USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 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 14 GLN : amide:sc= -3.69! C(o=-6.1!,f=-6.6!) USER MOD Set 1.2: B 1 ALA N :NH3+ -114:sc= -2.42! (180deg=-4.26!) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= -1.35 USER MOD Set 2.2: A 35 LYS NZ :NH3+ 177:sc= 1 (180deg=0.949) USER MOD Single : A 1 ALA N :NH3+ -168:sc= 0 (180deg=-0.134) USER MOD Single : A 2 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -4.24! (180deg=-4.56!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -129:sc= -7.09! (180deg=-8.94!) USER MOD Single : A 36 GLN : amide:sc= -3.6 K(o=-3.6,f=-1.7) USER MOD Single : B 2 ASN : amide:sc= -0.983 K(o=-0.98,f=-0.43) USER MOD Single : B 7 TYR OH : rot 180:sc= -0.0652 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -2.02 X(o=-2,f=-2.3!) USER MOD Single : B 17 LYS NZ :NH3+ -157:sc= -2.08! (180deg=-3.45!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl 149:sc= -7.19! (180deg=-10.5!) USER MOD Single : B 35 LYS NZ :NH3+ 143:sc= 0.489 (180deg=0.0432) USER MOD Single : B 36 GLN : amide:sc= -2.05! K(o=-2.1!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.131 0.098 0.185 1.00 1.13 N ATOM 2 CA ALA A 1 1.823 0.032 -1.090 1.00 21.50 C ATOM 3 C ALA A 1 2.952 1.064 -1.108 1.00 21.31 C ATOM 4 O ALA A 1 4.071 0.759 -1.518 1.00 51.31 O ATOM 5 CB ALA A 1 0.821 0.244 -2.227 1.00 43.10 C ATOM 0 H1 ALA A 1 0.504 -0.726 0.283 1.00 1.13 H new ATOM 0 H2 ALA A 1 1.827 0.097 0.958 1.00 1.13 H new ATOM 0 H3 ALA A 1 0.566 0.970 0.229 1.00 1.13 H new ATOM 0 HA ALA A 1 2.273 -0.951 -1.231 1.00 21.50 H new ATOM 0 HB1 ALA A 1 1.341 0.194 -3.184 1.00 43.10 H new ATOM 0 HB2 ALA A 1 0.057 -0.533 -2.188 1.00 43.10 H new ATOM 0 HB3 ALA A 1 0.351 1.221 -2.120 1.00 43.10 H new ATOM 11 N ASN A 2 2.619 2.265 -0.657 1.00 44.22 N ATOM 12 CA ASN A 2 3.592 3.344 -0.615 1.00 43.44 C ATOM 13 C ASN A 2 3.955 3.753 -2.045 1.00 20.32 C ATOM 14 O ASN A 2 4.283 2.905 -2.872 1.00 4.02 O ATOM 15 CB ASN A 2 4.876 2.902 0.090 1.00 13.24 C ATOM 16 CG ASN A 2 4.584 2.437 1.519 1.00 50.21 C ATOM 17 OD1 ASN A 2 3.449 2.392 1.965 1.00 43.31 O ATOM 18 ND2 ASN A 2 5.668 2.096 2.208 1.00 13.12 N ATOM 0 H ASN A 2 1.690 2.514 -0.318 1.00 44.22 H new ATOM 0 HA ASN A 2 3.149 4.176 -0.068 1.00 43.44 H new ATOM 0 HB2 ASN A 2 5.343 2.093 -0.471 1.00 13.24 H new ATOM 0 HB3 ASN A 2 5.587 3.728 0.110 1.00 13.24 H new ATOM 0 HD21 ASN A 2 5.579 1.773 3.171 1.00 13.12 H new ATOM 0 HD22 ASN A 2 6.589 2.158 1.773 1.00 13.12 H new ATOM 25 N GLU A 3 3.882 5.053 -2.291 1.00 2.12 N ATOM 26 CA GLU A 3 4.200 5.585 -3.604 1.00 55.24 C ATOM 27 C GLU A 3 5.625 5.198 -4.004 1.00 50.43 C ATOM 28 O GLU A 3 6.485 5.014 -3.145 1.00 63.43 O ATOM 29 CB GLU A 3 4.012 7.102 -3.642 1.00 53.43 C ATOM 30 CG GLU A 3 4.416 7.672 -5.004 1.00 30.03 C ATOM 31 CD GLU A 3 4.371 9.201 -4.993 1.00 50.43 C ATOM 32 OE1 GLU A 3 3.303 9.789 -4.771 1.00 33.20 O ATOM 33 OE2 GLU A 3 5.500 9.781 -5.227 1.00 55.05 O ATOM 0 H GLU A 3 3.607 5.753 -1.602 1.00 2.12 H new ATOM 0 HA GLU A 3 3.510 5.149 -4.327 1.00 55.24 H new ATOM 0 HB2 GLU A 3 2.970 7.348 -3.436 1.00 53.43 H new ATOM 0 HB3 GLU A 3 4.611 7.566 -2.858 1.00 53.43 H new ATOM 0 HG2 GLU A 3 5.421 7.336 -5.259 1.00 30.03 H new ATOM 0 HG3 GLU A 3 3.747 7.290 -5.775 1.00 30.03 H new ATOM 40 N GLY A 4 5.830 5.086 -5.308 1.00 44.43 N ATOM 41 CA GLY A 4 7.136 4.725 -5.832 1.00 31.11 C ATOM 42 C GLY A 4 7.333 3.208 -5.816 1.00 71.04 C ATOM 43 O GLY A 4 8.436 2.719 -6.053 1.00 63.21 O ATOM 0 H GLY A 4 5.113 5.239 -6.017 1.00 44.43 H new ATOM 0 HA2 GLY A 4 7.239 5.098 -6.851 1.00 31.11 H new ATOM 0 HA3 GLY A 4 7.915 5.203 -5.238 1.00 31.11 H new ATOM 47 N ASP A 5 6.246 2.505 -5.535 1.00 32.35 N ATOM 48 CA ASP A 5 6.284 1.053 -5.484 1.00 4.25 C ATOM 49 C ASP A 5 5.697 0.487 -6.778 1.00 44.01 C ATOM 50 O ASP A 5 4.828 1.103 -7.392 1.00 63.43 O ATOM 51 CB ASP A 5 5.453 0.520 -4.315 1.00 40.41 C ATOM 52 CG ASP A 5 6.187 0.462 -2.974 1.00 30.13 C ATOM 53 OD1 ASP A 5 6.662 1.588 -2.563 1.00 4.30 O ATOM 54 OD2 ASP A 5 6.299 -0.605 -2.352 1.00 74.12 O ATOM 0 H ASP A 5 5.332 2.914 -5.340 1.00 32.35 H new ATOM 0 HA ASP A 5 7.322 0.747 -5.356 1.00 4.25 H new ATOM 0 HB2 ASP A 5 4.569 1.147 -4.201 1.00 40.41 H new ATOM 0 HB3 ASP A 5 5.103 -0.482 -4.564 1.00 40.41 H new ATOM 59 N VAL A 6 6.198 -0.681 -7.156 1.00 13.34 N ATOM 60 CA VAL A 6 5.734 -1.338 -8.365 1.00 71.13 C ATOM 61 C VAL A 6 5.061 -2.661 -7.996 1.00 72.23 C ATOM 62 O VAL A 6 5.559 -3.400 -7.149 1.00 20.02 O ATOM 63 CB VAL A 6 6.896 -1.511 -9.346 1.00 3.53 C ATOM 64 CG1 VAL A 6 6.641 -2.680 -10.299 1.00 52.21 C ATOM 65 CG2 VAL A 6 7.157 -0.218 -10.120 1.00 51.22 C ATOM 0 H VAL A 6 6.921 -1.188 -6.645 1.00 13.34 H new ATOM 0 HA VAL A 6 4.988 -0.724 -8.870 1.00 71.13 H new ATOM 0 HB VAL A 6 7.791 -1.741 -8.768 1.00 3.53 H new ATOM 0 HG11 VAL A 6 7.482 -2.780 -10.985 1.00 52.21 H new ATOM 0 HG12 VAL A 6 6.529 -3.600 -9.725 1.00 52.21 H new ATOM 0 HG13 VAL A 6 5.730 -2.494 -10.867 1.00 52.21 H new ATOM 0 HG21 VAL A 6 7.987 -0.368 -10.810 1.00 51.22 H new ATOM 0 HG22 VAL A 6 6.264 0.057 -10.681 1.00 51.22 H new ATOM 0 HG23 VAL A 6 7.406 0.580 -9.421 1.00 51.22 H new ATOM 75 N TYR A 7 3.939 -2.921 -8.652 1.00 12.01 N ATOM 76 CA TYR A 7 3.192 -4.142 -8.403 1.00 63.23 C ATOM 77 C TYR A 7 2.967 -4.921 -9.701 1.00 1.42 C ATOM 78 O TYR A 7 2.615 -4.339 -10.725 1.00 52.31 O ATOM 79 CB TYR A 7 1.837 -3.702 -7.846 1.00 12.13 C ATOM 80 CG TYR A 7 1.833 -3.465 -6.334 1.00 3.11 C ATOM 81 CD1 TYR A 7 2.594 -2.449 -5.793 1.00 10.10 C ATOM 82 CD2 TYR A 7 1.070 -4.269 -5.511 1.00 71.23 C ATOM 83 CE1 TYR A 7 2.590 -2.226 -4.370 1.00 25.11 C ATOM 84 CE2 TYR A 7 1.067 -4.047 -4.088 1.00 44.52 C ATOM 85 CZ TYR A 7 1.828 -3.035 -3.589 1.00 34.24 C ATOM 86 OH TYR A 7 1.825 -2.825 -2.244 1.00 53.01 O ATOM 0 H TYR A 7 3.529 -2.307 -9.356 1.00 12.01 H new ATOM 0 HA TYR A 7 3.736 -4.791 -7.716 1.00 63.23 H new ATOM 0 HB2 TYR A 7 1.530 -2.785 -8.348 1.00 12.13 H new ATOM 0 HB3 TYR A 7 1.093 -4.461 -8.086 1.00 12.13 H new ATOM 0 HD1 TYR A 7 3.192 -1.821 -6.436 1.00 10.10 H new ATOM 0 HD2 TYR A 7 0.475 -5.065 -5.934 1.00 71.23 H new ATOM 0 HE1 TYR A 7 3.180 -1.433 -3.934 1.00 25.11 H new ATOM 0 HE2 TYR A 7 0.475 -4.669 -3.433 1.00 44.52 H new ATOM 0 HH TYR A 7 1.235 -3.477 -1.812 1.00 53.01 H new ATOM 96 N LYS A 8 3.181 -6.226 -9.614 1.00 42.24 N ATOM 97 CA LYS A 8 3.006 -7.090 -10.769 1.00 24.01 C ATOM 98 C LYS A 8 1.774 -7.974 -10.558 1.00 4.41 C ATOM 99 O LYS A 8 1.280 -8.097 -9.439 1.00 33.22 O ATOM 100 CB LYS A 8 4.288 -7.878 -11.047 1.00 71.52 C ATOM 101 CG LYS A 8 4.347 -8.333 -12.508 1.00 14.34 C ATOM 102 CD LYS A 8 5.735 -8.870 -12.859 1.00 23.30 C ATOM 103 CE LYS A 8 5.707 -10.389 -13.038 1.00 33.45 C ATOM 104 NZ LYS A 8 7.045 -10.967 -12.786 1.00 4.22 N ATOM 0 H LYS A 8 3.474 -6.705 -8.763 1.00 42.24 H new ATOM 0 HA LYS A 8 2.823 -6.496 -11.665 1.00 24.01 H new ATOM 0 HB2 LYS A 