USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 375 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 9 SER OG : rot 180:sc= -0.256 USER MOD Single : A 12 SER OG : rot 150:sc= -0.0328 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.24) USER MOD Single : A 18 ASN : amide:sc= -3.56 K(o=-3.6,f=-0.69) USER MOD Single : A 19 TYR OH : rot 150:sc= -2.58! USER MOD Single : A 21 ASN : amide:sc= -0.0604 K(o=-0.06,f=-2!) USER MOD Single : B 1 PHE N :NH3+ 163:sc= 0.015 (180deg=-0.303) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc=-0.00764 X(o=-0.0076,f=0) USER MOD Single : B 5 HIS : no HD1:sc=-0.00883 K(o=-0.0088,f=-0.57) USER MOD Single : B 9 SER OG : rot -19:sc= 0.148 USER MOD Single : B 10 HIS : no HE2:sc= 0.197 K(o=0.2,f=-1.7) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.962 USER MOD Single : B 29 LYS NZ :NH3+ -138:sc= -0.0648 (180deg=-0.608) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 41.342 6.793 24.441 1.00 0.00 N ATOM 2 CA GLY A 1 40.211 6.062 25.077 1.00 0.00 C ATOM 3 C GLY A 1 39.532 5.178 24.038 1.00 0.00 C ATOM 4 O GLY A 1 39.586 3.950 24.120 1.00 0.00 O ATOM 0 H1 GLY A 1 41.807 7.397 25.149 1.00 0.00 H new ATOM 0 H2 GLY A 1 42.029 6.109 24.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 40.981 7.384 23.665 1.00 0.00 H new ATOM 0 HA2 GLY A 1 40.576 5.454 25.905 1.00 0.00 H new ATOM 0 HA3 GLY A 1 39.494 6.770 25.493 1.00 0.00 H new ATOM 10 N ILE A 2 38.889 5.819 23.059 1.00 0.00 N ATOM 11 CA ILE A 2 38.184 5.091 21.992 1.00 0.00 C ATOM 12 C ILE A 2 38.948 5.173 20.666 1.00 0.00 C ATOM 13 O ILE A 2 38.896 4.244 19.863 1.00 0.00 O ATOM 14 CB ILE A 2 36.767 5.683 21.815 1.00 0.00 C ATOM 15 CG1 ILE A 2 35.801 4.592 21.292 1.00 0.00 C ATOM 16 CG2 ILE A 2 36.808 6.855 20.813 1.00 0.00 C ATOM 17 CD1 ILE A 2 35.259 3.749 22.461 1.00 0.00 C ATOM 0 H ILE A 2 38.840 6.835 22.980 1.00 0.00 H new ATOM 0 HA ILE A 2 38.115 4.042 22.279 1.00 0.00 H new ATOM 0 HB ILE A 2 36.414 6.046 22.780 1.00 0.00 H new ATOM 0 HG12 ILE A 2 34.973 5.057 20.756 1.00 0.00 H new ATOM 0 HG13 ILE A 2 36.320 3.949 20.581 1.00 0.00 H new ATOM 0 HG21 ILE A 2 35.806 7.267 20.694 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.477 7.630 21.187 1.00 0.00 H new ATOM 0 HG23 ILE A 2 37.170 6.497 19.849 1.00 0.00 H new ATOM 0 HD11 ILE A 2 34.581 2.987 22.076 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.089 3.269 22.979 1.00 0.00 H new ATOM 0 HD13 ILE A 2 34.722 4.394 23.156 1.00 0.00 H new ATOM 29 N VAL A 3 39.647 6.284 20.440 1.00 0.00 N ATOM 30 CA VAL A 3 40.405 6.461 19.216 1.00 0.00 C ATOM 31 C VAL A 3 41.520 5.418 19.104 1.00 0.00 C ATOM 32 O VAL A 3 41.739 4.852 18.032 1.00 0.00 O ATOM 33 CB VAL A 3 41.004 7.871 19.171 1.00 0.00 C ATOM 34 CG1 VAL A 3 39.885 8.908 19.332 1.00 0.00 C ATOM 35 CG2 VAL A 3 42.018 8.034 20.307 1.00 0.00 C ATOM 0 H VAL A 3 39.700 7.069 21.089 1.00 0.00 H new ATOM 0 HA VAL A 3 39.727 6.328 18.373 1.00 0.00 H new ATOM 0 HB VAL A 3 41.504 8.021 18.214 1.00 0.00 H new ATOM 0 HG11 VAL A 3 40.311 9.911 19.300 1.00 0.00 H new ATOM 0 HG12 VAL A 3 39.164 8.794 18.522 1.00 0.00 H new ATOM 0 HG13 VAL A 3 39.384 8.757 20.288 1.00 0.00 H new ATOM 0 HG21 VAL A 3 42.443 9.037 20.274 1.00 0.00 H new ATOM 0 HG22 VAL A 3 41.519 7.883 21.264 1.00 0.00 H new ATOM 0 HG23 VAL A 3 42.814 7.298 20.192 1.00 0.00 H new ATOM 45 N GLU A 4 42.221 5.161 20.209 1.00 0.00 N ATOM 46 CA GLU A 4 43.301 4.176 20.197 1.00 0.00 C ATOM 47 C GLU A 4 42.728 2.770 20.031 1.00 0.00 C ATOM 48 O GLU A 4 43.377 1.888 19.470 1.00 0.00 O ATOM 49 CB GLU A 4 44.111 4.249 21.499 1.00 0.00 C ATOM 50 CG GLU A 4 45.352 3.356 21.383 1.00 0.00 C ATOM 51 CD GLU A 4 46.340 3.961 20.390 1.00 0.00 C ATOM 52 OE1 GLU A 4 46.110 5.080 19.963 1.00 0.00 O ATOM 53 OE2 GLU A 4 47.309 3.293 20.068 1.00 0.00 O ATOM 0 H GLU A 4 42.064 5.613 21.110 1.00 0.00 H new ATOM 0 HA GLU A 4 43.959 4.400 19.358 1.00 0.00 H new ATOM 0 HB2 GLU A 4 44.409 5.279 21.697 1.00 0.00 H new ATOM 0 HB3 GLU A 4 43.497 3.928 22.340 1.00 0.00 H new ATOM 0 HG2 GLU A 4 45.825 3.248 22.359 1.00 0.00 H new ATOM 0 HG3 GLU A 4 45.062 2.357 21.057 1.00 0.00 H new ATOM 60 N GLN A 5 41.514 2.569 20.538 1.00 0.00 N ATOM 61 CA GLN A 5 40.861 1.276 20.466 1.00 0.00 C ATOM 62 C GLN A 5 40.639 0.850 19.017 1.00 0.00 C ATOM 63 O GLN A 5 40.914 -0.292 18.654 1.00 0.00 O ATOM 64 CB GLN A 5 39.512 1.345 21.189 1.00 0.00 C ATOM 65 CG GLN A 5 38.874 -0.045 21.247 1.00 0.00 C ATOM 66 CD GLN A 5 37.536 0.027 21.976 1.00 0.00 C ATOM 67 OE1 GLN A 5 36.735 0.924 21.716 1.00 0.00 O ATOM 68 NE2 GLN A 5 37.248 -0.865 22.884 1.00 0.00 N ATOM 0 H GLN A 5 40.965 3.292 21.004 1.00 0.00 H new ATOM 0 HA GLN A 5 41.506 0.539 20.945 1.00 0.00 H new ATOM 0 HB2 GLN A 5 39.651 1.732 22.198 1.00 0.00 H new ATOM 0 HB3 GLN A 5 38.848 2.037 20.671 1.00 0.00 H new ATOM 0 HG2 GLN A 5 38.728 -0.430 20.238 1.00 0.00 H new ATOM 0 HG3 GLN A 5 39.540 -0.739 21.759 1.00 0.00 H new ATOM 0 HE21 GLN A 5 37.913 -1.608 23.098 1.00 0.00 H new ATOM 0 HE22 GLN A 5 36.358 -0.819 23.379 1.00 0.00 H new ATOM 77 N CYS A 6 40.124 1.767 18.199 1.00 0.00 N ATOM 78 CA CYS A 6 39.844 1.461 16.794 1.00 0.00 C ATOM 79 C CYS A 6 41.137 1.389 15.981 1.00 0.00 C ATOM 80 O CYS A 6 41.414 0.393 15.313 1.00 0.00 O ATOM 81 CB CYS A 6 38.917 2.543 16.208 1.00 0.00 C ATOM 82 SG CYS A 6 39.615 4.206 16.450 1.00 0.00 S ATOM 0 H CYS A 6 39.893 2.720 18.480 1.00 0.00 H new ATOM 0 HA CYS A 6 39.354 0.489 16.741 1.00 0.00 H new ATOM 0 HB2 CYS A 6 38.766 