1.00 0.00 N ATOM 754 CA ALA A 46 -9.061 11.676 1.711 1.00 0.00 C ATOM 755 C ALA A 46 -10.520 11.349 1.412 1.00 0.00 C ATOM 756 O ALA A 46 -11.420 11.749 2.154 1.00 0.00 O ATOM 757 CB ALA A 46 -8.879 13.179 1.869 1.00 0.00 C ATOM 0 H ALA A 46 -7.928 11.857 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.795 11.182 2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.545 13.546 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.846 13.394 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.116 13.675 0.928 1.00 0.00 H new ATOM 763 N ASP A 47 -10.750 10.620 0.324 1.00 0.00 N ATOM 764 CA ASP A 47 -12.110 10.242 -0.068 1.00 0.00 C ATOM 765 C ASP A 47 -12.350 8.753 0.165 1.00 0.00 C ATOM 766 O ASP A 47 -13.490 8.301 0.216 1.00 0.00 O ATOM 767 CB ASP A 47 -12.350 10.579 -1.543 1.00 0.00 C ATOM 768 CG ASP A 47 -11.070 10.737 -2.345 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.510 9.709 -2.768 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.640 11.891 -2.547 1.00 0.00 O ATOM 0 H ASP A 47 -10.019 10.279 -0.301 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.808 10.808 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.956 9.793 -1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.926 11.502 -1.607 1.00 0.00 H new ATOM 775 N GLY A 48 -11.270 7.996 0.300 1.00 0.00 N ATOM 776 CA GLY A 48 -11.380 6.566 0.515 1.00 0.00 C ATOM 777 C GLY A 48 -10.820 5.762 -0.644 1.00 0.00 C ATOM 778 O GLY A 48 -11.020 4.550 -0.718 1.00 0.00 O ATOM 0 H GLY A 48 -10.314 8.349 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.851 6.297 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.427 6.303 0.664 1.00 0.00 H new ATOM 782 N SER A 49 -10.120 6.440 -1.549 1.00 0.00 N ATOM 783 CA SER A 49 -9.531 5.780 -2.705 1.00 0.00 C ATOM 784 C SER A 49 -8.089 5.381 -2.418 1.00 0.00 C ATOM 785 O SER A 49 -7.251 6.224 -2.099 1.00 0.00 O ATOM 786 CB SER A 49 -9.591 6.693 -3.926 1.00 0.00 C ATOM 787 OG SER A 49 -10.380 6.121 -4.953 1.00 0.00 O ATOM 0 H SER A 49 -9.948 7.444 -1.503 1.00 0.00 H new ATOM 0 HA SER A 49 -10.105 4.877 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.006 7.660 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.583 6.876 -4.297 1.00 0.00 H new ATOM 0 HG SER A 49 -10.404 6.727 -5.723 1.00 0.00 H new ATOM 793 N VAL A 50 -7.809 4.088 -2.530 1.00 0.00 N ATOM 794 CA VAL A 50 -6.469 3.572 -2.277 1.00 0.00 C ATOM 795 C VAL A 50 -5.924 2.848 -3.503 1.00 0.00 C ATOM 796 O VAL A 50 -6.315 1.716 -3.791 1.00 0.00 O ATOM 797 CB VAL A 50 -6.450 2.607 -1.075 1.00 0.00 C ATOM 798 CG1 VAL A 50 -5.052 2.524 -0.484 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.455 3.038 -0.016 1.00 0.00 C ATOM 0 H VAL A 50 -8.492 3.378 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.838 4.431 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.737 1.616 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.055 1.839 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.358 2.161 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.739 3.513 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.422 2.341 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.207 4.039 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.457 3.042 -0.445 1.00 0.00 H new ATOM 809 N TYR A 51 -5.022 3.506 -4.224 1.00 0.00 N ATOM 810 CA TYR A 51 -4.427 2.918 -5.418 1.00 0.00 C ATOM 811 C TYR A 51 -2.990 2.480 -5.155 1.00 0.00 C ATOM 812 O TYR A 