8 5.156 -7.259 -10.820 1.00 71.52 H new ATOM 0 HB3 LYS A 8 4.335 -8.746 -10.390 1.00 71.52 H new ATOM 0 HG2 LYS A 8 3.599 -9.107 -12.682 1.00 14.34 H new ATOM 0 HG3 LYS A 8 4.100 -7.498 -13.163 1.00 14.34 H new ATOM 0 HD2 LYS A 8 6.090 -8.399 -13.776 1.00 23.30 H new ATOM 0 HD3 LYS A 8 6.441 -8.606 -12.071 1.00 23.30 H new ATOM 0 HE2 LYS A 8 4.980 -10.828 -12.354 1.00 33.45 H new ATOM 0 HE3 LYS A 8 5.383 -10.636 -14.049 1.00 33.45 H new ATOM 0 HZ1 LYS A 8 7.007 -11.999 -12.912 1.00 4.22 H new ATOM 0 HZ2 LYS A 8 7.730 -10.561 -13.455 1.00 4.22 H new ATOM 0 HZ3 LYS A 8 7.340 -10.748 -11.813 1.00 4.22 H new ATOM 117 N CYS A 9 1.315 -8.564 -11.652 1.00 10.31 N ATOM 118 CA CYS A 9 0.151 -9.431 -11.600 1.00 75.31 C ATOM 119 C CYS A 9 0.608 -10.824 -11.162 1.00 4.43 C ATOM 120 O CYS A 9 -0.174 -11.590 -10.600 1.00 44.13 O ATOM 121 CB CYS A 9 -0.586 -9.469 -12.940 1.00 53.32 C ATOM 122 SG CYS A 9 -2.011 -10.619 -13.001 1.00 61.51 S ATOM 0 H CYS A 9 1.728 -8.459 -12.579 1.00 10.31 H new ATOM 0 HA CYS A 9 -0.564 -9.040 -10.877 1.00 75.31 H new ATOM 0 HB2 CYS A 9 -0.938 -8.464 -13.174 1.00 53.32 H new ATOM 0 HB3 CYS A 9 0.122 -9.748 -13.720 1.00 53.32 H new ATOM 127 N GLU A 10 1.873 -11.110 -11.434 1.00 73.14 N ATOM 128 CA GLU A 10 2.444 -12.396 -11.075 1.00 61.22 C ATOM 129 C GLU A 10 1.765 -13.518 -11.865 1.00 25.03 C ATOM 130 O GLU A 10 1.942 -14.695 -11.554 1.00 75.15 O ATOM 131 CB GLU A 10 2.335 -12.644 -9.569 1.00 11.43 C ATOM 132 CG GLU A 10 3.584 -12.145 -8.840 1.00 73.02 C ATOM 133 CD GLU A 10 4.607 -13.270 -8.672 1.00 32.34 C ATOM 134 OE1 GLU A 10 4.227 -14.450 -8.616 1.00 43.03 O ATOM 135 OE2 GLU A 10 5.835 -12.884 -8.598 1.00 32.03 O ATOM 0 H GLU A 10 2.519 -10.472 -11.899 1.00 73.14 H new ATOM 0 HA GLU A 10 3.503 -12.385 -11.333 1.00 61.22 H new ATOM 0 HB2 GLU A 10 1.453 -12.137 -9.176 1.00 11.43 H new ATOM 0 HB3 GLU A 10 2.201 -13.709 -9.381 1.00 11.43 H new ATOM 0 HG2 GLU A 10 4.031 -11.323 -9.398 1.00 73.02 H new ATOM 0 HG3 GLU A 10 3.306 -11.752 -7.862 1.00 73.02 H new ATOM 142 N LEU A 11 1.003 -13.112 -12.871 1.00 4.23 N ATOM 143 CA LEU A 11 0.298 -14.068 -13.708 1.00 1.23 C ATOM 144 C LEU A 11 0.506 -13.701 -15.178 1.00 74.41 C ATOM 145 O LEU A 11 1.414 -14.217 -15.828 1.00 74.42 O ATOM 146 CB LEU A 11 -1.173 -14.155 -13.297 1.00 30.40 C ATOM 147 CG LEU A 11 -1.476 -15.010 -12.065 1.00 23.21 C ATOM 148 CD1 LEU A 11 -2.984 -15.116 -11.828 1.00 23.42 C ATOM 149 CD2 LEU A 11 -0.815 -16.386 -12.176 1.00 51.42 C ATOM 0 H LEU A 11 0.859 -12.135 -13.125 1.00 4.23 H new ATOM 0 HA LEU A 11 0.704 -15.070 -13.569 1.00 1.23 H new ATOM 0 HB2 LEU A 11 -1.538 -13.145 -13.112 1.00 30.40 H new ATOM 0 HB3 LEU A 11 -1.742 -14.551 -14.138 1.00 30.40 H new ATOM 0 HG LEU A 11 -1.047 -14.516 -11.193 1.00 23.21 H new ATOM 0 HD11 LEU A 11 -3.172 -15.729 -10.946 1.00 23.42 H new ATOM 0 HD12 LEU A 11 -3.399 -14.120 -11.672 1.00 23.42 H new ATOM 0 HD13 LEU A 11 -3.457 -15.575 -12.696 1.00 23.42 H new ATOM 0 HD21 LEU A 11 -1.046 -16.973 -11.287 1.00 51.42 H new ATOM 0 HD22 LEU A 11 -1.192 -16.901 -13.060 1.00 51.42 H new ATOM 0 HD23 LEU A 11 0.265 -16.265 -12.260 1.00 51.42 H new ATOM 161 N CYS A 12 -0.352 -12.814 -15.661 1.00 4.43 N ATOM 162 CA CYS A 12 -0.274 -12.373 -17.043 1.00 55.21 C ATOM 163 C CYS A 12 1.131 -11.820 -17.293 1.00 32.33 C ATOM 164 O CYS A 12 1.716 -12.059 -18.347 1.00 43.25 O ATOM 165 CB CYS A 12 -1.358 -11.344 -17.371 1.00 11.05 C ATOM 166 SG CYS A 12 -1.309 -9.826 -16.350 1.00 33.24 S ATOM 0 H CYS A 12 -1.105 -12.389 -15.120 1.00 4.43 H new ATOM 0 HA CYS A 12 -0.454 -13.218 -17.707 1.00 55.21 H new ATOM 0 HB2 CYS A 12 -1.267 -11.063 -18.420 1.00 11.05 H new ATOM 0 HB3 CYS A 12 -2.334 -11.814 -17.251 1.00 11.05 H new ATOM 171 N GLY A 13 1.630 -11.093 -16.304 1.00 25.21 N ATOM 172 CA GLY A 13 2.956 -10.505 -16.404 1.00 13.31 C ATOM 173 C GLY A 13 2.870 -8.989 -16.586 1.00 11.32 C ATOM 174 O GLY A 13 3.682 -8.398 -17.297 1.00 35.44 O ATOM 0 H GLY A 13 1.141 -10.898 -15.430 1.00 25.21 H new ATOM 0 HA2 GLY A 13 3.529 -10.735 -15.506 1.00 13.31 H new ATOM 0 HA3 GLY A 13 3.491 -10.946 -17.245 1.00 13.31 H new ATOM 178 N GLN A 14 1.878 -8.401 -15.933 1.00 1.33 N ATOM 179 CA GLN A 14 1.676 -6.964 -16.014 1.00 52.23 C ATOM 180 C GLN A 14 2.335 -6.267 -14.822 1.00 54.33 C ATOM 181 O GLN A 14 2.153 -6.681 -13.678 1.00 40.13 O ATOM 182 CB GLN A 14 0.187 -6.624 -16.094 1.00 12.44 C ATOM 183 CG GLN A 14 -0.042 -5.120 -15.930 1.00 50.12 C ATOM 184 CD GLN A 14 -1.115 -4.619 -16.899 1.00 21.11 C ATOM 185 OE1 GLN A 14 -0.868 -3.802 -17.771 1.00 33.01 O ATOM 186 NE2 GLN A 14 -2.316 -5.154 -16.699 1.00 42.32 N ATOM 0 H GLN A 14 1.205 -8.894 -15.345 1.00 1.33 H new ATOM 0 HA GLN A 14 2.147 -6.601 -16.927 1.00 52.23 H new ATOM 0 HB2 GLN A 14 -0.214 -6.954 -17.052 1.00 12.44 H new ATOM 0 HB3 GLN A 14 -0.355 -7.165 -15.318 1.00 12.44 H new ATOM 0 HG2 GLN A 14 -0.344 -4.904 -14.905 1.00 50.12 H new ATOM 0 HG3 GLN A 14 0.891 -4.585 -16.107 1.00 50.12 H new ATOM 0 HE21 GLN A 14 -2.454 -5.833 -15.950 1.00 42.32 H new ATOM 0 HE22 GLN A 14 -3.099 -4.885 -17.294 1.00 42.32 H new ATOM 195 N VAL A 15 3.086 -5.221 -15.131 1.00 44.41 N ATOM 196 CA VAL A 15 3.773 -4.462 -14.100 1.00 2.20 C ATOM 197 C VAL A 15 3.304 -3.006 -14.146 1.00 32.02 C ATOM 198 O VAL A 15 3.242 -2.404 -15.216 1.00 55.32 O ATOM 199 CB VAL A 15 5.287 -4.607 -14.264 1.00 63.22 C ATOM 200 CG1 VAL A 15 6.032 -3.883 -13.141 1.00 64.04 C ATOM 201 CG2 VAL A 15 5.692 -6.080 -14.331 1.00 23.42 C ATOM 0 H VAL A 15 3.234 -4.881 -16.081 1.00 44.41 H new ATOM 0 HA VAL A 15 3.528 -4.852 -13.112 1.00 2.20 H new ATOM 0 HB VAL A 15 5.568 -4.139 -15.208 1.00 63.22 H new ATOM 0 HG11 VAL A 15 7.106 -4.002 -13.281 1.00 64.04 H new ATOM 0 HG12 VAL A 15 5.779 -2.823 -13.161 1.00 64.04 H new ATOM 0 HG13 VAL A 15 5.743 -4.308 -12.180 1.00 64.04 H new ATOM 0 HG21 VAL A 15 6.773 -6.155 -14.448 1.00 23.42 H new ATOM 0 HG22 VAL A 15 5.390 -6.582 -13.412 1.00 23.42 H new ATOM 0 HG23 VAL A 15 5.202 -6.554 -15.181 1.00 23.42 H new ATOM 211 N VAL A 16 2.985 -2.484 -12.971 1.00 0.35 N ATOM 212 CA VAL A 16 2.524 -1.110 -12.863 1.00 34.33 C ATOM 213 C VAL A 16 3.139 -0.466 -11.619 1.00 51.11 C ATOM 214 O VAL A 16 3.652 -1.161 -10.744 1.00 62.55 O ATOM 215 CB VAL A 16 0.994 -1.070 -12.862 1.00 71.43 C ATOM 216 CG1 VAL A 16 0.436 -1.419 -14.244 1.00 23.45 C ATOM 217 CG2 VAL A 16 0.422 -2.000 -11.788 1.00 44.24 C ATOM 0 H VAL A 16 3.037 -2.988 -12.085 1.00 0.35 H new ATOM 0 HA VAL A 16 2.851 -0.529 -13.725 1.00 34.33 H new ATOM 0 HB VAL A 16 0.685 -0.052 -12.623 1.00 71.43 H new ATOM 0 HG11 VAL A 16 -0.653 -1.383 -14.216 1.00 23.45 H new ATOM 0 HG12 VAL A 16 0.804 -0.701 -14.977 1.00 23.45 H new ATOM 0 HG13 VAL A 16 0.759 -2.422 -14.524 1.00 23.45 H new ATOM 0 HG21 VAL A 16 -0.667 -1.953 -11.808 1.00 44.24 H new ATOM 0 HG22 VAL A 16 0.745 -3.023 -11.983 1.00 44.24 H new ATOM 0 HG23 VAL A 16 0.780 -1.687 -10.807 1.00 44.24 H new