2.360 15.144 1.00 0.00 H new ATOM 0 HB3 CYS A 6 37.938 2.484 16.683 1.00 0.00 H new ATOM 87 N CYS A 7 41.929 2.450 16.046 1.00 0.00 N ATOM 88 CA CYS A 7 43.202 2.494 15.325 1.00 0.00 C ATOM 89 C CYS A 7 44.248 3.231 16.161 1.00 0.00 C ATOM 90 O CYS A 7 43.912 3.867 17.155 1.00 0.00 O ATOM 91 CB CYS A 7 43.017 3.179 13.964 1.00 0.00 C ATOM 92 SG CYS A 7 42.046 2.102 12.874 1.00 0.00 S ATOM 0 H CYS A 7 41.718 3.289 16.586 1.00 0.00 H new ATOM 0 HA CYS A 7 43.549 1.475 15.152 1.00 0.00 H new ATOM 0 HB2 CYS A 7 42.511 4.136 14.092 1.00 0.00 H new ATOM 0 HB3 CYS A 7 43.988 3.389 13.515 1.00 0.00 H new ATOM 97 N ALA A 8 45.514 3.147 15.758 1.00 0.00 N ATOM 98 CA ALA A 8 46.576 3.818 16.487 1.00 0.00 C ATOM 99 C ALA A 8 46.290 5.319 16.590 1.00 0.00 C ATOM 100 O ALA A 8 46.406 5.912 17.663 1.00 0.00 O ATOM 101 CB ALA A 8 47.913 3.590 15.780 1.00 0.00 C ATOM 0 H ALA A 8 45.823 2.625 14.938 1.00 0.00 H new ATOM 0 HA ALA A 8 46.625 3.404 17.494 1.00 0.00 H new ATOM 0 HB1 ALA A 8 48.707 4.095 16.331 1.00 0.00 H new ATOM 0 HB2 ALA A 8 48.124 2.522 15.737 1.00 0.00 H new ATOM 0 HB3 ALA A 8 47.862 3.990 14.768 1.00 0.00 H new ATOM 107 N SER A 9 45.905 5.918 15.465 1.00 0.00 N ATOM 108 CA SER A 9 45.584 7.344 15.422 1.00 0.00 C ATOM 109 C SER A 9 44.748 7.646 14.178 1.00 0.00 C ATOM 110 O SER A 9 44.540 6.770 13.342 1.00 0.00 O ATOM 111 CB SER A 9 46.866 8.181 15.399 1.00 0.00 C ATOM 112 OG SER A 9 46.526 9.562 15.427 1.00 0.00 O ATOM 0 H SER A 9 45.808 5.438 14.570 1.00 0.00 H new ATOM 0 HA SER A 9 45.014 7.602 16.315 1.00 0.00 H new ATOM 0 HB2 SER A 9 47.492 7.931 16.255 1.00 0.00 H new ATOM 0 HB3 SER A 9 47.445 7.955 14.504 1.00 0.00 H new ATOM 0 HG SER A 9 47.345 10.101 15.414 1.00 0.00 H new ATOM 118 N VAL A 10 44.283 8.887 14.060 1.00 0.00 N ATOM 119 CA VAL A 10 43.479 9.294 12.900 1.00 0.00 C ATOM 120 C VAL A 10 42.178 8.497 12.824 1.00 0.00 C ATOM 121 O VAL A 10 41.758 8.064 11.750 1.00 0.00 O ATOM 122 CB VAL A 10 44.284 9.099 11.608 1.00 0.00 C ATOM 123 CG1 VAL A 10 43.660 9.934 10.481 1.00 0.00 C ATOM 124 CG2 VAL A 10 45.743 9.540 11.826 1.00 0.00 C ATOM 0 H VAL A 10 44.445 9.626 14.744 1.00 0.00 H new ATOM 0 HA VAL A 10 43.228 10.348 13.016 1.00 0.00 H new ATOM 0 HB VAL A 10 44.266 8.044 11.333 1.00 0.00 H new ATOM 0 HG11 VAL A 10 44.233 9.794 9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.631 9.614 10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 10 43.672 10.988 10.759 1.00 0.00 H new ATOM 0 HG21 VAL A 10 46.307 9.398 10.904 1.00 0.00 H new ATOM 0 HG22 VAL A 10 45.767 10.593 12.108 1.00 0.00 H new ATOM 0 HG23 VAL A 10 46.189 8.942 12.620 1.00 0.00 H new ATOM 134 N CYS A 11 41.541 8.305 13.976 1.00 0.00 N ATOM 135 CA CYS A 11 40.283 7.566 14.034 1.00 0.00 C ATOM 136 C CYS A 11 39.399 8.106 15.156 1.00 0.00 C ATOM 137 O CYS A 11 39.757 8.044 16.332 1.00 0.00 O ATOM 138 CB CYS A 11 40.573 6.074 14.256 1.00 0.00 C ATOM 139 SG CYS A 11 39.066 5.218 14.783 1.00 0.00 S ATOM 0 H CYS A 11 41.873 8.649 14.877 1.00 0.00 H new ATOM 0 HA CYS A 11 39.753 7.691 13.090 1.00 0.00 H new ATOM 0 HB2 CYS A 11 40.951 5.628 13.336 1.00 0.00 H new ATOM 0 HB3 CYS A 11 41.351 5.955 15.010 1.00 0.00 H new ATOM 144 N SER A 12 38.234 8.640 14.780 1.00 0.00 N ATOM 145 CA SER A 12 37.294 9.200 15.756 1.00 0.00 C ATOM 146 C SER A 12 35.984 8.418 15.792 1.00 0.00 C ATOM 147 O SER A 12 35.606 7.751 14.829 1.00 0.00 O ATOM 148 CB SER A 12 37.009 10.662 15.410 1.00 0.00 C ATOM 149 OG SER A 12 36.198 11.235 16.426 1.00 0.00 O ATOM 0 H SER A 12 37.920 8.697 13.811 1.00 0.00 H new ATOM 0 HA SER A 12 37.753 9.130 16.742 1.00 0.00 H new ATOM 0 HB2 SER A 12 37.944 11.215 15.320 1.00 0.00 H new ATOM 0 HB3 SER A 12 36.505 10.728 14.446 1.00 0.00 H new ATOM 0 HG SER A 12 36.393 12.193 16.499 1.00 0.00 H new ATOM 155 N LEU A 13 35.304 8.525 16.926 1.00 0.00 N ATOM 156 CA LEU A 13 34.027 7.853 17.141 1.00 0.00 C ATOM 157 C LEU A 13 32.959 8.362 16.174 1.00 0.00 C ATOM 158 O LEU A 13 32.003 7.651 15.859 1.00 0.00 O ATOM 159 CB LEU A 13 33.570 8.101 18.585 1.00 0.00 C ATOM 160 CG LEU A 13 33.453 9.632 18.851 1.00 0.00 C ATOM 161 CD1 LEU A 13 31.990 10.079 18.743 1.00 0.00 C ATOM 162 CD2 LEU A 13 33.974 9.973 20.261 1.00 0.00 C ATOM 0 H LEU A 13 35.620 9.079 17.722 1.00 0.00 H new ATOM 0 HA LEU A 13 34.163 6.786 16.962 1.00 0.00 H new ATOM 0 HB2 LEU A 13 32.608 7.619 18.759 1.00 0.00 H new ATOM 0 HB3 LEU A 13 34.280 7.656 19.282 1.00 0.00 H new ATOM 0 HG LEU A 13 34.053 10.153 18.104 1.00 0.00 H new ATOM 0 HD11 LEU A 13 31.922 11.151 18.931 1.00 0.00 H new ATOM 0 HD12 LEU A 13 31.616 9.862 17.742 1.00 0.00 H new ATOM 0 HD13 LEU A 13 31.390 9.543 19.479 1.00 0.00 H new ATOM 0 HD21 LEU A 13 33.886 11.046 20.432 1.00 0.00 H new ATOM 0 HD22 LEU A 13 33.385 9.437 21.006 1.00 0.00 H new ATOM 0 HD23 LEU A 13 35.020 9.677 20.344 1.00 0.00 H new ATOM 174 N TYR A 14 33.114 9.604 15.730 1.00 0.00 N ATOM 175 CA TYR A 14 32.151 10.220 14.823 1.00 0.00 C ATOM 176 C TYR A 14 32.005 9.412 13.533 1.00 0.00 C ATOM 177 O TYR A 14 30.958 9.440 12.882 1.00 0.00 O ATOM 178 CB TYR A 14 32.600 11.642 14.486 1.00 0.00 C ATOM 179 CG TYR A 14 32.453 12.519 15.711 1.00 0.00 C ATOM 180 CD1 TYR A 14 31.180 12.787 16.234 1.00 0.00 C ATOM 181 CD2 TYR A 14 33.587 13.070 16.318 1.00 0.00 C ATOM 182 CE1 TYR A 14 31.047 13.601 17.367 1.00 0.00 C ATOM 183 CE2 TYR A 14 33.454 13.883 17.448 1.00 0.00 C ATOM 184 CZ TYR A 14 32.184 14.149 17.973 1.00 0.00 C ATOM 185 OH TYR A 14 32.051 14.953 19.087 