51 -2.253 3.142 -4.425 1.00 0.00 O ATOM 813 CB TYR A 51 -4.471 3.913 -6.582 1.00 0.00 C ATOM 814 CG TYR A 51 -3.583 5.123 -6.388 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.205 5.024 -6.519 1.00 0.00 C ATOM 816 CD2 TYR A 51 -4.125 6.364 -6.076 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.390 6.127 -6.344 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.318 7.471 -5.900 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.951 7.348 -6.035 1.00 0.00 C ATOM 820 OH TYR A 51 -1.144 8.448 -5.861 1.00 0.00 O ATOM 0 H TYR A 51 -4.688 4.444 -4.003 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.009 2.036 -5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.175 3.400 -7.497 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.499 4.248 -6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.762 4.069 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.195 6.465 -5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.319 6.033 -6.449 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.755 8.428 -5.658 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.692 9.218 -5.602 1.00 0.00 H new ATOM 830 N ALA A 52 -2.602 1.359 -5.753 1.00 0.00 N ATOM 831 CA ALA A 52 -1.254 0.828 -5.582 1.00 0.00 C ATOM 832 C ALA A 52 -0.332 1.291 -6.705 1.00 0.00 C ATOM 833 O ALA A 52 -0.793 1.749 -7.751 1.00 0.00 O ATOM 834 CB ALA A 52 -1.291 -0.692 -5.517 1.00 0.00 C ATOM 0 H ALA A 52 -3.201 0.800 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.856 1.212 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.279 -1.075 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.907 -1.005 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.714 -1.086 -6.441 1.00 0.00 H new ATOM 840 N GLU A 53 0.971 1.164 -6.481 1.00 0.00 N ATOM 841 CA GLU A 53 1.962 1.568 -7.473 1.00 0.00 C ATOM 842 C GLU A 53 3.297 0.876 -7.218 1.00 0.00 C ATOM 843 O GLU A 53 3.449 0.138 -6.246 1.00 0.00 O ATOM 844 CB GLU A 53 2.148 3.086 -7.449 1.00 0.00 C ATOM 845 CG GLU A 53 2.691 3.611 -6.131 1.00 0.00 C ATOM 846 CD GLU A 53 3.614 4.799 -6.313 1.00 0.00 C ATOM 847 OE1 GLU A 53 4.470 4.754 -7.222 1.00 0.00 O ATOM 848 OE2 GLU A 53 3.483 5.777 -5.544 1.00 0.00 O ATOM 0 H GLU A 53 1.366 0.784 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 53 1.600 1.269 -8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.827 3.373 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.190 3.564 -7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.859 3.897 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.229 2.813 -5.620 1.00 0.00 H new ATOM 855 N GLU A 54 4.264 1.123 -8.097 1.00 0.00 N ATOM 856 CA GLU A 54 5.588 0.525 -7.965 1.00 0.00 C ATOM 857 C GLU A 54 6.670 1.601 -7.950 1.00 0.00 C ATOM 858 O GLU A 54 6.654 2.522 -8.765 1.00 0.00 O ATOM 859 CB GLU A 54 5.843 -0.459 -9.109 1.00 0.00 C ATOM 860 CG GLU A 54 6.582 -1.714 -8.676 1.00 0.00 C ATOM 861 CD GLU A 54 7.989 -1.424 -8.191 1.00 0.00 C ATOM 862 OE1 GLU A 54 8.657 -0.555 -8.791 1.00 0.00 O ATOM 863 OE2 GLU A 54 8.424 -2.065 -7.211 1.00 0.00 O ATOM 0 H GLU A 54 4.155 1.733 -8.908 1.00 0.00 H new ATOM 0 HA GLU A 54 5.625 -0.014 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.889 -0.744 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.419 0.042 -9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.021 -2.205 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.626 -2.412 -9.512 1.00 0.00 H new