ATOM 227 N LYS A 17 3.066 0.857 -11.579 1.00 12.22 N ATOM 228 CA LYS A 17 3.610 1.603 -10.457 1.00 13.23 C ATOM 229 C LYS A 17 2.471 2.316 -9.725 1.00 52.21 C ATOM 230 O LYS A 17 1.452 2.649 -10.329 1.00 2.21 O ATOM 231 CB LYS A 17 4.722 2.542 -10.926 1.00 74.04 C ATOM 232 CG LYS A 17 5.418 3.205 -9.736 1.00 64.42 C ATOM 233 CD LYS A 17 5.858 4.629 -10.082 1.00 22.35 C ATOM 234 CE LYS A 17 4.692 5.610 -9.953 1.00 74.31 C ATOM 235 NZ LYS A 17 4.618 6.487 -11.143 1.00 53.33 N ATOM 0 H LYS A 17 2.638 1.431 -12.306 1.00 12.22 H new ATOM 0 HA LYS A 17 4.077 0.927 -9.741 1.00 13.23 H new ATOM 0 HB2 LYS A 17 5.451 1.983 -11.513 1.00 74.04 H new ATOM 0 HB3 LYS A 17 4.305 3.307 -11.580 1.00 74.04 H new ATOM 0 HG2 LYS A 17 4.742 3.227 -8.881 1.00 64.42 H new ATOM 0 HG3 LYS A 17 6.285 2.614 -9.442 1.00 64.42 H new ATOM 0 HD2 LYS A 17 6.669 4.934 -9.420 1.00 22.35 H new ATOM 0 HD3 LYS A 17 6.249 4.655 -11.099 1.00 22.35 H new ATOM 0 HE2 LYS A 17 3.757 5.060 -9.840 1.00 74.31 H new ATOM 0 HE3 LYS A 17 4.816 6.215 -9.055 1.00 74.31 H new ATOM 0 HZ1 LYS A 17 3.676 6.925 -11.193 1.00 53.33 H new ATOM 0 HZ2 LYS A 17 5.342 7.230 -11.072 1.00 53.33 H new ATOM 0 HZ3 LYS A 17 4.784 5.923 -12.001 1.00 53.33 H new ATOM 248 N VAL A 18 2.681 2.528 -8.435 1.00 34.05 N ATOM 249 CA VAL A 18 1.685 3.196 -7.614 1.00 24.11 C ATOM 250 C VAL A 18 2.083 4.661 -7.427 1.00 51.42 C ATOM 251 O VAL A 18 2.725 5.013 -6.440 1.00 1.44 O ATOM 252 CB VAL A 18 1.514 2.450 -6.288 1.00 63.22 C ATOM 253 CG1 VAL A 18 0.665 3.261 -5.308 1.00 1.40 C ATOM 254 CG2 VAL A 18 0.914 1.062 -6.514 1.00 75.53 C ATOM 0 H VAL A 18 3.526 2.249 -7.937 1.00 34.05 H new ATOM 0 HA VAL A 18 0.713 3.183 -8.108 1.00 24.11 H new ATOM 0 HB VAL A 18 2.502 2.320 -5.847 1.00 63.22 H new ATOM 0 HG11 VAL A 18 0.559 2.708 -4.374 1.00 1.40 H new ATOM 0 HG12 VAL A 18 1.150 4.217 -5.111 1.00 1.40 H new ATOM 0 HG13 VAL A 18 -0.320 3.437 -5.739 1.00 1.40 H new ATOM 0 HG21 VAL A 18 0.803 0.553 -5.556 1.00 75.53 H new ATOM 0 HG22 VAL A 18 -0.063 1.161 -6.988 1.00 75.53 H new ATOM 0 HG23 VAL A 18 1.573 0.481 -7.159 1.00 75.53 H new ATOM 264 N LEU A 19 1.684 5.477 -8.392 1.00 73.34 N ATOM 265 CA LEU A 19 1.990 6.897 -8.348 1.00 72.43 C ATOM 266 C LEU A 19 1.211 7.545 -7.202 1.00 4.50 C ATOM 267 O LEU A 19 1.756 8.361 -6.461 1.00 13.03 O ATOM 268 CB LEU A 19 1.733 7.543 -9.710 1.00 62.42 C ATOM 269 CG LEU A 19 2.154 9.007 -9.848 1.00 11.22 C ATOM 270 CD1 LEU A 19 3.658 9.169 -9.621 1.00 4.21 C ATOM 271 CD2 LEU A 19 1.713 9.581 -11.196 1.00 23.43 C ATOM 0 H LEU A 19 1.151 5.181 -9.210 1.00 73.34 H new ATOM 0 HA LEU A 19 3.049 7.053 -8.143 1.00 72.43 H new ATOM 0 HB2 LEU A 19 2.256 6.962 -10.470 1.00 62.42 H new ATOM 0 HB3 LEU A 19 0.668 7.470 -9.930 1.00 62.42 H new ATOM 0 HG LEU A 19 1.647 9.582 -9.073 1.00 11.22 H new ATOM 0 HD11 LEU A 19 3.931 10.219 -9.725 1.00 4.21 H new ATOM 0 HD12 LEU A 19 3.914 8.825 -8.619 1.00 4.21 H new ATOM 0 HD13 LEU A 19 4.203 8.578 -10.357 1.00 4.21 H new ATOM 0 HD21 LEU A 19 2.025 10.623 -11.267 1.00 23.43 H new ATOM 0 HD22 LEU A 19 2.171 9.009 -12.003 1.00 23.43 H new ATOM 0 HD23 LEU A 19 0.628 9.521 -11.280 1.00 23.43 H new ATOM 283 N GLU A 20 -0.052 7.160 -7.094 1.00 73.32 N ATOM 284 CA GLU A 20 -0.911 7.694 -6.052 1.00 1.24 C ATOM 285 C GLU A 20 -1.720 6.570 -5.401 1.00 60.42 C ATOM 286 O GLU A 20 -2.476 5.873 -6.078 1.00 21.52 O ATOM 287 CB GLU A 20 -1.833 8.783 -6.605 1.00 2.01 C ATOM 288 CG GLU A 20 -3.009 9.037 -5.661 1.00 33.12 C ATOM 289 CD GLU A 20 -2.534 9.661 -4.348 1.00 31.33 C ATOM 290 OE1 GLU A 20 -2.090 8.938 -3.444 1.00 23.54 O ATOM 291 OE2 GLU A 20 -2.640 10.945 -4.284 1.00 24.43 O ATOM 0 H GLU A 20 -0.501 6.484 -7.712 1.00 73.32 H new ATOM 0 HA GLU A 20 -0.281 8.150 -5.289 1.00 1.24 H new ATOM 0 HB2 GLU A 20 -1.269 9.705 -6.745 1.00 2.01 H new ATOM 0 HB3 GLU A 20 -2.206 8.485 -7.585 1.00 2.01 H new ATOM 0 HG2 GLU A 20 -3.730 9.698 -6.142 1.00 33.12 H new ATOM 0 HG3 GLU A 20 -3.525 8.099 -5.456 1.00 33.12 H new ATOM 298 N GLU A 21 -1.534 6.427 -4.098 1.00 2.01 N ATOM 299 CA GLU A 21 -2.236 5.399 -3.350 1.00 33.35 C ATOM 300 C GLU A 21 -3.739 5.689 -3.331 1.00 51.12 C ATOM 301 O GLU A 21 -4.154 6.838 -3.472 1.00 74.44 O ATOM 302 CB GLU A 21 -1.683 5.281 -1.928 1.00 14.14 C ATOM 303 CG GLU A 21 -0.190 4.949 -1.945 1.00 73.33 C ATOM 304 CD GLU A 21 0.370 4.867 -0.524 1.00 44.42 C ATOM 305 OE1 GLU A 21 0.128 3.877 0.183 1.00 71.15 O ATOM 306 OE2 GLU A 21 1.082 5.880 -0.160 1.00 22.21 O ATOM 0 H GLU A 21 -0.907 7.007 -3.540 1.00 2.01 H new ATOM 0 HA GLU A 21 -2.076 4.442 -3.848 1.00 33.35 H new ATOM 0 HB2 GLU A 21 -1.845 6.216 -1.393 1.00 14.14 H new ATOM 0 HB3 GLU A 21 -2.225 4.506 -1.387 1.00 14.14 H new ATOM 0 HG2 GLU A 21 -0.031 4.000 -2.458 1.00 73.33 H new ATOM 0 HG3 GLU A 21 0.349 5.710 -2.509 1.00 73.33 H new ATOM 313 N GLY A 22 -4.512 4.628 -3.156 1.00 72.43 N ATOM 314 CA GLY A 22 -5.959 4.753 -3.119 1.00 0.44 C ATOM 315 C GLY A 22 -6.564 3.805 -2.081 1.00 54.32 C ATOM 316 O GLY A 22 -5.845 3.048 -1.432 1.00 44.20 O ATOM 0 H GLY A 22 -4.163 3.677 -3.038 1.00 72.43 H new ATOM 0 HA2 GLY A 22 -6.233 5.781 -2.882 1.00 0.44 H new ATOM 0 HA3 GLY A 22 -6.372 4.532 -4.103 1.00 0.44 H new ATOM 320 N GLY A 23 -7.882 3.877 -1.959 1.00 52.42 N ATOM 321 CA GLY A 23 -8.592 3.035 -1.012 1.00 14.11 C ATOM 322 C GLY A 23 -9.150 1.787 -1.699 1.00 4.22 C ATOM 323 O GLY A 23 -10.304 1.421 -1.488 1.00 54.21 O ATOM 0 H GLY A 23 -8.476 4.505 -2.500 1.00 52.42 H new ATOM 0 HA2 GLY A 23 -7.920 2.741 -0.206 1.00 14.11 H new ATOM 0 HA3 GLY A 23 -9.406 3.599 -0.558 1.00 14.11 H new ATOM 327 N GLY A 24 -8.302 1.168 -2.508 1.00 74.40 N ATOM 328 CA GLY A 24 -8.695 -0.032 -3.227 1.00 74.32 C ATOM 329 C GLY A 24 -7.475 -0.889 -3.571 1.00 10.10 C ATOM 330 O GLY A 24 -6.371 -0.370 -3.725 1.00 2.14 O ATOM 0 H GLY A 24 -7.345 1.475 -2.681 1.00 74.40 H new ATOM 0 HA2 GLY A 24 -9.392 -0.611 -2.621 1.00 74.32 H new ATOM 0 HA3 GLY A 24 -9.220 0.243 -4.142 1.00 74.32 H new ATOM 334 N THR A 25 -7.717 -2.187 -3.683 1.00 13.03 N ATOM 335 CA THR A 25 -6.652 -3.122 -4.006 1.00 12.12 C ATOM 336 C THR A 25 -6.572 -3.338 -5.519 1.00 15.44 C ATOM 337 O THR A 25 -7.597 -3.385 -6.196 1.00 73.24 O ATOM 338 CB THR A 25 -6.900 -4.411 -3.220 1.00 23.14 C ATOM 339 OG1 THR A 25 -5.697 -5.156 -3.389 1.00 62.31 O ATOM 340 CG2 THR A 25 -7.976 -5.289 -3.860 1.00 74.55 C ATOM 0 H THR A 25 -8.635 -2.613 -3.556 1.00 13.03 H new ATOM 0 HA THR A 25 -5.678 -2.729 -3.714 1.00 12.12 H new ATOM 0 HB THR A 25 -7.194 -4.164 -2.200 1.00 23.14 H new ATOM 0 HG1 THR A 25 -5.770 -6.008 -2.910 1.00 62.31 H new ATOM 0 HG21 THR A 25 -8.113 -6.190 -3.263 1.00 74.55 H new ATOM 0 HG22 THR A 25 -8.915 -4.738 -3.906 1.00 74.55 H new ATOM 0 HG23 THR A 25 -7.668 -5.565 -4.868 1.00 74.55 H new ATOM 348 N LEU A 26 -5.346 -3.462 -6.003 1.00 24.12 N ATOM 349 CA LEU A 26 -5.119 -3.672 -7.423 1.00 0.24 C ATOM 350 C LEU A 26 -5.378 -5.140 -7.764 1.00 4.12 C ATOM 