1.00 0.00 O ATOM 0 H TYR A 14 33.898 10.205 15.983 1.00 0.00 H new ATOM 0 HA TYR A 14 31.182 10.243 15.322 1.00 0.00 H new ATOM 0 HB2 TYR A 14 33.637 11.638 14.150 1.00 0.00 H new ATOM 0 HB3 TYR A 14 32.001 12.040 13.666 1.00 0.00 H new ATOM 0 HD1 TYR A 14 30.303 12.367 15.764 1.00 0.00 H new ATOM 0 HD2 TYR A 14 34.567 12.867 15.913 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.067 13.806 17.773 1.00 0.00 H new ATOM 0 HE2 TYR A 14 34.331 14.306 17.916 1.00 0.00 H new ATOM 0 HH TYR A 14 32.937 15.250 19.384 1.00 0.00 H new ATOM 195 N GLN A 15 33.060 8.698 13.158 1.00 0.00 N ATOM 196 CA GLN A 15 33.029 7.905 11.939 1.00 0.00 C ATOM 197 C GLN A 15 32.402 6.531 12.199 1.00 0.00 C ATOM 198 O GLN A 15 31.900 5.884 11.279 1.00 0.00 O ATOM 199 CB GLN A 15 34.456 7.721 11.391 1.00 0.00 C ATOM 200 CG GLN A 15 35.129 9.095 11.184 1.00 0.00 C ATOM 201 CD GLN A 15 34.287 9.976 10.271 1.00 0.00 C ATOM 202 OE1 GLN A 15 34.503 10.009 9.059 1.00 0.00 O ATOM 203 NE2 GLN A 15 33.335 10.700 10.792 1.00 0.00 N ATOM 0 H GLN A 15 33.938 8.653 13.675 1.00 0.00 H new ATOM 0 HA GLN A 15 32.422 8.435 11.205 1.00 0.00 H new ATOM 0 HB2 GLN A 15 35.045 7.120 12.084 1.00 0.00 H new ATOM 0 HB3 GLN A 15 34.423 7.178 10.447 1.00 0.00 H new ATOM 0 HG2 GLN A 15 35.266 9.587 12.147 1.00 0.00 H new ATOM 0 HG3 GLN A 15 36.120 8.958 10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 15 33.161 10.668 11.797 1.00 0.00 H new ATOM 0 HE22 GLN A 15 32.764 11.298 10.195 1.00 0.00 H new ATOM 212 N LEU A 16 32.439 6.086 13.451 1.00 0.00 N ATOM 213 CA LEU A 16 31.875 4.799 13.824 1.00 0.00 C ATOM 214 C LEU A 16 30.347 4.828 13.782 1.00 0.00 C ATOM 215 O LEU A 16 29.696 3.843 13.434 1.00 0.00 O ATOM 216 CB LEU A 16 32.343 4.411 15.235 1.00 0.00 C ATOM 217 CG LEU A 16 33.873 4.244 15.254 1.00 0.00 C ATOM 218 CD1 LEU A 16 34.334 3.907 16.680 1.00 0.00 C ATOM 219 CD2 LEU A 16 34.284 3.112 14.307 1.00 0.00 C ATOM 0 H LEU A 16 32.856 6.602 14.225 1.00 0.00 H new ATOM 0 HA LEU A 16 32.224 4.059 13.104 1.00 0.00 H new ATOM 0 HB2 LEU A 16 32.044 5.177 15.950 1.00 0.00 H new ATOM 0 HB3 LEU A 16 31.864 3.482 15.544 1.00 0.00 H new ATOM 0 HG LEU A 16 34.339 5.174 14.928 1.00 0.00 H new ATOM 0 HD11 LEU A 16 35.417 3.789 16.694 1.00 0.00 H new ATOM 0 HD12 LEU A 16 34.049 4.714 17.355 1.00 0.00 H new ATOM 0 HD13 LEU A 16 33.864 2.979 17.005 1.00 0.00 H new ATOM 0 HD21 LEU A 16 35.368 2.998 14.325 1.00 0.00 H new ATOM 0 HD22 LEU A 16 33.816 2.181 14.628 1.00 0.00 H new ATOM 0 HD23 LEU A 16 33.961 3.350 13.294 1.00 0.00 H new ATOM 231 N GLU A 17 29.797 5.958 14.186 1.00 0.00 N ATOM 232 CA GLU A 17 28.355 6.136 14.247 1.00 0.00 C ATOM 233 C GLU A 17 27.756 6.371 12.859 1.00 0.00 C ATOM 234 O GLU A 17 26.535 6.388 12.691 1.00 0.00 O ATOM 235 CB GLU A 17 28.024 7.323 15.187 1.00 0.00 C ATOM 236 CG GLU A 17 28.894 8.528 14.816 1.00 0.00 C ATOM 237 CD GLU A 17 28.419 9.767 15.576 1.00 0.00 C ATOM 238 OE1 GLU A 17 27.367 10.281 15.230 1.00 0.00 O ATOM 239 OE2 GLU A 17 29.110 10.181 16.491 1.00 0.00 O ATOM 0 H GLU A 17 30.332 6.775 14.480 1.00 0.00 H new ATOM 0 HA GLU A 17 27.911 5.221 14.640 1.00 0.00 H new ATOM 0 HB2 GLU A 17 26.969 7.583 15.103 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.201 7.039 16.224 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.937 8.322 15.055 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.843 8.708 13.742 1.00 0.00 H new ATOM 246 N ASN A 18 28.617 6.559 11.873 1.00 0.00 N ATOM 247 CA ASN A 18 28.162 6.814 10.513 1.00 0.00 C ATOM 248 C ASN A 18 27.108 5.800 10.069 1.00 0.00 C ATOM 249 O ASN A 18 26.363 6.055 9.124 1.00 0.00 O ATOM 250 CB ASN A 18 29.352 6.783 9.553 1.00 0.00 C ATOM 251 CG ASN A 18 29.765 5.340 9.286 1.00 0.00 C ATOM 252 OD1 ASN A 18 29.918 4.942 8.133 1.00 0.00 O ATOM 253 ND2 ASN A 18 29.947 4.527 10.294 1.00 0.00 N ATOM 0 H ASN A 18 29.631 6.540 11.986 1.00 0.00 H new ATOM 0 HA ASN A 18 27.701 7.802 10.495 1.00 0.00 H new ATOM 0 HB2 ASN A 18 29.088 7.274 8.616 1.00 0.00 H new ATOM 0 HB3 ASN A 18 30.189 7.337 9.979 1.00 0.00 H new ATOM 0 HD21 ASN A 18 30.217 3.558 10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 18 29.819 4.862 11.249 1.00 0.00 H new ATOM 260 N TYR A 19 27.060 4.645 10.733 1.00 0.00 N ATOM 261 CA TYR A 19 26.092 3.598 10.372 1.00 0.00 C ATOM 262 C TYR A 19 25.333 3.096 11.601 1.00 0.00 C ATOM 263 O TYR A 19 24.448 2.250 11.483 1.00 0.00 O ATOM 264 CB TYR A 19 26.823 2.436 9.665 1.00 0.00 C ATOM 265 CG TYR A 19 27.282 1.410 10.661 1.00 0.00 C ATOM 266 CD1 TYR A 19 26.443 0.350 11.005 1.00 0.00 C ATOM 267 CD2 TYR A 19 28.549 1.516 11.219 1.00 0.00 C ATOM 268 CE1 TYR A 19 26.877 -0.612 11.919 1.00 0.00 C ATOM 269 CE2 TYR A 19 28.988 0.567 12.129 1.00 0.00 C ATOM 270 CZ TYR A 19 28.158 -0.506 12.480 1.00 0.00 C ATOM 271 OH TYR A 19 28.597 -1.449 13.381 1.00 0.00 O ATOM 0 H TYR A 19 27.670 4.408 11.515 1.00 0.00 H new ATOM 0 HA TYR A 19 25.358 4.025 9.689 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.158 1.971 8.937 1.00 0.00 H new ATOM 0 HB3 TYR A 19 27.680 2.822 9.113 1.00 0.00 H new ATOM 0 HD1 TYR A 19 25.460 0.274 10.565 1.00 0.00 H new ATOM 0 HD2 TYR A 19 29.193 2.338 10.944 1.00 0.00 H new ATOM 0 HE1 TYR A 19 26.230 -1.433 12.192 1.00 0.00 H new ATOM 0 HE2 TYR A 19 29.971 0.655 12.568 1.00 0.00 H new ATOM 0 HH TYR A 19 29.571 -1.532 13.319 1.00 0.00 H new ATOM 281 N CYS A 20 25.685 3.605 12.781 1.00 0.00 N ATOM 282 CA CYS A 20 25.030 3.189 14.015 1.00 0.00 C ATOM 283 C CYS A 20 24.340 