351 O LEU A 26 -4.738 -6.032 -7.209 1.00 61.12 O ATOM 352 CB LEU A 26 -3.725 -3.183 -7.821 1.00 31.44 C ATOM 353 CG LEU A 26 -3.273 -1.862 -7.194 1.00 25.20 C ATOM 354 CD1 LEU A 26 -1.775 -1.636 -7.412 1.00 33.41 C ATOM 355 CD2 LEU A 26 -4.111 -0.694 -7.714 1.00 45.42 C ATOM 0 H LEU A 26 -4.498 -3.421 -5.437 1.00 24.12 H new ATOM 0 HA LEU A 26 -5.818 -3.080 -8.013 1.00 0.24 H new ATOM 0 HB2 LEU A 26 -3.002 -3.954 -7.556 1.00 31.44 H new ATOM 0 HB3 LEU A 26 -3.695 -3.077 -8.905 1.00 31.44 H new ATOM 0 HG LEU A 26 -3.436 -1.921 -6.118 1.00 25.20 H new ATOM 0 HD11 LEU A 26 -1.480 -0.691 -6.957 1.00 33.41 H new ATOM 0 HD12 LEU A 26 -1.214 -2.450 -6.954 1.00 33.41 H new ATOM 0 HD13 LEU A 26 -1.563 -1.606 -8.481 1.00 33.41 H new ATOM 0 HD21 LEU A 26 -3.769 0.233 -7.253 1.00 45.42 H new ATOM 0 HD22 LEU A 26 -4.003 -0.622 -8.796 1.00 45.42 H new ATOM 0 HD23 LEU A 26 -5.159 -0.859 -7.464 1.00 45.42 H new ATOM 367 N VAL A 27 -6.316 -5.346 -8.677 1.00 21.15 N ATOM 368 CA VAL A 27 -6.666 -6.692 -9.099 1.00 12.55 C ATOM 369 C VAL A 27 -6.330 -6.860 -10.582 1.00 5.21 C ATOM 370 O VAL A 27 -6.362 -5.894 -11.342 1.00 43.15 O ATOM 371 CB VAL A 27 -8.137 -6.972 -8.784 1.00 34.44 C ATOM 372 CG1 VAL A 27 -8.672 -8.120 -9.644 1.00 12.34 C ATOM 373 CG2 VAL A 27 -8.333 -7.266 -7.295 1.00 22.42 C ATOM 0 H VAL A 27 -6.844 -4.604 -9.136 1.00 21.15 H new ATOM 0 HA VAL A 27 -6.083 -7.430 -8.548 1.00 12.55 H new ATOM 0 HB VAL A 27 -8.708 -6.076 -9.026 1.00 34.44 H new ATOM 0 HG11 VAL A 27 -9.719 -8.299 -9.401 1.00 12.34 H new ATOM 0 HG12 VAL A 27 -8.584 -7.857 -10.698 1.00 12.34 H new ATOM 0 HG13 VAL A 27 -8.094 -9.023 -9.446 1.00 12.34 H new ATOM 0 HG21 VAL A 27 -9.387 -7.461 -7.098 1.00 22.42 H new ATOM 0 HG22 VAL A 27 -7.744 -8.140 -7.016 1.00 22.42 H new ATOM 0 HG23 VAL A 27 -8.008 -6.407 -6.709 1.00 22.42 H new ATOM 383 N CYS A 28 -6.014 -8.094 -10.948 1.00 55.21 N ATOM 384 CA CYS A 28 -5.672 -8.401 -12.326 1.00 63.41 C ATOM 385 C CYS A 28 -5.810 -9.911 -12.530 1.00 74.32 C ATOM 386 O CYS A 28 -5.266 -10.698 -11.758 1.00 33.55 O ATOM 387 CB CYS A 28 -4.271 -7.902 -12.686 1.00 25.32 C ATOM 388 SG CYS A 28 -3.889 -7.909 -14.475 1.00 33.21 S ATOM 0 H CYS A 28 -5.988 -8.893 -10.314 1.00 55.21 H new ATOM 0 HA CYS A 28 -6.355 -7.881 -12.997 1.00 63.41 H new ATOM 0 HB2 CYS A 28 -4.154 -6.886 -12.308 1.00 25.32 H new ATOM 0 HB3 CYS A 28 -3.537 -8.520 -12.170 1.00 25.32 H new ATOM 393 N CYS A 29 -6.541 -10.270 -13.576 1.00 13.42 N ATOM 394 CA CYS A 29 -6.758 -11.671 -13.891 1.00 30.21 C ATOM 395 C CYS A 29 -7.410 -12.341 -12.679 1.00 75.25 C ATOM 396 O CYS A 29 -6.979 -13.411 -12.250 1.00 53.23 O ATOM 397 CB CYS A 29 -5.458 -12.368 -14.297 1.00 64.25 C ATOM 398 SG CYS A 29 -4.579 -11.594 -15.703 1.00 53.34 S ATOM 0 H CYS A 29 -6.990 -9.614 -14.215 1.00 13.42 H new ATOM 0 HA CYS A 29 -7.422 -11.754 -14.752 1.00 30.21 H new ATOM 0 HB2 CYS A 29 -4.790 -12.389 -13.436 1.00 64.25 H new ATOM 0 HB3 CYS A 29 -5.682 -13.404 -14.553 1.00 64.25 H new ATOM 403 N GLY A 30 -8.439 -11.685 -12.163 1.00 50.05 N ATOM 404 CA GLY A 30 -9.155 -12.204 -11.010 1.00 34.12 C ATOM 405 C GLY A 30 -8.188 -12.563 -9.880 1.00 50.13 C ATOM 406 O GLY A 30 -8.466 -13.454 -9.079 1.00 54.41 O ATOM 0 H GLY A 30 -8.794 -10.799 -12.522 1.00 50.05 H new ATOM 0 HA2 GLY A 30 -9.872 -11.462 -10.658 1.00 34.12 H new ATOM 0 HA3 GLY A 30 -9.726 -13.086 -11.299 1.00 34.12 H new ATOM 410 N GLU A 31 -7.071 -11.851 -9.852 1.00 42.54 N ATOM 411 CA GLU A 31 -6.061 -12.083 -8.834 1.00 0.34 C ATOM 412 C GLU A 31 -5.631 -10.757 -8.201 1.00 63.11 C ATOM 413 O GLU A 31 -5.694 -9.710 -8.842 1.00 63.31 O ATOM 414 CB GLU A 31 -4.858 -12.828 -9.415 1.00 22.22 C ATOM 415 CG GLU A 31 -3.717 -12.906 -8.398 1.00 14.33 C ATOM 416 CD GLU A 31 -2.413 -13.341 -9.068 1.00 63.14 C ATOM 417 OE1 GLU A 31 -2.126 -12.920 -10.199 1.00 10.20 O ATOM 418 OE2 GLU A 31 -1.684 -14.147 -8.372 1.00 53.24 O ATOM 0 H GLU A 31 -6.843 -11.113 -10.518 1.00 42.54 H new ATOM 0 HA GLU A 31 -6.495 -12.711 -8.056 1.00 0.34 H new ATOM 0 HB2 GLU A 31 -5.157 -13.834 -9.710 1.00 22.22 H new ATOM 0 HB3 GLU A 31 -4.513 -12.321 -10.316 1.00 22.22 H new ATOM 0 HG2 GLU A 31 -3.580 -11.934 -7.925 1.00 14.33 H new ATOM 0 HG3 GLU A 31 -3.977 -13.611 -7.608 1.00 14.33 H new ATOM 425 N ASP A 32 -5.203 -10.847 -6.950 1.00 14.14 N ATOM 426 CA ASP A 32 -4.763 -9.668 -6.223 1.00 63.01 C ATOM 427 C ASP A 32 -3.309 -9.362 -6.589 1.00 71.45 C ATOM 428 O ASP A 32 -2.390 -9.998 -6.076 1.00 44.31 O ATOM 429 CB ASP A 32 -4.832 -9.896 -4.712 1.00 52.43 C ATOM 430 CG ASP A 32 -6.230 -10.196 -4.167 1.00 4.14 C ATOM 431 OD1 ASP A 32 -7.130 -9.344 -4.210 1.00 40.54 O ATOM 432 OD2 ASP A 32 -6.380 -11.379 -3.674 1.00 61.12 O ATOM 0 H ASP A 32 -5.152 -11.718 -6.422 1.00 14.14 H new ATOM 0 HA ASP A 32 -5.419 -8.840 -6.493 1.00 63.01 H new ATOM 0 HB2 ASP A 32 -4.172 -10.725 -4.454 1.00 52.43 H new ATOM 0 HB3 ASP A 32 -4.444 -9.011 -4.208 1.00 52.43 H new ATOM 437 N MET A 33 -3.147 -8.389 -7.473 1.00 41.32 N ATOM 438 CA MET A 33 -1.821 -7.991 -7.913 1.00 61.43 C ATOM 439 C MET A 33 -0.819 -8.048 -6.758 1.00 10.40 C ATOM 440 O MET A 33 -1.117 -7.601 -5.652 1.00 32.14 O ATOM 441 CB MET A 33 -1.874 -6.569 -8.474 1.00 30.03 C ATOM 442 CG MET A 33 -2.058 -6.584 -9.993 1.00 2.33 C ATOM 443 SD MET A 33 -1.011 -5.350 -10.747 1.00 32.43 S ATOM 444 CE MET A 33 -1.802 -3.866 -10.148 1.00 44.55 C ATOM 0 H MET A 33 -3.912 -7.864 -7.897 1.00 41.32 H new ATOM 0 HA MET A 33 -1.493 -8.684 -8.688 1.00 61.43 H new ATOM 0 HB2 MET A 33 -2.695 -6.022 -8.010 1.00 30.03 H new ATOM 0 HB3 MET A 33 -0.955 -6.040 -8.221 1.00 30.03 H new ATOM 0 HG2 MET A 33 -1.814 -7.570 -10.387 1.00 2.33 H new ATOM 0 HG3 MET A 33 -3.101 -6.390 -10.243 1.00 2.33 H new ATOM 0 HE1 MET A 33 -2.001 -3.196 -10.985 1.00 44.55 H new ATOM 0 HE2 MET A 33 -2.742 -4.126 -9.660 1.00 44.55 H new ATOM 0 HE3 MET A 33 -1.147 -3.368 -9.433 1.00 44.55 H new ATOM 454 N VAL A 34 0.348 -8.601 -7.055 1.00 34.43 N ATOM 455 CA VAL A 34 1.394 -8.722 -6.055 1.00 23.31 C ATOM 456 C VAL A 34 2.329 -7.515 -6.153 1.00 14.32 C ATOM 457 O VAL A 34 2.291 -6.773 -7.133 1.00 70.54 O ATOM 458 CB VAL A 34 2.123 -10.057 -6.219 1.00 72.02 C ATOM 459 CG1 VAL A 34 3.081 -10.305 -5.052 1.00 32.21 C ATOM 460 CG2 VAL A 34 1.129 -11.210 -6.367 1.00 73.33 C ATOM 0 H VAL A 34 0.592 -8.970 -7.974 1.00 34.43 H new ATOM 0 HA VAL A 34 0.966 -8.722 -5.053 1.00 23.31 H new ATOM 0 HB VAL A 34 2.715 -10.006 -7.133 1.00 72.02 H new ATOM 0 HG11 VAL A 34 3.586 -11.260 -5.193 1.00 32.21 H new ATOM 0 HG12 VAL A 34 3.821 -9.505 -5.012 1.00 32.21 H new ATOM 0 HG13 VAL A 34 2.519 -10.326 -4.118 1.00 32.21 H new ATOM 0 HG21 VAL A 34 1.673 -12.147 -6.482 1.00 73.33 H new ATOM 0 HG22 VAL A 34 0.499 -11.263 -5.479 1.00 73.33 H new ATOM 0 HG23 VAL A 34 0.506 -11.042 -7.245 1.00 73.33 H new ATOM 470 N LYS A 35 3.146 -7.354 -5.122 1.00 63.12 N ATOM 471 CA LYS A 35 4.089 -6.249 -5.079 1.00 52.23 C ATOM 472 C LYS A 35 5.514 -6.795 -5.186 1.00 60.41 C ATOM 473 O LYS A 35 5.829 -7.833 -4.606 1.00 60.41 O ATOM 474 CB LYS A 35 3.851 -5.389 -3.837 1.00 23.15 C ATOM 475 CG LYS A 35 5.055 -5.445 -2.893 1.00 52.30 C ATOM 476 CD LYS A 35 5.640 -4.049 -2.668 1.00 15.20 C ATOM 477 CE LYS A 35 5.879 -3.788 -1.179 1.00 51.43 C ATOM 478 NZ LYS A 35 5.485 -2.406 -0.825 1.00 62.03 N ATOM 0 H LYS A 35 3.174 -7.971 -4.310 1.00 63.12 H new ATOM 0 HA LYS A 35 3.937 -5.586 -5.931 1.00 52.23 H new ATOM 0 HB2 LYS A 35 3.665 -4.357 -4.135 1.00 23.15 H new ATOM 0 HB3 LYS A 35 2.959 -5.736 -3.316 1.00 23.15 H new ATOM 0 HG2 LYS A 35 4.753 -5.875 -1.938 1.00 52.30 H new ATOM 0 HG3 LYS A 35 5.819 -6.101 -3.311 1.00 52.30 H new ATOM 0 HD2 LYS A 35 6.579 -3.952 -3.213 1.00 15.20 H new ATOM 0 HD3 LYS A 35 4.960 -3.297 -3.068 1.00 15.20 H new ATOM 0 HE2 LYS A 35 5.307 -4.499 -0.583 1.00 51.43 H new ATOM 0 HE3 LYS A 35 6.931 -3.945 -0.941 1.00 51.43 H new ATOM 0 HZ1 LYS A 35 5.606 -2.262 0.198 1.00 62.03 H new ATOM 0 HZ2 LYS A 35 6.083 -1.731 -1.343 1.00 62.03 H new ATOM 0 HZ3 LYS A 35 4.489 -2.253 -1.081 1.00 62.03 H new ATOM 491 N GLN A 36 6.337 -6.073 -5.931 1.00 52.10 N ATOM 492 CA GLN A 36 7.721 -6.472 -6.121 1.00 32.45 C ATOM 493 C GLN A 36 8.575 -6.005 -4.941 1.00 0.51 C ATOM 494 O GLN A 36 8.044 -5.619 -3.900 1.00 65.34 O ATOM 495 CB GLN A 36 8.271 -5.933 -7.444 1.00 31.35 C ATOM 496 CG GLN A 36 7.209 -5.993 -8.543 1.00 74.11 C ATOM 497 CD GLN A 36 7.035 -7.422 -9.061 1.00 54.11 C ATOM 498 OE1 GLN A 36 7.887 -7.972 -9.739 1.00 4.14 O ATOM 499 NE2 GLN A 36 5.886 -7.990 -8.707 1.00 33.35 N ATOM 0 H GLN A 36 6.072 -5.213 -6.411 1.00 52.10 H new ATOM 0 HA GLN A 36 7.762 -7.560 -6.165 1.00 32.45 H new ATOM 0 HB2 GLN A 36 8.604 -4.904 -7.311 1.00 31.35 H new ATOM 0 HB3 GLN A 36 9.143 -6.514 -7.744 1.00 31.35 H new ATOM 0 HG2 GLN A 36 6.259 -5.625 -8.156 1.00 74.11 H new ATOM 0 HG3 GLN A 36 7.494 -5.337 -9.365 1.00 74.11 H new ATOM 0 HE21 GLN A 36 5.216 -7.473 -8.138 1.00 33.35 H new ATOM 0 HE22 GLN A 36 5.675 -8.942 -9.005 1.00 33.35 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -1.777 -2.437 -20.637 1.00 74.32 N ATOM 510 CA ALA B 1 -2.390 -1.705 -21.733 1.00 62.40 C ATOM 511 C ALA B 1 -1.298 -1.211 -22.684 1.00 62.13 C ATOM 512 O ALA B 1 -1.208 -1.669 -23.823 1.00 14.05 O ATOM 513 CB ALA B 1 -3.235 -0.560 -21.172 1.00 52.03 C ATOM 0 H1 ALA B 1 -2.057 -3.437 -20.688 1.00 74.32 H new ATOM 0 H2 ALA B 1 -0.742 -2.363 -20.706 1.00 74.32 H new ATOM 0 H3 ALA B 1 -2.093 -2.035 -19.731 1.00 74.32 H new ATOM 0 HA ALA B 1 -3.056 -2.353 -22.303 1.00 62.40 H new ATOM 0 HB1 ALA B 1 -3.695 -0.011 -21.994 1.00 52.03 H new ATOM 0 HB2 ALA B 1 -4.014 -0.965 -20.526 1.00 52.03 H new ATOM 0 HB3 ALA B 1 -2.600 0.113 -20.596 1.00 52.03 H new ATOM 519 N ASN B 2 -0.494 -0.285 -22.182 1.00 11.23 N ATOM 520 CA ASN B 2 0.588 0.275 -22.973 1.00 10.52 C ATOM 521 C ASN B 2 1.737 0.677 -22.045 1.00 71.21 C ATOM 522 O ASN B 2 1.506 1.213 -20.963 1.00 24.43 O ATOM 523 CB ASN B 2 0.130 1.526 -23.726 1.00 74.52 C ATOM 524 CG ASN B 2 -0.267 1.185 -25.164 1.00 50.31 C ATOM 525 OD1 ASN B 2 -0.513 0.042 -25.513 1.00 35.21 O ATOM 526 ND2 ASN B 2 -0.315 2.238 -25.976 1.00 33.42 N ATOM 0 H ASN B 2 -0.571 0.091 -21.237 1.00 11.23 H new ATOM 0 HA ASN B 2 0.908 -0.481 -23.690 1.00 10.52 H new ATOM 0 HB2 ASN B 2 -0.717 1.977 -23.208 1.00 74.52 H new ATOM 0 HB3 ASN B 2 0.931 2.265 -23.731 1.00 74.52 H new ATOM 0 HD21 ASN B 2 -0.570 2.115 -26.956 1.00 33.42 H new ATOM 0 HD22 ASN B 2 -0.097 3.168 -25.618 1.00 33.42 H new ATOM 533 N GLU B 3 2.949 0.401 -22.504 1.00 23.22 N ATOM 534 CA GLU B 3 4.134 0.727 -21.729 1.00 24.43 C ATOM 535 C GLU B 3 4.380 2.236 -21.744 1.00 1.11 C ATOM 536 O GLU B 3 4.593 2.824 -22.804 1.00 75.20 O ATOM 537 CB GLU B 3 5.356 -0.033 -22.250 1.00 22.10 C ATOM 538 CG GLU B 3 6.614 0.350 -21.469 1.00 64.23 C ATOM 539 CD GLU B 3 7.796 -0.537 -21.864 1.00 63.50 C ATOM 540 OE1 GLU B 3 7.644 -1.763 -21.971 1.00 53.21 O ATOM 541 OE2 GLU B 3 8.906 0.091 -22.065 1.00 34.35 O ATOM 0 H GLU B 3 3.136 -0.044 -23.402 1.00 23.22 H new ATOM 0 HA GLU B 3 3.966 0.417 -20.698 1.00 24.43 H new ATOM 0 HB2 GLU B 3 5.184 -1.106 -22.166 1.00 22.10 H new ATOM 0 HB3 GLU B 3 5.500 0.185 -23.308 1.00 22.10 H new ATOM 0 HG2 GLU B 3 6.860 1.395 -21.658 1.00 64.23 H new ATOM 0 HG3 GLU B 3 6.425 0.256 -20.400 1.00 64.23 H new ATOM 548 N GLY B 4 4.342 2.822 -20.555 1.00 63.25 N ATOM 549 CA GLY B 4 4.559 4.252 -20.420 1.00 33.25 C ATOM 550 C GLY B 4 3.231 4.994 -20.248 1.00 32.55 C ATOM 551 O GLY B 4 3.200 6.223 -20.235 1.00 34.24 O ATOM 0 H GLY B 4 4.164 2.332 -19.678 1.00 63.25 H new ATOM 0 HA2 GLY B 4 5.202 4.447 -19.562 1.00 33.25 H new ATOM 0 HA3 GLY B 4 5.079 4.629 -21.300 1.00 33.25 H new ATOM 555 N ASP B 5 2.167 4.214 -20.122 1.00 24.32 N ATOM 556 CA ASP B 5 0.840 4.781 -19.952 1.00 4.12 C ATOM 557 C ASP B 5 0.528 4.900 -18.458 1.00 73.43 C ATOM 558 O ASP B 5 0.980 4.082 -17.659 1.00 60.44 O ATOM 559 CB ASP B 5 -0.226 3.887 -20.588 1.00 34.24 C ATOM 560 CG ASP B 5 -0.437 4.099 -22.089 1.00 24.44 C ATOM 561 OD1 ASP B 5 0.492 4.484 -22.816 1.00 30.51 O ATOM 562 OD2 ASP B 5 -1.629 3.849 -22.513 1.00 10.21 O ATOM 0 H ASP B 5 2.197 3.195 -20.134 1.00 24.32 H new ATOM 0 HA ASP B 5 0.826 5.758 -20.435 1.00 4.12 H new ATOM 0 HB2 ASP B 5 0.047 2.845 -20.418 1.00 34.24 H new ATOM 0 HB3 ASP B 5 -1.173 4.056 -20.076 1.00 34.24 H new ATOM 567 N VAL B 6 -0.243 5.925 -18.127 1.00 51.54 N ATOM 568 CA VAL B 6 -0.620 6.161 -16.745 1.00 51.30 C ATOM 569 C VAL B 6 -2.141 6.055 -16.611 1.00 4.54 C ATOM 570 O VAL B 6 -2.879 6.572 -17.448 1.00 30.31 O ATOM 571 CB VAL B 6 -0.072 7.511 -16.276 1.00 44.21 C ATOM 572 CG1 VAL B 6 -0.874 8.046 -15.087 1.00 71.03 C ATOM 573 CG2 VAL B 6 1.416 7.409 -15.932 1.00 34.51 C ATOM 0 H VAL B 6 -0.617 6.601 -18.793 1.00 51.54 H new ATOM 0 HA VAL B 6 -0.182 5.404 -16.095 1.00 51.30 H new ATOM 0 HB VAL B 6 -0.179 8.219 -17.098 1.00 44.21 H new ATOM 0 HG11 VAL B 6 -0.464 9.006 -14.774 1.00 71.03 H new ATOM 0 HG12 VAL B 6 -1.916 8.175 -15.379 1.00 71.03 H new ATOM 0 HG13 VAL B 6 -0.814 7.339 -14.260 1.00 71.03 H new ATOM 0 HG21 VAL B 6 1.781 8.382 -15.602 1.00 34.51 H new ATOM 0 HG22 VAL B 6 1.556 6.679 -15.135 1.00 34.51 H new ATOM 0 HG23 VAL B 6 1.973 7.094 -16.814 1.00 34.51 H new ATOM 583 N TYR B 7 -2.563 5.382 -15.550 1.00 50.51 N ATOM 584 CA TYR B 7 -3.983 5.202 -15.295 1.00 64.22 C ATOM 585 C TYR B 7 -4.373 5.778 -13.933 1.00 20.22 C ATOM 586 O TYR B 7 -3.649 5.611 -12.954 1.00 25.41 O ATOM 587 CB TYR B 7 -4.220 3.690 -15.283 1.00 44.14 C ATOM 588 CG TYR B 7 -4.517 3.096 -16.661 1.00 24.10 C ATOM 589 CD1 TYR B 7 -3.629 3.285 -17.701 1.00 13.21 C ATOM 590 CD2 TYR B 7 -5.672 2.369 -16.864 1.00 51.22 C ATOM 591 CE1 TYR B 7 -3.909 2.726 -18.998 1.00 12.24 C ATOM 592 CE2 TYR B 7 -5.952 1.809 -18.162 1.00 12.20 C ATOM 593 CZ TYR B 7 -5.057 2.015 -19.165 1.00 4.25 C ATOM 594 OH TYR B 7 -5.320 1.487 -20.390 1.00 35.35 O ATOM 0 H TYR B 7 -1.947 4.955 -14.858 1.00 50.51 H new ATOM 0 HA TYR B 7 -4.577 5.713 -16.053 1.00 64.22 H new ATOM 0 HB2 TYR B 7 -3.340 3.198 -14.869 1.00 44.14 H new ATOM 0 HB3 TYR B 7 -5.053 3.468 -14.616 1.00 44.14 H new ATOM 0 HD1 TYR B 7 -2.724 3.852 -17.542 1.00 13.21 H new ATOM 0 HD2 TYR B 7 -6.366 2.220 -16.050 1.00 51.22 H new ATOM 0 HE1 TYR B 7 -3.223 2.868 -19.820 1.00 12.24 H new ATOM 0 HE2 TYR B 7 -6.853 1.238 -18.334 1.00 12.20 H new ATOM 0 HH TYR B 7 -6.172 1.004 -20.362 1.00 35.35 H new ATOM 604 N LYS B 8 -5.518 6.445 -13.915 1.00 4.02 N ATOM 605 CA LYS B 8 -6.013 7.047 -12.689 1.00 11.44 C ATOM 606 C LYS B 8 -7.481 6.665 -12.494 1.00 72.20 C ATOM 607 O LYS B 8 -8.200 6.435 -13.466 1.00 21.21 O ATOM 608 CB LYS B 8 -5.767 8.558 -12.697 1.00 31.42 C ATOM 609 CG LYS B 8 -6.531 9.243 -11.562 1.00 11.14 C ATOM 610 CD LYS B 8 -6.091 10.700 -11.406 1.00 22.31 C ATOM 611 CE LYS B 8 -6.229 11.163 -9.954 1.00 64.22 C ATOM 612 NZ LYS B 8 -6.497 12.617 -9.896 1.00 72.44 N ATOM 0 H LYS B 8 -6.117 6.582 -14.730 1.00 4.02 H new ATOM 0 HA LYS B 8 -5.466 6.662 -11.828 1.00 11.44 H new ATOM 0 HB2 LYS B 8 -4.700 8.757 -12.594 1.00 31.42 H new ATOM 0 HB3 LYS B 8 -6.079 8.976 -13.654 1.00 31.42 H new ATOM 0 HG2 LYS B 8 -7.602 9.202 -11.763 1.00 11.14 H new ATOM 0 HG3 LYS B 8 -6.361 8.706 -10.629 1.00 11.14 H new ATOM 0 HD2 LYS B 8 -5.055 10.807 -11.729 1.00 22.31 H new ATOM 0 HD3 LYS B 8 -6.694 11.337 -12.053 1.00 22.31 H new ATOM 0 HE2 LYS B 8 -7.039 10.619 -9.468 1.00 64.22 H new ATOM 0 HE3 LYS B 8 -5.316 10.934 -9.405 1.00 64.22 H new ATOM 0 HZ1 LYS B 8 -6.588 12.914 -8.903 1.00 72.44 H new ATOM 0 HZ2 LYS B 8 -5.711 13.133 -10.341 1.00 72.44 H new ATOM 0 HZ3 LYS B 8 -7.381 12.828 -10.402 1.00 72.44 H new ATOM 625 N CYS B 9 -7.883 6.607 -11.234 1.00 34.24 N ATOM 626 CA CYS B 9 -9.252 6.255 -10.899 1.00 54.42 C ATOM 627 C CYS B 9 -10.063 7.548 -10.773 1.00 32.24 C ATOM 628 O CYS B 9 -9.506 8.642 -10.838 1.00 31.11 O ATOM 629 CB CYS B 9 -9.325 5.409 -9.626 1.00 50.32 C ATOM 630 SG CYS B 9 -10.873 4.449 -9.431 1.00 22.34 S ATOM 0 H CYS B 9 -7.284 6.798 -10.431 1.00 34.24 H new ATOM 0 HA CYS B 9 -9.675 5.637 -11.691 1.00 54.42 H new ATOM 0 HB2 CYS B 9 -8.482 4.718 -9.616 1.00 50.32 H new ATOM 0 HB3 CYS B 9 -9.209 6.065 -8.763 1.00 50.32 H new ATOM 635 N GLU B 10 -11.365 7.376 -10.594 1.00 10.42 N ATOM 636 CA GLU B 10 -12.257 8.515 -10.457 1.00 52.23 C ATOM 637 C GLU B 10 -12.996 8.453 -9.119 1.00 51.33 C ATOM 638 O GLU B 10 -13.873 9.273 -8.852 1.00 1.22 O ATOM 639 CB GLU B 10 -13.243 8.582 -11.626 1.00 3.43 C ATOM 640 CG GLU B 10 -12.505 8.733 -12.958 1.00 42.31 C ATOM 641 CD GLU B 10 -11.865 10.118 -13.076 1.00 62.11 C ATOM 642 OE1 GLU B 10 -12.438 11.109 -12.600 1.00 33.42 O ATOM 643 OE2 GLU B 10 -10.728 10.143 -13.687 1.00 74.22 O ATOM 0 H GLU B 10 -11.823 6.466 -10.541 1.00 10.42 H new ATOM 0 HA GLU B 10 -11.658 9.426 -10.476 1.00 52.23 H new ATOM 0 HB2 GLU B 10 -13.853 7.679 -11.644 1.00 3.43 H new ATOM 0 HB3 GLU B 10 -13.923 9.422 -11.485 1.00 3.43 H new ATOM 0 HG2 GLU B 10 -11.736 7.965 -13.041 1.00 42.31 H new ATOM 0 HG3 GLU B 10 -13.201 8.578 -13.783 1.00 42.31 H new ATOM 650 N LEU B 11 -12.615 7.472 -8.314 1.00 42.02 N ATOM 651 CA LEU B 11 -13.231 7.293 -7.011 1.00 22.44 C ATOM 652 C LEU B 11 -12.138 7.166 -5.948 1.00 5.34 C ATOM 653 O LEU B 11 -12.000 8.033 -5.087 1.00 14.20 O ATOM 654 CB LEU B 11 -14.204 6.111 -7.035 1.00 44.54 C ATOM 655 CG LEU B 11 -14.398 5.374 -5.708 1.00 63.05 C ATOM 656 CD1 LEU B 11 -15.267 6.191 -4.750 1.00 73.44 C ATOM 657 CD2 LEU B 11 -14.961 3.971 -5.939 1.00 35.24 C ATOM 0 H LEU B 11 -11.888 6.793 -8.539 1.00 42.02 H new ATOM 0 HA LEU B 11 -13.831 8.165 -6.751 1.00 22.44 H new ATOM 0 HB2 LEU B 11 -15.175 6.473 -7.372 1.00 44.54 H new ATOM 0 HB3 LEU B 11 -13.855 5.394 -7.778 1.00 44.54 H new ATOM 0 HG LEU B 11 -13.423 5.256 -5.236 1.00 63.05 H new ATOM 0 HD11 LEU B 11 -15.390 5.645 -3.815 1.00 73.44 H new ATOM 0 HD12 LEU B 11 -14.787 7.149 -4.551 1.00 73.44 H new ATOM 0 HD13 LEU B 11 -16.244 6.362 -5.201 1.00 73.44 H new ATOM 0 HD21 LEU B 11 -15.090 3.468 -4.980 1.00 35.24 H new ATOM 0 HD22 LEU B 11 -15.925 4.044 -6.443 1.00 35.24 H new ATOM 0 HD23 LEU B 11 -14.270 3.399 -6.559 1.00 35.24 H new ATOM 669 N CYS B 12 -11.387 6.078 -6.044 1.00 23.12 N ATOM 670 CA CYS B 12 -10.309 5.828 -5.101 1.00 71.54 C ATOM 671 C CYS B 12 -9.187 6.830 -5.377 1.00 22.04 C ATOM 672 O CYS B 12 -8.260 6.963 -4.580 1.00 21.14 O ATOM 673 CB CYS B 12 -9.815 4.381 -5.179 1.00 52.22 C ATOM 674 SG CYS B 12 -8.791 3.999 -6.648 1.00 31.04 S ATOM 0 H CYS B 12 -11.503 5.360 -6.759 1.00 23.12 H new ATOM 0 HA CYS B 12 -10.673 5.965 -4.083 1.00 71.54 H new ATOM 0 HB2 CYS B 12 -9.236 4.161 -4.282 1.00 52.22 H new ATOM 0 HB3 CYS B 12 -10.679 3.716 -5.172 1.00 52.22 H new ATOM 679 N GLY B 13 -9.308 7.510 -6.507 1.00 34.52 N ATOM 680 CA GLY B 13 -8.315 8.497 -6.897 1.00 71.21 C ATOM 681 C GLY B 13 -6.905 7.906 -6.845 1.00 32.32 C ATOM 682 O GLY B 13 -5.992 8.516 -6.291 1.00 1.13 O ATOM 0 H GLY B 13 -10.079 7.397 -7.166 1.00 34.52 H new ATOM 0 HA2 GLY B 13 -8.527 8.853 -7.905 1.00 71.21 H new ATOM 0 HA3 GLY B 13 -8.376 9.361 -6.235 1.00 71.21 H new ATOM 686 N GLN B 14 -6.772 6.724 -7.430 1.00 3.25 N ATOM 687 CA GLN B 14 -5.488 6.043 -7.457 1.00 42.33 C ATOM 688 C GLN B 14 -4.842 6.184 -8.837 1.00 4.13 C ATOM 689 O GLN B 14 -5.502 5.996 -9.857 1.00 51.22 O ATOM 690 CB GLN B 14 -5.639 4.571 -7.070 1.00 14.15 C ATOM 691 CG GLN B 14 -4.327 3.813 -7.275 1.00 23.33 C ATOM 692 CD GLN B 14 -4.013 2.924 -6.069 1.00 22.22 C ATOM 693 OE1 GLN B 14 -3.066 3.145 -5.333 1.00 64.21 O ATOM 694 NE2 GLN B 14 -4.858 1.910 -5.909 1.00 72.35 N ATOM 0 H GLN B 14 -7.532 6.221 -7.889 1.00 3.25 H new ATOM 0 HA GLN B 14 -4.835 6.512 -6.721 1.00 42.33 H new ATOM 0 HB2 GLN B 14 -5.948 4.495 -6.027 1.00 14.15 H new ATOM 0 HB3 GLN B 14 -6.425 4.113 -7.669 1.00 14.15 H new ATOM 0 HG2 GLN B 14 -4.393 3.201 -8.175 1.00 23.33 H new ATOM 0 HG3 GLN B 14 -3.514 4.522 -7.430 1.00 23.33 H new ATOM 0 HE21 GLN B 14 -5.631 1.782 -6.562 1.00 72.35 H new ATOM 0 HE22 GLN B 14 -4.733 1.260 -5.133 1.00 72.35 H new ATOM 703 N VAL B 15 -3.558 6.513 -8.824 1.00 54.03 N ATOM 704 CA VAL B 15 -2.816 6.680 -10.062 1.00 42.30 C ATOM 705 C VAL B 15 -1.671 5.666 -10.105 1.00 0.51 C ATOM 706 O VAL B 15 -0.915 5.537 -9.144 1.00 1.34 O ATOM 707 CB VAL B 15 -2.339 8.128 -10.193 1.00 62.35 C ATOM 708 CG1 VAL B 15 -1.673 8.364 -11.551 1.00 23.12 C ATOM 709 CG2 VAL B 15 -3.492 9.108 -9.971 1.00 74.54 C ATOM 0 H VAL B 15 -3.013 6.668 -7.976 1.00 54.03 H new ATOM 0 HA VAL B 15 -3.456 6.484 -10.922 1.00 42.30 H new ATOM 0 HB VAL B 15 -1.594 8.307 -9.418 1.00 62.35 H new ATOM 0 HG11 VAL B 15 -1.343 9.401 -11.619 1.00 23.12 H new ATOM 0 HG12 VAL B 15 -0.813 7.702 -11.655 1.00 23.12 H new ATOM 0 HG13 VAL B 15 -2.388 8.158 -12.348 1.00 23.12 H new ATOM 0 HG21 VAL B 15 -3.125 10.130 -10.070 