4.378 14.678 1.00 0.00 C ATOM 284 O CYS A 20 24.637 5.531 14.367 1.00 0.00 O ATOM 285 CB CYS A 20 26.059 2.566 14.970 1.00 0.00 C ATOM 286 SG CYS A 20 26.448 0.881 14.432 1.00 0.00 S ATOM 0 H CYS A 20 26.418 4.303 12.906 1.00 0.00 H new ATOM 0 HA CYS A 20 24.273 2.442 13.777 1.00 0.00 H new ATOM 0 HB2 CYS A 20 26.966 3.171 14.988 1.00 0.00 H new ATOM 0 HB3 CYS A 20 25.665 2.552 15.986 1.00 0.00 H new ATOM 291 N ASN A 21 23.416 4.090 15.591 1.00 0.00 N ATOM 292 CA ASN A 21 22.690 5.142 16.295 1.00 0.00 C ATOM 293 C ASN A 21 23.548 5.725 17.411 1.00 0.00 C ATOM 294 O ASN A 21 24.325 4.980 17.985 1.00 0.00 O ATOM 295 CB ASN A 21 21.398 4.574 16.883 1.00 0.00 C ATOM 296 CG ASN A 21 20.394 4.298 15.770 1.00 0.00 C ATOM 297 OD1 ASN A 21 20.509 4.856 14.678 1.00 0.00 O ATOM 298 ND2 ASN A 21 19.413 3.462 15.978 1.00 0.00 N ATOM 299 OXT ASN A 21 23.417 6.909 17.677 1.00 0.00 O ATOM 0 H ASN A 21 23.154 3.142 15.859 1.00 0.00 H new ATOM 0 HA ASN A 21 22.449 5.935 15.586 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.611 3.654 17.428 1.00 0.00 H new ATOM 0 HB3 ASN A 21 20.975 5.278 17.599 1.00 0.00 H new ATOM 0 HD21 ASN A 21 18.740 3.270 15.236 1.00 0.00 H new ATOM 0 HD22 ASN A 21 19.319 3.001 16.883 1.00 0.00 H new TER 306 ASN A 21 ATOM 307 N PHE B 1 39.407 13.876 -1.254 1.00 0.00 N ATOM 308 CA PHE B 1 39.577 12.589 -1.986 1.00 0.00 C ATOM 309 C PHE B 1 40.618 11.733 -1.272 1.00 0.00 C ATOM 310 O PHE B 1 41.185 10.811 -1.861 1.00 0.00 O ATOM 311 CB PHE B 1 40.031 12.879 -3.419 1.00 0.00 C ATOM 312 CG PHE B 1 38.926 13.589 -4.162 1.00 0.00 C ATOM 313 CD1 PHE B 1 37.722 12.930 -4.414 1.00 0.00 C ATOM 314 CD2 PHE B 1 39.109 14.907 -4.599 1.00 0.00 C ATOM 315 CE1 PHE B 1 36.693 13.586 -5.103 1.00 0.00 C ATOM 316 CE2 PHE B 1 38.084 15.565 -5.288 1.00 0.00 C ATOM 317 CZ PHE B 1 36.875 14.904 -5.539 1.00 0.00 C ATOM 0 H1 PHE B 1 38.933 14.566 -1.871 1.00 0.00 H new ATOM 0 H2 PHE B 1 38.830 13.718 -0.404 1.00 0.00 H new ATOM 0 H3 PHE B 1 40.340 14.243 -0.976 1.00 0.00 H new ATOM 0 HA PHE B 1 38.630 12.050 -2.011 1.00 0.00 H new ATOM 0 HB2 PHE B 1 40.931 13.494 -3.409 1.00 0.00 H new ATOM 0 HB3 PHE B 1 40.286 11.949 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE B 1 37.583 11.913 -4.078 1.00 0.00 H new ATOM 0 HD2 PHE B 1 40.042 15.416 -4.404 1.00 0.00 H new ATOM 0 HE1 PHE B 1 35.761 13.076 -5.297 1.00 0.00 H new ATOM 0 HE2 PHE B 1 38.225 16.581 -5.626 1.00 0.00 H new ATOM 0 HZ PHE B 1 36.083 15.411 -6.069 1.00 0.00 H new ATOM 329 N VAL B 2 40.861 12.039 0.001 1.00 0.00 N ATOM 330 CA VAL B 2 41.836 11.285 0.795 1.00 0.00 C ATOM 331 C VAL B 2 41.117 10.231 1.625 1.00 0.00 C ATOM 332 O VAL B 2 40.178 10.541 2.358 1.00 0.00 O ATOM 333 CB VAL B 2 42.612 12.230 1.726 1.00 0.00 C ATOM 334 CG1 VAL B 2 43.486 11.411 2.682 1.00 0.00 C ATOM 335 CG2 VAL B 2 43.504 13.155 0.892 1.00 0.00 C ATOM 0 H VAL B 2 40.401 12.798 0.504 1.00 0.00 H new ATOM 0 HA VAL B 2 42.539 10.800 0.118 1.00 0.00 H new ATOM 0 HB VAL B 2 41.904 12.826 2.301 1.00 0.00 H new ATOM 0 HG11 VAL B 2 44.035 12.084 3.340 1.00 0.00 H new ATOM 0 HG12 VAL B 2 42.854 10.754 3.280 1.00 0.00 H new ATOM 0 HG13 VAL B 2 44.191 10.811 2.107 1.00 0.00 H new ATOM 0 HG21 VAL B 2 44.053 13.824 1.554 1.00 0.00 H new ATOM 0 HG22 VAL B 2 44.209 12.557 0.314 1.00 0.00 H new ATOM 0 HG23 VAL B 2 42.885 13.743 0.214 1.00 0.00 H new ATOM 345 N ASN B 3 41.563 8.984 1.512 1.00 0.00 N ATOM 346 CA ASN B 3 40.948 7.894 2.265 1.00 0.00 C ATOM 347 C ASN B 3 41.601 7.759 3.628 1.00 0.00 C ATOM 348 O ASN B 3 42.751 7.335 3.740 1.00 0.00 O ATOM 349 CB ASN B 3 41.090 6.578 1.502 1.00 0.00 C ATOM 350 CG ASN B 3 40.396 5.459 2.270 1.00 0.00 C ATOM 351 OD1 ASN B 3 41.058 4.579 2.819 1.00 0.00 O ATOM 352 ND2 ASN B 3 39.092 5.438 2.339 1.00 0.00 N ATOM 0 H ASN B 3 42.340 8.704 0.913 1.00 0.00 H new ATOM 0 HA ASN B 3 39.890 8.123 2.396 1.00 0.00 H new ATOM 0 HB2 ASN B 3 40.653 6.674 0.508 1.00 0.00 H new ATOM 0 HB3 ASN B 3 42.144 6.338 1.365 1.00 0.00 H new ATOM 0 HD21 ASN B 3 38.620 4.691 2.849 1.00 0.00 H new ATOM 0 HD22 ASN B 3 38.545 6.169 1.883 1.00 0.00 H new ATOM 359 N GLN B 4 40.851 8.108 4.665 1.00 0.00 N ATOM 360 CA GLN B 4 41.360 8.011 6.011 1.00 0.00 C ATOM 361 C GLN B 4 41.727 6.575 6.324 1.00 0.00 C ATOM 362 O GLN B 4 41.216 5.634 5.721 1.00 0.00 O ATOM 363 CB GLN B 4 40.319 8.502 7.028 1.00 0.00 C ATOM 364 CG GLN B 4 40.283 10.038 7.043 1.00 0.00 C ATOM 365 CD GLN B 4 39.296 10.530 8.094 1.00 0.00 C ATOM 366 OE1 GLN B 4 38.331 11.225 7.770 1.00 0.00 O ATOM 367 NE2 GLN B 4 39.484 10.206 9.340 1.00 0.00 N ATOM 0 H GLN B 4 39.895 8.458 4.593 1.00 0.00 H new ATOM 0 HA GLN B 4 42.246 8.642 6.083 1.00 0.00 H new ATOM 0 HB2 GLN B 4 39.335 8.109 6.772 1.00 0.00 H new ATOM 0 HB3 GLN B 4 40.563 8.126 8.021 1.00 0.00 H new ATOM 0 HG2 GLN B 4 41.277 10.430 7.255 1.00 0.00 H new ATOM 0 HG3 GLN B 4 39.996 10.412 6.060 1.00 0.00 H new ATOM 0 HE21 GLN B 4 40.284 9.631 9.602 1.00 0.00 H new ATOM 0 HE22 GLN B 4 38.831 10.527 10.055 1.00 0.00 H new ATOM 376 N HIS B 5 42.613 6.430 7.274 1.00 0.00 N ATOM 377 CA HIS B 5 43.063 5.126 7.697 1.00 0.00 C ATOM 378 C HIS B 5 41.882 4.311 8.209 1.00 0.00 C ATOM 379 O HIS B 5 40.833 4.859 8.544 1.00 0.00 O ATOM 380 CB HIS B 5 44.108 5.257 8.801 1.00 0.00 C ATOM 381 CG HIS B 5 45.320 5.976 8.270 1.00 0.00 C ATOM 382 ND1 HIS B 5 45.481 7.346 8.400 1.00 0.00 N ATOM 383 CD2 HIS B 5 46.438 5.529 7.604 1.00 0.00 C ATOM 384 CE1 HIS B 5 46.654 7.674 7.827 1.00 0.00 C ATOM 385 NE2 HIS B 5 