1.00 74.54 H new ATOM 0 HG22 VAL B 15 -4.270 8.928 -10.713 1.00 74.54 H new ATOM 0 HG23 VAL B 15 -3.904 8.965 -8.972 1.00 74.54 H new ATOM 719 N VAL B 16 -1.578 4.974 -11.231 1.00 75.35 N ATOM 720 CA VAL B 16 -0.538 3.976 -11.413 1.00 14.11 C ATOM 721 C VAL B 16 0.012 4.073 -12.838 1.00 33.14 C ATOM 722 O VAL B 16 -0.613 4.675 -13.709 1.00 35.42 O ATOM 723 CB VAL B 16 -1.081 2.587 -11.074 1.00 74.14 C ATOM 724 CG1 VAL B 16 -1.355 2.455 -9.574 1.00 71.13 C ATOM 725 CG2 VAL B 16 -2.337 2.275 -11.890 1.00 71.34 C ATOM 0 H VAL B 16 -2.206 5.085 -12.027 1.00 75.35 H new ATOM 0 HA VAL B 16 0.292 4.160 -10.731 1.00 14.11 H new ATOM 0 HB VAL B 16 -0.318 1.856 -11.340 1.00 74.14 H new ATOM 0 HG11 VAL B 16 -1.740 1.458 -9.361 1.00 71.13 H new ATOM 0 HG12 VAL B 16 -0.430 2.613 -9.020 1.00 71.13 H new ATOM 0 HG13 VAL B 16 -2.091 3.200 -9.272 1.00 71.13 H new ATOM 0 HG21 VAL B 16 -2.703 1.282 -11.630 1.00 71.34 H new ATOM 0 HG22 VAL B 16 -3.107 3.014 -11.670 1.00 71.34 H new ATOM 0 HG23 VAL B 16 -2.097 2.306 -12.953 1.00 71.34 H new ATOM 735 N LYS B 17 1.176 3.470 -13.030 1.00 42.21 N ATOM 736 CA LYS B 17 1.817 3.481 -14.333 1.00 63.44 C ATOM 737 C LYS B 17 1.823 2.062 -14.906 1.00 32.42 C ATOM 738 O LYS B 17 1.658 1.090 -14.169 1.00 54.31 O ATOM 739 CB LYS B 17 3.208 4.112 -14.242 1.00 22.12 C ATOM 740 CG LYS B 17 3.611 4.747 -15.575 1.00 32.45 C ATOM 741 CD LYS B 17 5.022 4.318 -15.982 1.00 22.24 C ATOM 742 CE LYS B 17 4.977 3.147 -16.965 1.00 31.42 C ATOM 743 NZ LYS B 17 6.133 3.200 -17.888 1.00 13.30 N ATOM 0 H LYS B 17 1.691 2.971 -12.305 1.00 42.21 H new ATOM 0 HA LYS B 17 1.254 4.104 -15.028 1.00 63.44 H new ATOM 0 HB2 LYS B 17 3.217 4.868 -13.457 1.00 22.12 H new ATOM 0 HB3 LYS B 17 3.938 3.353 -13.961 1.00 22.12 H new ATOM 0 HG2 LYS B 17 2.901 4.457 -16.350 1.00 32.45 H new ATOM 0 HG3 LYS B 17 3.567 5.833 -15.493 1.00 32.45 H new ATOM 0 HD2 LYS B 17 5.545 5.159 -16.437 1.00 22.24 H new ATOM 0 HD3 LYS B 17 5.589 4.032 -15.096 1.00 22.24 H new ATOM 0 HE2 LYS B 17 4.984 2.205 -16.418 1.00 31.42 H new ATOM 0 HE3 LYS B 17 4.048 3.178 -17.534 1.00 31.42 H new ATOM 0 HZ1 LYS B 17 5.907 2.676 -18.757 1.00 13.30 H new ATOM 0 HZ2 LYS B 17 6.342 4.191 -18.126 1.00 13.30 H new ATOM 0 HZ3 LYS B 17 6.963 2.771 -17.430 1.00 13.30 H new ATOM 756 N VAL B 18 2.015 1.986 -16.215 1.00 15.32 N ATOM 757 CA VAL B 18 2.044 0.702 -16.894 1.00 34.11 C ATOM 758 C VAL B 18 3.480 0.386 -17.315 1.00 43.04 C ATOM 759 O VAL B 18 3.880 0.681 -18.441 1.00 70.12 O ATOM 760 CB VAL B 18 1.064 0.710 -18.069 1.00 33.31 C ATOM 761 CG1 VAL B 18 1.140 -0.602 -18.854 1.00 14.10 C ATOM 762 CG2 VAL B 18 -0.364 0.980 -17.589 1.00 75.35 C ATOM 0 H VAL B 18 2.152 2.793 -16.823 1.00 15.32 H new ATOM 0 HA VAL B 18 1.720 -0.093 -16.223 1.00 34.11 H new ATOM 0 HB VAL B 18 1.351 1.520 -18.740 1.00 33.31 H new ATOM 0 HG11 VAL B 18 0.434 -0.571 -19.684 1.00 14.10 H new ATOM 0 HG12 VAL B 18 2.150 -0.736 -19.242 1.00 14.10 H new ATOM 0 HG13 VAL B 18 0.890 -1.435 -18.196 1.00 14.10 H new ATOM 0 HG21 VAL B 18 -1.041 0.981 -18.443 1.00 75.35 H new ATOM 0 HG22 VAL B 18 -0.665 0.202 -16.888 1.00 75.35 H new ATOM 0 HG23 VAL B 18 -0.404 1.950 -17.094 1.00 75.35 H new ATOM 772 N LEU B 19 4.217 -0.211 -16.390 1.00 50.11 N ATOM 773 CA LEU B 19 5.600 -0.570 -16.652 1.00 60.31 C ATOM 774 C LEU B 19 5.644 -1.682 -17.701 1.00 62.54 C ATOM 775 O LEU B 19 6.488 -1.666 -18.595 1.00 45.54 O ATOM 776 CB LEU B 19 6.317 -0.927 -15.348 1.00 10.31 C ATOM 777 CG LEU B 19 7.846 -0.946 -15.408 1.00 23.45 C ATOM 778 CD1 LEU B 19 8.451 -0.342 -14.139 1.00 43.31 C ATOM 779 CD2 LEU B 19 8.366 -2.360 -15.672 1.00 65.24 C ATOM 0 H LEU B 19 3.882 -0.455 -15.458 1.00 50.11 H new ATOM 0 HA LEU B 19 6.142 0.280 -17.065 1.00 60.31 H new ATOM 0 HB2 LEU B 19 6.012 -0.214 -14.582 1.00 10.31 H new ATOM 0 HB3 LEU B 19 5.973 -1.910 -15.025 1.00 10.31 H new ATOM 0 HG LEU B 19 8.163 -0.324 -16.245 1.00 23.45 H new ATOM 0 HD11 LEU B 19 9.539 -0.367 -14.207 1.00 43.31 H new ATOM 0 HD12 LEU B 19 8.118 0.690 -14.033 1.00 43.31 H new ATOM 0 HD13 LEU B 19 8.128 -0.918 -13.272 1.00 43.31 H new ATOM 0 HD21 LEU B 19 9.455 -2.346 -15.710 1.00 65.24 H new ATOM 0 HD22 LEU B 19 8.039 -3.023 -14.871 1.00 65.24 H new ATOM 0 HD23 LEU B 19 7.974 -2.720 -16.623 1.00 65.24 H new ATOM 791 N GLU B 20 4.722 -2.624 -17.557 1.00 63.14 N ATOM 792 CA GLU B 20 4.645 -3.743 -18.482 1.00 42.53 C ATOM 793 C GLU B 20 3.187 -4.029 -18.848 1.00 42.20 C ATOM 794 O GLU B 20 2.384 -4.379 -17.985 1.00 23.51 O ATOM 795 CB GLU B 20 5.317 -4.985 -17.897 1.00 24.43 C ATOM 796 CG GLU B 20 4.853 -6.252 -18.618 1.00 0.12 C ATOM 797 CD GLU B 20 5.283 -6.236 -20.086 1.00 41.13 C ATOM 798 OE1 GLU B 20 5.611 -5.168 -20.625 1.00 31.51 O ATOM 799 OE2 GLU B 20 5.270 -7.386 -20.671 1.00 75.13 O ATOM 0 H GLU B 20 4.023 -2.635 -16.814 1.00 63.14 H new ATOM 0 HA GLU B 20 5.182 -3.475 -19.392 1.00 42.53 H new ATOM 0 HB2 GLU B 20 6.400 -4.890 -17.981 1.00 24.43 H new ATOM 0 HB3 GLU B 20 5.085 -5.062 -16.835 1.00 24.43 H new ATOM 0 HG2 GLU B 20 5.269 -7.129 -18.123 1.00 0.12 H new ATOM 0 HG3 GLU B 20 3.768 -6.334 -18.554 1.00 0.12 H new ATOM 806 N GLU B 21 2.889 -3.868 -20.129 1.00 23.35 N ATOM 807 CA GLU B 21 1.542 -4.105 -20.620 1.00 10.04 C ATOM 808 C GLU B 21 0.979 -5.396 -20.021 1.00 42.51 C ATOM 809 O GLU B 21 1.734 -6.283 -19.627 1.00 23.42 O ATOM 810 CB GLU B 21 1.516 -4.152 -22.149 1.00 32.42 C ATOM 811 CG GLU B 21 0.082 -4.262 -22.669 1.00 12.03 C ATOM 812 CD GLU B 21 0.050 -4.231 -24.199 1.00 34.45 C ATOM 813 OE1 GLU B 21 0.453 -3.229 -24.807 1.00 21.34 O ATOM 814 OE2 GLU B 21 -0.416 -5.299 -24.755 1.00 41.34 O ATOM 0 H GLU B 21 3.558 -3.576 -20.842 1.00 23.35 H new ATOM 0 HA GLU B 21 0.909 -3.275 -20.305 1.00 10.04 H new ATOM 0 HB2 GLU B 21 1.985 -3.254 -22.552 1.00 32.42 H new ATOM 0 HB3 GLU B 21 2.100 -5.002 -22.500 1.00 32.42 H new ATOM 0 HG2 GLU B 21 -0.369 -5.188 -22.311 1.00 12.03 H new ATOM 0 HG3 GLU B 21 -0.516 -3.442 -22.272 1.00 12.03 H new ATOM 821 N GLY B 22 -0.344 -5.460 -19.972 1.00 41.14 N ATOM 822 CA GLY B 22 -1.017 -6.627 -19.429 1.00 13.31 C ATOM 823 C GLY B 22 -2.124 -7.109 -20.368 1.00 61.34 C ATOM 824 O GLY B 22 -2.390 -6.481 -21.393 1.00 61.31 O ATOM 0 H GLY B 22 -0.967 -4.722 -20.300 1.00 41.14 H new ATOM 0 HA2 GLY B 22 -0.294 -7.428 -19.272 1.00 13.31 H new ATOM 0 HA3 GLY B 22 -1.442 -6.386 -18.455 1.00 13.31 H new ATOM 828 N GLY B 23 -2.738 -8.219 -19.988 1.00 63.21 N ATOM 829 CA GLY B 23 -3.809 -8.793 -20.784 1.00 62.33 C ATOM 830 C GLY B 23 -5.177 -8.445 -20.195 1.00 34.32 C ATOM 831 O GLY B 23 -6.078 -8.021 -20.917 1.00 12.34 O ATOM 0 H GLY B 23 -2.514 -8.737 -19.138 1.00 63.21 H new ATOM 0 HA2 GLY B 23 -3.745 -8.423 -21.807 1.00 62.33 H new ATOM 0 HA3 GLY B 23 -3.693 -9.876 -20.829 1.00 62.33 H new ATOM 835 N GLY B 24 -5.290 -8.638 -18.889 1.00 43.24 N ATOM 836 CA GLY B 24 -6.532 -8.350 -18.195 1.00 15.22 C ATOM 837 C GLY B 24 -6.749 -6.841 -18.060 1.00 