47.278 6.604 7.327 1.00 0.00 N ATOM 0 H HIS B 5 43.043 7.207 7.776 1.00 0.00 H new ATOM 0 HA HIS B 5 43.511 4.619 6.843 1.00 0.00 H new ATOM 0 HB2 HIS B 5 43.691 5.803 9.647 1.00 0.00 H new ATOM 0 HB3 HIS B 5 44.390 4.270 9.167 1.00 0.00 H new ATOM 0 HD2 HIS B 5 46.634 4.501 7.337 1.00 0.00 H new ATOM 0 HE1 HIS B 5 47.043 8.680 7.778 1.00 0.00 H new ATOM 0 HE2 HIS B 5 48.177 6.580 6.846 1.00 0.00 H new ATOM 393 N LEU B 6 42.071 3.005 8.278 1.00 0.00 N ATOM 394 CA LEU B 6 41.035 2.109 8.759 1.00 0.00 C ATOM 395 C LEU B 6 41.652 0.768 9.134 1.00 0.00 C ATOM 396 O LEU B 6 42.434 0.202 8.369 1.00 0.00 O ATOM 397 CB LEU B 6 39.949 1.924 7.682 1.00 0.00 C ATOM 398 CG LEU B 6 38.856 0.951 8.162 1.00 0.00 C ATOM 399 CD1 LEU B 6 38.203 1.483 9.446 1.00 0.00 C ATOM 400 CD2 LEU B 6 37.783 0.812 7.073 1.00 0.00 C ATOM 0 H LEU B 6 42.937 2.540 8.005 1.00 0.00 H new ATOM 0 HA LEU B 6 40.568 2.542 9.644 1.00 0.00 H new ATOM 0 HB2 LEU B 6 39.502 2.889 7.442 1.00 0.00 H new ATOM 0 HB3 LEU B 6 40.401 1.545 6.766 1.00 0.00 H new ATOM 0 HG LEU B 6 39.309 -0.019 8.364 1.00 0.00 H new ATOM 0 HD11 LEU B 6 37.432 0.788 9.777 1.00 0.00 H new ATOM 0 HD12 LEU B 6 38.959 1.583 10.224 1.00 0.00 H new ATOM 0 HD13 LEU B 6 37.754 2.456 9.249 1.00 0.00 H new ATOM 0 HD21 LEU B 6 37.009 0.124 7.411 1.00 0.00 H new ATOM 0 HD22 LEU B 6 37.339 1.787 6.873 1.00 0.00 H new ATOM 0 HD23 LEU B 6 38.238 0.426 6.161 1.00 0.00 H new ATOM 412 N CYS B 7 41.298 0.262 10.318 1.00 0.00 N ATOM 413 CA CYS B 7 41.825 -1.020 10.791 1.00 0.00 C ATOM 414 C CYS B 7 40.695 -2.054 10.897 1.00 0.00 C ATOM 415 O CYS B 7 39.704 -1.840 11.595 1.00 0.00 O ATOM 416 CB CYS B 7 42.498 -0.823 12.159 1.00 0.00 C ATOM 417 SG CYS B 7 43.384 0.761 12.160 1.00 0.00 S ATOM 0 H CYS B 7 40.652 0.717 10.963 1.00 0.00 H new ATOM 0 HA CYS B 7 42.562 -1.390 10.078 1.00 0.00 H new ATOM 0 HB2 CYS B 7 41.750 -0.836 12.952 1.00 0.00 H new ATOM 0 HB3 CYS B 7 43.190 -1.641 12.359 1.00 0.00 H new ATOM 422 N GLY B 8 40.847 -3.168 10.184 1.00 0.00 N ATOM 423 CA GLY B 8 39.829 -4.220 10.184 1.00 0.00 C ATOM 424 C GLY B 8 39.886 -5.096 11.438 1.00 0.00 C ATOM 425 O GLY B 8 38.864 -5.327 12.079 1.00 0.00 O ATOM 0 H GLY B 8 41.660 -3.366 9.601 1.00 0.00 H new ATOM 0 HA2 GLY B 8 38.842 -3.765 10.108 1.00 0.00 H new ATOM 0 HA3 GLY B 8 39.960 -4.847 9.302 1.00 0.00 H new ATOM 429 N SER B 9 41.073 -5.596 11.775 1.00 0.00 N ATOM 430 CA SER B 9 41.218 -6.458 12.940 1.00 0.00 C ATOM 431 C SER B 9 40.551 -5.831 14.151 1.00 0.00 C ATOM 432 O SER B 9 40.300 -6.501 15.151 1.00 0.00 O ATOM 433 CB SER B 9 42.699 -6.680 13.242 1.00 0.00 C ATOM 434 OG SER B 9 42.832 -7.559 14.354 1.00 0.00 O ATOM 0 H SER B 9 41.938 -5.420 11.263 1.00 0.00 H new ATOM 0 HA SER B 9 40.740 -7.413 12.723 1.00 0.00 H new ATOM 0 HB2 SER B 9 43.199 -7.102 12.370 1.00 0.00 H new ATOM 0 HB3 SER B 9 43.183 -5.728 13.458 1.00 0.00 H new ATOM 0 HG SER B 9 41.992 -7.578 14.859 1.00 0.00 H new ATOM 440 N HIS B 10 40.257 -4.541 14.051 1.00 0.00 N ATOM 441 CA HIS B 10 39.606 -3.827 15.138 1.00 0.00 C ATOM 442 C HIS B 10 38.133 -3.668 14.823 1.00 0.00 C ATOM 443 O HIS B 10 37.280 -3.792 15.698 1.00 0.00 O ATOM 444 CB HIS B 10 40.253 -2.456 15.330 1.00 0.00 C ATOM 445 CG HIS B 10 41.628 -2.632 15.905 1.00 0.00 C ATOM 446 ND1 HIS B 10 41.881 -2.460 17.251 1.00 0.00 N ATOM 447 CD2 HIS B 10 42.828 -2.964 15.333 1.00 0.00 C ATOM 448 CE1 HIS B 10 43.196 -2.686 17.449 1.00 0.00 C ATOM 449 NE2 HIS B 10 43.819 -2.997 16.310 1.00 0.00 N ATOM 0 H HIS B 10 40.459 -3.970 13.230 1.00 0.00 H new ATOM 0 HA HIS B 10 39.719 -4.396 16.061 1.00 0.00 H new ATOM 0 HB2 HIS B 10 40.310 -1.931 14.376 1.00 0.00 H new ATOM 0 HB3 HIS B 10 39.644 -1.844 15.995 1.00 0.00 H new ATOM 0 HD1 HIS B 10 41.198 -2.208 17.966 1.00 0.00 H new ATOM 0 HD2 HIS B 10 42.982 -3.169 14.284 1.00 0.00 H new ATOM 0 HE1 HIS B 10 43.684 -2.623 18.410 1.00 0.00 H new ATOM 457 N LEU B 11 37.840 -3.414 13.556 1.00 0.00 N ATOM 458 CA LEU B 11 36.471 -3.260 13.129 1.00 0.00 C ATOM 459 C LEU B 11 35.726 -4.563 13.352 1.00 0.00 C ATOM 460 O LEU B 11 34.566 -4.574 13.757 1.00 0.00 O ATOM 461 CB LEU B 11 36.435 -2.895 11.637 1.00 0.00 C ATOM 462 CG LEU B 11 35.188 -2.050 11.327 1.00 0.00 C ATOM 463 CD1 LEU B 11 33.912 -2.776 11.805 1.00 0.00 C ATOM 464 CD2 LEU B 11 35.319 -0.695 12.034 1.00 0.00 C ATOM 0 H LEU B 11 38.533 -3.312 12.815 1.00 0.00 H new ATOM 0 HA LEU B 11 35.997 -2.466 13.705 1.00 0.00 H new ATOM 0 HB2 LEU B 11 37.335 -2.341 11.369 1.00 0.00 H new ATOM 0 HB3 LEU B 11 36.428 -3.802 11.033 1.00 0.00 H new ATOM 0 HG LEU B 11 35.111 -1.899 10.250 1.00 0.00 H new ATOM 0 HD11 LEU B 11 33.039 -2.164 11.578 1.00 0.00 H new ATOM 0 HD12 LEU B 11 33.826 -3.735 11.294 1.00 0.00 H new ATOM 0 HD13 LEU B 11 33.969 -2.942 12.881 1.00 0.00 H new ATOM 0 HD21 LEU B 11 34.440 -0.087 11.821 1.00 0.00 H new ATOM 0 HD22 LEU B 11 35.400 -0.852 13.110 1.00 0.00 H new ATOM 0 HD23 LEU B 11 36.211 -0.182 11.674 1.00 0.00 H new ATOM 476 N VAL B 12 36.411 -5.666 13.073 1.00 0.00 N ATOM 477 CA VAL B 12 35.802 -6.970 13.215 1.00 0.00 C ATOM 478 C VAL B 12 35.032 -7.074 14.531 1.00 0.00 C ATOM 479 O VAL B 12 33.812 -7.237 14.532 1.00 0.00 O ATOM 480 CB VAL B 12 36.876 -8.069 13.148 1.00 0.00 C ATOM 481 CG1 VAL B 12 36.257 -9.421 13.516 1.00 0.00 C ATOM 482 CG2 VAL B 12 37.444 -8.146 11.726 1.00 0.00 C ATOM 0 H VAL B 12 37.379 -5.678 12.751 1.00 0.00 H new ATOM 0 HA VAL B 12 35.099 -7.106 12.393 1.00 0.00 H new ATOM 0 HB VAL B 12 37.675 -7.831 13.850 1.00 0.00 H new ATOM 0 HG11 VAL B 12 37.021 -10.197 13.467 1.00 0.00 H new ATOM 0 HG12 VAL B 12 35.853 -9.373 14.527 1.00 0.00 H new ATOM 0 HG13 VAL B 12 35.456 -9.657 12.816 1.00 0.00 H new ATOM 0 HG21 VAL B 12 38.205 -8.925 11.680 1.00 0.00 H new ATOM 0 HG22 VAL B 12 36.642 -8.380 11.026 1.00 0.00 H new ATOM 0 HG23 VAL B 12 37.890 -7.187 11.460 1.00 0.00 H new ATOM 492 N GLU B 13 35.744 -6.966 15.646 1.00 0.00 N ATOM 493 CA GLU B 13 35.105 -7.060 16.956 1.00 0.00 C ATOM 494 C GLU B 13 34.170 -5.879 17.190 1.00 0.00 C ATOM 495 O GLU B 13 33.103 -6.026 17.790 1.00 0.00 O ATOM 496 CB GLU B 13 36.165 -7.114 18.065 1.00 0.00 C ATOM 497 CG GLU B 13 37.202 -6.013 17.847 1.00 0.00 C ATOM 498 CD GLU B 13 38.237 -6.458 16.818 1.00 0.00 C ATOM 499 OE1 GLU B 13 39.166 -7.148 17.202 1.00 0.00 O ATOM 500 OE2 GLU B 13 38.078 -6.107 15.662 1.00 0.00 O ATOM 0 H GLU B 13 36.752 -6.815 15.672 1.00 0.00 H new ATOM 0 HA GLU B 13 34.517 -7.978 16.980 1.00 0.00 H new ATOM 0 HB2 GLU B 13 35.691 -6.992 19.039 1.00 0.00 H new ATOM 0 HB3 GLU B 13 36.652 -8.089 18.067 1.00 0.00 H new ATOM 0 HG2 GLU B 13 36.709 -5.102 17.507 1.00 0.00 H new ATOM 0 HG3 GLU B 13 37.695 -5.776 18.790 1.00 0.00 H new ATOM 507 N ALA B 14 34.575 -4.707 16.715 1.00 0.00 N ATOM 508 CA ALA B 14 33.775 -3.506 16.878 1.00 0.00 C ATOM 509 C ALA B 14 32.498 -3.581 16.046 1.00 0.00 C ATOM 510 O ALA B 14 31.549 -2.836 16.286 1.00 0.00 O ATOM 511 CB ALA B 14 34.591 -2.284 16.456 1.00 0.00 C ATOM 0 H ALA B 14 35.453 -4.566 16.215 1.00 0.00 H new ATOM 0 HA ALA B 14 33.496 -3.420 17.928 1.00 0.00 H new ATOM 0 HB1 ALA B 14 33.989 -1.384 16.579 1.00 0.00 H new ATOM 0 HB2 ALA B 14 35.484 -2.211 17.077 1.00 0.00 H new ATOM 0 HB3 ALA B 14 34.883 -2.385 15.411 1.00 0.00 H new ATOM 517 N LEU B 15 32.487 -4.467 15.056 1.00 0.00 N ATOM 518 CA LEU B 15 31.320 -4.605 14.190 1.00 0.00 C ATOM 519 C LEU B 15 30.095 -5.043 14.976 1.00 0.00 C ATOM 520 O LEU B 15 29.011 -4.499 14.784 1.00 0.00 O ATOM 521 CB LEU B 15 31.599 -5.633 13.084 1.00 0.00 C ATOM 522 CG LEU B 15 30.377 -5.734 12.150 1.00 0.00 C ATOM 523 CD1 LEU B 15 30.113 -4.371 11.496 1.00 0.00 C ATOM 524 CD2 LEU B 15 30.632 -6.795 11.056 1.00 0.00 C ATOM 0 H LEU B 15 33.261 -5.093 14.834 1.00 0.00 H new ATOM 0 HA LEU B 15 31.122 -3.628 13.749 1.00 0.00 H new ATOM 0 HB2 LEU B 15 32.481 -5.339 12.515 1.00 0.00 H new ATOM 0 HB3 LEU B 15 31.814 -6.607 13.525 1.00 0.00 H new ATOM 0 HG LEU B 15 29.506 -6.030 12.735 1.00 0.00 H new ATOM 0 HD11 LEU B 15 29.249 -4.445 10.836 1.00 0.00 H new ATOM 0 HD12 LEU B 15 29.916 -3.628 12.269 1.00 0.00 H new ATOM 0 HD13 LEU B 15 30.986 -4.070 10.917 1.00 0.00 H new ATOM 0 HD21 LEU B 15 29.763 -6.859 10.401 1.00 0.00 H new ATOM 0 HD22 LEU B 15 31.507 -6.511 10.471 1.00 0.00 H new ATOM 0 HD23 LEU B 15 30.806 -7.764 11.523 1.00 0.00 H new ATOM 536 N TYR B 16 30.260 -6.042 15.842 1.00 0.00 N ATOM 537 CA TYR B 16 29.134 -6.546 16.615 1.00 0.00 C ATOM 538 C TYR B 16 28.926 -5.752 17.909 1.00 0.00 C ATOM 539 O TYR B 16 27.790 -5.596 18.354 1.00 0.00 O ATOM 540 CB TYR B 16 29.334 -8.040 16.936 1.00 0.00 C ATOM 541 CG TYR B 16 30.213 -8.220 18.152 1.00 0.00 C ATOM 542 CD1 TYR B 16 31.602 -8.156 18.027 1.00 0.00 C ATOM 543 CD2 TYR B 16 29.630 -8.446 19.405 1.00 0.00 C ATOM 544 CE1 TYR B 16 32.411 -8.316 19.152 1.00 0.00 C ATOM 545 CE2 TYR B 16 30.439 -8.608 20.529 1.00 0.00 C ATOM 546 CZ TYR B 16 31.832 -8.542 20.405 1.00 0.00 C ATOM 547 OH TYR B 16 32.632 -8.703 21.517 1.00 0.00 O ATOM 0 H TYR B 16 31.148 -6.510 16.022 1.00 0.00 H new ATOM 0 HA TYR B 16 28.238 -6.423 16.006 1.00 0.00 H new ATOM 0 HB2 TYR B 16 28.366 -8.511 17.109 1.00 0.00 H new ATOM 0 HB3 TYR B 16 29.784 -8.542 16.080 1.00 0.00 H new ATOM 0 HD1 TYR B 16 32.050 -7.983 17.060 1.00 0.00 H new ATOM 0 HD2 TYR B 16 28.555 -8.495 19.501 1.00 0.00 H new ATOM 0 HE1 TYR B 16 33.485 -8.265 19.055 1.00 0.00 H new ATOM 0 HE2 TYR B 16 29.991 -8.784 21.496 1.00 0.00 H new ATOM 0 HH TYR B 16 32.070 -8.850 22.306 1.00 0.00 H new ATOM 557 N LEU B 17 30.017 -5.286 18.530 1.00 0.00 N ATOM 558 CA LEU B 17 29.897 -4.554 19.784 1.00 0.00 C ATOM 559 C LEU B 17 29.113 -3.249 19.620 1.00 0.00 C ATOM 560 O LEU B 17 28.229 -2.957 20.423 1.00 0.00 O ATOM 561 CB LEU B 17 31.300 -4.263 20.388 1.00 0.00 C ATOM 562 CG LEU B 17 31.161 -3.463 21.695 1.00 0.00 C ATOM 563 CD1 LEU B 17 30.246 -4.214 22.680 1.00 0.00 C ATOM 564 CD2 LEU B 17 32.554 -3.248 22.337 1.00 0.00 C ATOM 0 H LEU B 17 30.971 -5.402 18.189 1.00 0.00 H new ATOM 0 HA LEU B 17 29.337 -5.190 20.470 1.00 0.00 H new ATOM 0 HB2 LEU B 17 31.822 -5.200 20.581 1.00 0.00 H new ATOM 0 HB3 LEU B 17 31.903 -3.703 19.673 1.00 0.00 H new ATOM 0 HG LEU B 17 30.719 -2.493 21.466 1.00 0.00 H new ATOM 0 HD11 LEU B 17 30.154 -3.639 23.602 1.00 0.00 H new ATOM 0 HD12 LEU B 17 29.260 -4.344 22.234 1.00 0.00 H new ATOM 0 HD13 LEU B 17 30.675 -5.191 22.903 1.00 0.00 H new ATOM 0 HD21 LEU B 17 32.445 -2.681 23.261 1.00 0.00 H new ATOM 0 HD22 LEU B 17 33.007 -4.215 22.556 1.00 0.00 H new ATOM 0 HD23 LEU B 17 33.192 -2.697 21.646 1.00 0.00 H new ATOM 576 N VAL B 18 29.439 -2.466 18.588 1.00 0.00 N ATOM 577 CA VAL B 18 28.759 -1.197 18.353 1.00 0.00 C ATOM 578 C VAL B 18 27.319 -1.424 17.908 1.00 0.00 C ATOM 579 O VAL B 18 26.399 -0.789 18.418 1.00 0.00 O ATOM 580 CB VAL B 18 29.508 -0.381 17.290 1.00 0.00 C ATOM 581 CG1 VAL B 18 29.266 -0.995 15.911 1.00 0.00 C ATOM 582 CG2 VAL B 18 29.001 1.066 17.307 1.00 0.00 C ATOM 0 H VAL B 18 30.165 -2.690 17.908 1.00 0.00 H new ATOM 0 HA VAL B 18 28.748 -0.642 19.291 1.00 0.00 H new ATOM 0 HB VAL B 18 30.576 -0.393 17.507 1.00 0.00 H new ATOM 0 HG11 VAL B 18 29.798 -0.416 15.156 1.00 0.00 H new ATOM 0 HG12 VAL B 18 29.629 -2.023 15.902 1.00 0.00 H new ATOM 0 HG13 VAL B 18 28.199 -0.985 15.690 1.00 0.00 H new ATOM 0 HG21 VAL B 18 29.532 1.647 16.553 1.00 0.00 H new ATOM 0 HG22 VAL B 18 27.933 1.080 17.090 1.00 0.00 H new ATOM 0 HG23 VAL B 18 29.177 1.502 18.290 1.00 0.00 H new ATOM 592 N CYS B 19 27.134 -2.336 16.954 1.00 0.00 N ATOM 593 CA CYS B 19 25.804 -2.644 16.432 1.00 0.00 C ATOM 594 C CYS B 19 25.633 -4.157 16.296 1.00 0.00 C ATOM 595 O CYS B 19 26.591 -4.908 16.438 1.00 0.00 O ATOM 596 CB CYS B 19 25.608 -1.963 15.067 1.00 0.00 C ATOM 597 SG CYS B 19 25.036 -0.261 15.320 1.00 0.00 S ATOM 0 H CYS B 19 27.888 -2.874 16.527 1.00 0.00 H new ATOM 0 HA CYS B 19 25.053 -2.267 17.126 1.00 0.00 H new ATOM 0 HB2 CYS B 19 26.545 -1.965 14.510 1.00 0.00 H new ATOM 0 HB3 CYS B 19 24.882 -2.518 14.472 1.00 0.00 H new ATOM 602 N GLY B 20 24.404 -4.590 16.029 1.00 0.00 N ATOM 603 CA GLY B 20 24.108 -6.012 15.882 1.00 0.00 C ATOM 604 C GLY B 20 24.007 -6.691 17.243 1.00 0.00 C ATOM 605 O GLY B 20 24.131 -7.910 17.353 1.00 0.00 O ATOM 0 H GLY B 20 23.597 -3.977 15.910 1.00 0.00 H new ATOM 0 HA2 GLY B 20 23.172 -6.138 15.338 1.00 0.00 H new ATOM 0 HA3 GLY B 20 24.888 -6.490 15.290 1.00 0.00 H new ATOM 609 N GLU B 21 23.782 -5.889 18.279 1.00 0.00 N ATOM 610 CA GLU B 21 23.666 -6.417 19.633 1.00 0.00 C ATOM 611 C GLU B 21 22.471 -7.357 19.742 1.00 0.00 C ATOM 612 O GLU B 21 22.551 -8.406 20.381 1.00 0.00 O ATOM 613 CB GLU B 21 23.500 -5.266 20.629 1.00 0.00 C ATOM 614 CG GLU B 21 24.794 -4.453 20.688 1.00 0.00 C ATOM 615 CD GLU B 21 24.620 -3.251 21.612 1.00 0.00 C ATOM 616 OE1 GLU B 21 23.563 -3.135 22.211 1.00 0.00 O ATOM 617 OE2 GLU B 21 25.547 -2.463 21.708 1.00 0.00 O ATOM 0 H GLU B 21 23.677 -4.877 18.207 1.00 0.00 H new ATOM 0 HA GLU B 21 24.575 -6.973 19.864 1.00 0.00 H new ATOM 0 HB2 GLU B 21 22.670 -4.627 20.328 1.00 0.00 H new ATOM 0 HB3 GLU B 21 23.259 -5.658 21.617 1.00 0.00 H new ATOM 0 HG2 GLU B 21 25.610 -5.081 21.046 1.00 0.00 H new ATOM 0 HG3 GLU B 21 25.066 -4.116 19.688 1.00 0.00 H new ATOM 624 N ARG B 22 21.363 -6.973 19.114 1.00 0.00 N ATOM 625 CA ARG B 22 20.149 -7.786 19.141 1.00 0.00 C ATOM 626 C ARG B 22 19.924 -8.369 20.534 1.00 0.00 C ATOM 627 O ARG B 22 19.262 -9.394 20.692 1.00 0.00 O ATOM 628 CB ARG B 22 20.264 -8.926 18.120 1.00 0.00 C ATOM 629 CG ARG B 22 20.567 -8.364 16.721 1.00 0.00 C ATOM 630 CD ARG B 22 19.293 -7.786 16.095 1.00 0.00 C ATOM 631 NE ARG B 22 19.542 -7.437 14.701 1.00 0.00 N ATOM 632 CZ ARG B 22 18.750 -6.594 14.051 1.00 0.00 C ATOM 633 NH1 ARG B 22 17.830 -5.932 14.698 1.00 0.00 N ATOM 634 NH2 ARG B 22 18.888 -6.431 12.764 1.00 0.00 N ATOM 0 H ARG B 22 21.280 -6.107 18.582 1.00 0.00 H new ATOM 0 HA ARG B 22 19.301 -7.151 18.885 1.00 0.00 H new ATOM 0 HB2 ARG B 22 21.054 -9.614 18.421 1.00 0.00 H new ATOM 0 HB3 ARG B 22 19.336 -9.497 18.096 1.00 0.00 H new ATOM 0 HG2 ARG B 22 21.331 -7.589 16.790 1.00 0.00 H new ATOM 0 HG3 ARG B 22 20.969 -9.152 16.084 1.00 0.00 H new ATOM 0 HD2 ARG B 22 18.483 -8.513 16.158 1.00 0.00 H new ATOM 0 HD3 ARG B 22 18.973 -6.903 16.649 1.00 0.00 H new ATOM 0 HE ARG B 22 20.340 -7.849 14.217 1.00 0.00 H new ATOM 0 HH11 ARG B 22 17.720 -6.063 15.704 1.00 0.00 H new ATOM 0 HH12 ARG B 22 17.221 -5.284 14.198 1.00 0.00 H new ATOM 0 HH21 ARG B 22 19.604 -6.952 12.258 1.00 0.00 H new ATOM 0 HH22 ARG B 22 18.279 -5.783 12.264 1.00 0.00 H new ATOM 648 N GLY B 23 20.477 -7.703 21.541 1.00 0.00 N ATOM 649 CA GLY B 23 20.329 -8.163 22.916 1.00 0.00 C ATOM 650 C GLY B 23 20.910 -9.566 23.085 1.00 0.00 C ATOM 651 O GLY B 23 22.069 -9.811 22.742 1.00 0.00 O ATOM 0 H GLY B 23 21.027 -6.851 21.433 1.00 0.00 H new ATOM 0 HA2 GLY B 23 20.833 -7.472 23.592 1.00 0.00 H new ATOM 0 HA3 GLY B 23 19.274 -8.166 23.192 1.00 0.00 H new ATOM 655 N PHE B 24 20.099 -10.488 23.615 1.00 0.00 N ATOM 656 CA PHE B 24 20.536 -11.872 23.824 1.00 0.00 C ATOM 657 C PHE B 24 19.789 -12.812 22.883 1.00 0.00 C ATOM 658 O PHE B 24 19.719 -14.011 23.120 1.00 0.00 O ATOM 659 CB PHE B 24 20.277 -12.314 25.276 1.00 0.00 C ATOM 660 CG PHE B 24 20.877 -13.674 25.491 1.00 0.00 C ATOM 661 CD1 PHE B 24 22.235 -13.787 25.762 1.00 0.00 C ATOM 662 CD2 PHE B 24 20.078 -14.816 25.410 1.00 0.00 C ATOM 663 CE1 PHE B 24 22.802 -15.042 25.953 1.00 0.00 C ATOM 664 CE2 PHE B 24 20.639 -16.069 25.597 1.00 0.00 C ATOM 665 CZ PHE B 24 22.002 -16.185 25.867 1.00 0.00 C ATOM 0 H PHE B 24 19.139 -10.301 23.906 1.00 0.00 H new ATOM 0 HA PHE B 24 21.605 -11.917 23.619 1.00 0.00 H new ATOM 0 HB2 PHE B 24 20.713 -11.597 25.971 1.00 0.00 H new ATOM 0 HB3 PHE B 24 19.206 -12.340 25.476 1.00 0.00 H new ATOM 0 HD1 PHE B 24 22.849 -12.901 25.824 1.00 0.00 H new ATOM 0 HD2 PHE B 24 19.022 -14.723 25.202 1.00 0.00 H new ATOM 0 HE1 PHE B 24 23.857 -15.133 26.167 1.00 0.00 H new ATOM 0 HE2 PHE B 24 20.022 -16.953 25.534 1.00 0.00 H new ATOM 0 HZ PHE B 24 22.441 -17.161 26.010 1.00 0.00 H new ATOM 675 N PHE B 25 19.211 -12.267 21.819 1.00 0.00 N ATOM 676 CA PHE B 25 18.445 -13.102 20.908 1.00 0.00 C ATOM 677 C PHE B 25 19.303 -14.259 20.403 1.00 0.00 C ATOM 678 O PHE B 25 20.272 -14.066 19.670 1.00 0.00 O ATOM 679 CB PHE B 25 17.982 -12.252 19.720 1.00 0.00 C ATOM 680 CG PHE B 25 16.620 -11.675 20.014 1.00 0.00 C ATOM 681 CD1 PHE B 25 15.507 -12.097 19.277 1.00 0.00 C ATOM 682 CD2 PHE B 25 16.472 -10.722 21.027 1.00 0.00 C ATOM 683 CE1 PHE B 25 14.246 -11.566 19.554 1.00 0.00 C ATOM 684 CE2 PHE B 25 15.210 -10.192 21.304 1.00 0.00 C ATOM 685 CZ PHE B 25 14.099 -10.611 20.567 1.00 0.00 C ATOM 0 H PHE B 25 19.256 -11.278 21.572 1.00 0.00 H new ATOM 0 HA PHE B 25 17.582 -13.509 21.434 1.00 0.00 H new ATOM 0 HB2 PHE B 25 18.696 -11.450 19.533 1.00 0.00 H new ATOM 0 HB3 PHE B 25 17.943 -12.861 18.817 1.00 0.00 H new ATOM 0 HD1 PHE B 25 15.624 -12.833 18.495 1.00 0.00 H new ATOM 0 HD2 PHE B 25 17.332 -10.397 21.594 1.00 0.00 H new ATOM 0 HE1 PHE B 25 13.386 -11.891 18.988 1.00 0.00 H new ATOM 0 HE2 PHE B 25 15.093 -9.458 22.088 1.00 0.00 H new ATOM 0 HZ PHE B 25 13.124 -10.197 20.780 1.00 0.00 H new ATOM 695 N TYR B 26 18.907 -15.468 20.796 1.00 0.00 N ATOM 696 CA TYR B 26 19.621 -16.684 20.396 1.00 0.00 C ATOM 697 C TYR B 26 18.911 -17.351 19.225 1.00 0.00 C ATOM 698 O TYR B 26 17.768 -17.787 19.354 1.00 0.00 O ATOM 699 CB TYR B 26 19.678 -17.655 21.583 1.00 0.00 C ATOM 700 CG TYR B 26 20.437 -18.903 21.188 1.00 0.00 C ATOM 701 CD1 TYR B 26 21.836 -18.920 21.234 1.00 0.00 C ATOM 702 CD2 TYR B 26 19.739 -20.045 20.776 1.00 0.00 C ATOM 703 CE1 TYR B 26 22.535 -20.073 20.868 1.00 0.00 C ATOM 704 CE2 TYR B 26 20.436 -21.197 20.411 1.00 0.00 C ATOM 705 CZ TYR B 26 21.836 -21.215 20.456 1.00 0.00 C ATOM 706 OH TYR B 26 22.524 -22.355 20.094 1.00 0.00 O ATOM 0 H TYR B 26 18.096 -15.634 21.391 1.00 0.00 H new ATOM 0 HA TYR B 26 20.633 -16.418 20.089 1.00 0.00 H new ATOM 0 HB2 TYR B 26 20.164 -17.176 22.433 1.00 0.00 H new ATOM 0 HB3 TYR B 26 18.668 -17.917 21.899 1.00 0.00 H new ATOM 0 HD1 TYR B 26 22.376 -18.041 21.553 1.00 0.00 H new ATOM 0 HD2 TYR B 26 18.660 -20.034 20.741 1.00 0.00 H new ATOM 0 HE1 TYR B 26 23.614 -20.084 20.903 1.00 0.00 H new ATOM 0 HE2 TYR B 26 19.895 -22.076 20.093 1.00 0.00 H new ATOM 0 HH TYR B 26 21.887 -23.053 19.836 1.00 0.00 H new ATOM 716 N THR B 27 19.590 -17.430 18.081 1.00 0.00 N ATOM 717 CA THR B 27 18.998 -18.049 16.897 1.00 0.00 C ATOM 718 C THR B 27 20.096 -18.425 15.883 1.00 0.00 C ATOM 719 O THR B 27 21.185 -17.855 15.931 1.00 0.00 O ATOM 720 CB THR B 27 18.003 -17.079 16.246 1.00 0.00 C ATOM 721 OG1 THR B 27 17.939 -17.334 14.852 1.00 0.00 O ATOM 722 CG2 THR B 27 18.455 -15.634 16.478 1.00 0.00 C ATOM 0 H THR B 27 20.538 -17.078 17.950 1.00 0.00 H new ATOM 0 HA THR B 27 18.474 -18.955 17.201 1.00 0.00 H new ATOM 0 HB THR B 27 17.019 -17.223 16.692 1.00 0.00 H new ATOM 0 HG1 THR B 27 17.303 -16.716 14.435 1.00 0.00 H new ATOM 0 HG21 THR B 27 17.744 -14.951 16.013 1.00 0.00 H new ATOM 0 HG22 THR B 27 18.502 -15.435 17.549 1.00 0.00 H new ATOM 0 HG23 THR B 27 19.441 -15.486 16.038 1.00 0.00 H new ATOM 730 N PRO B 28 19.857 -19.359 14.972 1.00 0.00 N ATOM 731 CA PRO B 28 20.880 -19.749 13.955 1.00 0.00 C ATOM 732 C PRO B 28 21.092 -18.652 12.904 1.00 0.00 C ATOM 733 O PRO B 28 20.143 -17.975 12.507 1.00 0.00 O ATOM 734 CB PRO B 28 20.332 -21.040 13.307 1.00 0.00 C ATOM 735 CG PRO B 28 19.039 -21.370 14.007 1.00 0.00 C ATOM 736 CD PRO B 28 18.618 -20.145 14.818 1.00 0.00 C ATOM 0 HA PRO B 28 21.857 -19.901 14.415 1.00 0.00 H new ATOM 0 HB2 PRO B 28 20.166 -20.895 12.239 1.00 0.00 H new ATOM 0 HB3 PRO B 28 21.046 -21.857 13.411 1.00 0.00 H new ATOM 0 HG2 PRO B 28 18.268 -21.631 13.282 1.00 0.00 H new ATOM 0 HG3 PRO B 28 19.168 -22.234 14.659 1.00 0.00 H new ATOM 0 HD2 PRO B 28 17.847 -19.573 14.302 1.00 0.00 H new ATOM 0 HD3 PRO B 28 18.207 -20.432 15.786 1.00 0.00 H new ATOM 744 N LYS B 29 22.333 -18.502 12.451 1.00 0.00 N ATOM 745 CA LYS B 29 22.678 -17.513 11.444 1.00 0.00 C ATOM 746 C LYS B 29 23.864 -18.006 10.620 1.00 0.00 C ATOM 747 O LYS B 29 25.012 -17.661 10.898 1.00 0.00 O ATOM 748 CB LYS B 29 23.031 -16.182 12.126 1.00 0.00 C ATOM 749 CG LYS B 29 23.345 -15.110 11.070 1.00 0.00 C ATOM 750 CD LYS B 29 23.628 -13.754 11.744 1.00 0.00 C ATOM 751 CE LYS B 29 23.894 -12.699 10.667 1.00 0.00 C ATOM 752 NZ LYS B 29 25.078 -13.102 9.856 1.00 0.00 N ATOM 0 H LYS B 29 23.123 -19.062 12.772 1.00 0.00 H new ATOM 0 HA LYS B 29 21.825 -17.361 10.782 1.00 0.00 H new ATOM 0 HB2 LYS B 29 22.201 -15.854 12.751 1.00 0.00 H new ATOM 0 HB3 LYS B 29 23.890 -16.318 12.783 1.00 0.00 H new ATOM 0 HG2 LYS B 29 24.208 -15.416 10.479 1.00 0.00 H new ATOM 0 HG3 LYS B 29 22.505 -15.012 10.382 1.00 0.00 H new ATOM 0 HD2 LYS B 29 22.779 -13.456 12.359 1.00 0.00 H new ATOM 0 HD3 LYS B 29 24.488 -13.837 12.408 1.00 0.00 H new ATOM 0 HE2 LYS B 29 23.020 -12.592 10.025 1.00 0.00 H new ATOM 0 HE3 LYS B 29 24.071 -11.728 11.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 25.676 -12.270 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 25.626 -13.818 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 24.759 -13.500 8.950 1.00 0.00 H new ATOM 766 N ALA B 30 23.572 -18.821 9.611 1.00 0.00 N ATOM 767 CA ALA B 30 24.626 -19.368 8.742 1.00 0.00 C ATOM 768 C ALA B 30 25.735 -19.995 9.580 1.00 0.00 C ATOM 769 O ALA B 30 25.420 -20.815 10.426 1.00 0.00 O ATOM 770 CB ALA B 30 25.215 -18.258 7.868 1.00 0.00 C ATOM 771 OXT ALA B 30 26.883 -19.646 9.362 1.00 0.00 O ATOM 0 H ALA B 30 22.627 -19.119 9.371 1.00 0.00 H new ATOM 0 HA ALA B 30 24.184 -20.135 8.106 1.00 0.00 H new ATOM 0 HB1 ALA B 30 25.994 -18.673 7.229 1.00 0.00 H new ATOM 0 HB2 ALA B 30 24.429 -17.827 7.248 1.00 0.00 H new ATOM 0 HB3 ALA B 30 25.642 -17.482 8.504 1.00 0.00 H new TER 777 ALA B 30