24.03 C ATOM 838 O GLY B 24 -6.336 -6.072 -18.927 1.00 10.33 O ATOM 0 H GLY B 24 -4.541 -8.991 -18.294 1.00 43.24 H new ATOM 0 HA2 GLY B 24 -7.367 -8.794 -18.737 1.00 15.22 H new ATOM 0 HA3 GLY B 24 -6.515 -8.808 -17.206 1.00 15.22 H new ATOM 842 N THR B 25 -7.394 -6.463 -16.967 1.00 55.40 N ATOM 843 CA THR B 25 -7.670 -5.060 -16.708 1.00 14.03 C ATOM 844 C THR B 25 -7.107 -4.648 -15.346 1.00 61.43 C ATOM 845 O THR B 25 -6.915 -5.490 -14.470 1.00 13.55 O ATOM 846 CB THR B 25 -9.180 -4.844 -16.831 1.00 41.23 C ATOM 847 OG1 THR B 25 -9.408 -4.788 -18.237 1.00 35.33 O ATOM 848 CG2 THR B 25 -9.618 -3.467 -16.328 1.00 25.33 C ATOM 0 H THR B 25 -7.734 -7.104 -16.250 1.00 55.40 H new ATOM 0 HA THR B 25 -7.175 -4.419 -17.437 1.00 14.03 H new ATOM 0 HB THR B 25 -9.704 -5.618 -16.271 1.00 41.23 H new ATOM 0 HG1 THR B 25 -10.363 -4.652 -18.408 1.00 35.33 H new ATOM 0 HG21 THR B 25 -10.698 -3.366 -16.438 1.00 25.33 H new ATOM 0 HG22 THR B 25 -9.349 -3.361 -15.277 1.00 25.33 H new ATOM 0 HG23 THR B 25 -9.120 -2.692 -16.910 1.00 25.33 H new ATOM 856 N LEU B 26 -6.857 -3.354 -15.211 1.00 32.30 N ATOM 857 CA LEU B 26 -6.319 -2.821 -13.972 1.00 34.00 C ATOM 858 C LEU B 26 -7.473 -2.458 -13.034 1.00 60.13 C ATOM 859 O LEU B 26 -7.961 -1.328 -13.054 1.00 70.54 O ATOM 860 CB LEU B 26 -5.369 -1.656 -14.256 1.00 64.34 C ATOM 861 CG LEU B 26 -4.156 -1.979 -15.134 1.00 14.15 C ATOM 862 CD1 LEU B 26 -3.419 -0.701 -15.541 1.00 31.32 C ATOM 863 CD2 LEU B 26 -3.230 -2.980 -14.441 1.00 21.03 C ATOM 0 H LEU B 26 -7.017 -2.659 -15.940 1.00 32.30 H new ATOM 0 HA LEU B 26 -5.718 -3.575 -13.463 1.00 34.00 H new ATOM 0 HB2 LEU B 26 -5.937 -0.858 -14.734 1.00 64.34 H new ATOM 0 HB3 LEU B 26 -5.010 -1.265 -13.304 1.00 64.34 H new ATOM 0 HG LEU B 26 -4.512 -2.451 -16.050 1.00 14.15 H new ATOM 0 HD11 LEU B 26 -2.562 -0.958 -16.164 1.00 31.32 H new ATOM 0 HD12 LEU B 26 -4.094 -0.054 -16.102 1.00 31.32 H new ATOM 0 HD13 LEU B 26 -3.075 -0.179 -14.648 1.00 31.32 H new ATOM 0 HD21 LEU B 26 -2.377 -3.193 -15.085 1.00 21.03 H new ATOM 0 HD22 LEU B 26 -2.878 -2.558 -13.500 1.00 21.03 H new ATOM 0 HD23 LEU B 26 -3.775 -3.903 -14.244 1.00 21.03 H new ATOM 875 N VAL B 27 -7.876 -3.436 -12.237 1.00 63.30 N ATOM 876 CA VAL B 27 -8.963 -3.234 -11.295 1.00 51.02 C ATOM 877 C VAL B 27 -8.434 -2.501 -10.061 1.00 4.30 C ATOM 878 O VAL B 27 -7.275 -2.670 -9.683 1.00 44.12 O ATOM 879 CB VAL B 27 -9.620 -4.574 -10.958 1.00 0.35 C ATOM 880 CG1 VAL B 27 -10.387 -4.491 -9.637 1.00 15.32 C ATOM 881 CG2 VAL B 27 -10.533 -5.039 -12.095 1.00 3.22 C ATOM 0 H VAL B 27 -7.469 -4.371 -12.224 1.00 63.30 H new ATOM 0 HA VAL B 27 -9.739 -2.609 -11.737 1.00 51.02 H new ATOM 0 HB VAL B 27 -8.829 -5.315 -10.840 1.00 0.35 H new ATOM 0 HG11 VAL B 27 -10.844 -5.456 -9.421 1.00 15.32 H new ATOM 0 HG12 VAL B 27 -9.700 -4.227 -8.833 1.00 15.32 H new ATOM 0 HG13 VAL B 27 -11.164 -3.731 -9.715 1.00 15.32 H new ATOM 0 HG21 VAL B 27 -10.987 -5.994 -11.830 1.00 3.22 H new ATOM 0 HG22 VAL B 27 -11.315 -4.298 -12.260 1.00 3.22 H new ATOM 0 HG23 VAL B 27 -9.947 -5.157 -13.007 1.00 3.22 H new ATOM 891 N CYS B 28 -9.306 -1.701 -9.467 1.00 15.41 N ATOM 892 CA CYS B 28 -8.941 -0.941 -8.284 1.00 11.54 C ATOM 893 C CYS B 28 -10.226 -0.521 -7.566 1.00 51.01 C ATOM 894 O CYS B 28 -11.170 -0.054 -8.199 1.00 51.05 O ATOM 895 CB CYS B 28 -8.064 0.263 -8.633 1.00 0.42 C ATOM 896 SG CYS B 28 -8.946 1.647 -9.440 1.00 55.43 S ATOM 0 H CYS B 28 -10.266 -1.562 -9.783 1.00 15.41 H new ATOM 0 HA CYS B 28 -8.342 -1.564 -7.620 1.00 11.54 H new ATOM 0 HB2 CYS B 28 -7.597 0.632 -7.719 1.00 0.42 H new ATOM 0 HB3 CYS B 28 -7.260 -0.069 -9.290 1.00 0.42 H new ATOM 901 N CYS B 29 -10.219 -0.704 -6.254 1.00 31.33 N ATOM 902 CA CYS B 29 -11.373 -0.351 -5.443 1.00 23.33 C ATOM 903 C CYS B 29 -12.622 -0.931 -6.108 1.00 54.13 C ATOM 904 O CYS B 29 -13.460 -0.188 -6.618 1.00 60.15 O ATOM 905 CB CYS B 29 -11.481 1.162 -5.243 1.00 61.53 C ATOM 906 SG CYS B 29 -11.989 2.098 -6.731 1.00 71.15 S ATOM 0 H CYS B 29 -9.433 -1.092 -5.732 1.00 31.33 H new ATOM 0 HA CYS B 29 -11.265 -0.776 -4.445 1.00 23.33 H new ATOM 0 HB2 CYS B 29 -12.197 1.359 -4.445 1.00 61.53 H new ATOM 0 HB3 CYS B 29 -10.516 1.540 -4.905 1.00 61.53 H new ATOM 911 N GLY B 30 -12.710 -2.252 -6.080 1.00 72.14 N ATOM 912 CA GLY B 30 -13.844 -2.941 -6.674 1.00 11.44 C ATOM 913 C GLY B 30 -14.300 -2.239 -7.955 1.00 32.33 C ATOM 914 O GLY B 30 -15.483 -2.264 -8.292 1.00 60.23 O ATOM 0 H GLY B 30 -12.014 -2.865 -5.655 1.00 72.14 H new ATOM 0 HA2 GLY B 30 -13.572 -3.973 -6.897 1.00 11.44 H new ATOM 0 HA3 GLY B 30 -14.668 -2.976 -5.961 1.00 11.44 H new ATOM 918 N GLU B 31 -13.339 -1.631 -8.634 1.00 64.32 N ATOM 919 CA GLU B 31 -13.628 -0.925 -9.870 1.00 43.43 C ATOM 920 C GLU B 31 -12.540 -1.206 -10.909 1.00 43.14 C ATOM 921 O GLU B 31 -11.734 -2.120 -10.737 1.00 45.43 O ATOM 922 CB GLU B 31 -13.773 0.577 -9.623 1.00 11.21 C ATOM 923 CG GLU B 31 -15.235 1.015 -9.744 1.00 65.35 C ATOM 924 CD GLU B 31 -15.412 2.023 -10.880 1.00 51.55 C ATOM 925 OE1 GLU B 31 -14.800 1.870 -11.948 1.00 4.31 O ATOM 926 OE2 GLU B 31 -16.221 2.995 -10.626 1.00 11.15 O ATOM 0 H GLU B 31 -12.359 -1.613 -8.351 1.00 64.32 H new ATOM 0 HA GLU B 31 -14.579 -1.290 -10.259 1.00 43.43 H new ATOM 0 HB2 GLU B 31 -13.397 0.824 -8.630 1.00 11.21 H new ATOM 0 HB3 GLU B 31 -13.164 1.127 -10.340 1.00 11.21 H new ATOM 0 HG2 GLU B 31 -15.866 0.144 -9.924 1.00 65.35 H new ATOM 0 HG3 GLU B 31 -15.565 1.459 -8.805 1.00 65.35 H new ATOM 933 N ASP B 32 -12.552 -0.405 -11.964 1.00 21.43 N ATOM 934 CA ASP B 32 -11.576 -0.556 -13.029 1.00 73.45 C ATOM 935 C ASP B 32 -10.921 0.797 -13.312 1.00 30.15 C ATOM 936 O ASP B 32 -11.530 1.671 -13.926 1.00 63.01 O ATOM 937 CB ASP B 32 -12.242 -1.036 -14.322 1.00 22.23 C ATOM 938 CG ASP B 32 -13.217 -2.203 -14.152 1.00 32.34 C ATOM 939 OD1 ASP B 32 -12.684 -3.305 -13.744 1.00 5.34 O ATOM 940 OD2 ASP B 32 -14.425 -2.066 -14.396 1.00 31.33 O ATOM 0 H ASP B 32 -13.222 0.351 -12.104 1.00 21.43 H new ATOM 0 HA ASP B 32 -10.838 -1.290 -12.707 1.00 73.45 H new ATOM 0 HB2 ASP B 32 -12.776 -0.198 -14.771 1.00 22.23 H new ATOM 0 HB3 ASP B 32 -11.464 -1.332 -15.026 1.00 22.23 H new ATOM 945 N MET B 33 -9.687 0.929 -12.846 1.00 65.24 N ATOM 946 CA MET B 33 -8.942 2.162 -13.040 1.00 60.44 C ATOM 947 C MET B 33 -9.158 2.717 -14.449 1.00 71.34 C ATOM 948 O MET B 33 -9.504 1.975 -15.367 1.00 60.04 O ATOM 949 CB MET B 33 -7.451 1.896 -12.819 1.00 12.41 C ATOM 950 CG MET B 33 -6.873 2.853 -11.774 1.00 15.41 C ATOM 951 SD MET B 33 -5.977 1.934 -10.534 1.00 33.22 S ATOM 952 CE MET B 33 -4.949 0.920 -11.583 1.00 31.22 C ATOM 0 H MET B 33 -9.185 0.203 -12.335 1.00 65.24 H new ATOM 0 HA MET B 33 -9.300 2.899 -12.321 1.00 60.44 H new ATOM 0 HB2 MET B 33 -7.306 0.866 -12.494 1.00 12.41 H new ATOM 0 HB3 MET B 33 -6.914 2.012 -13.760 1.00 12.41 H new ATOM 0 HG2 MET B 33 -6.210 3.572 -12.255 1.00 15.41 H new ATOM 0 HG3 MET B 33 -7.676 3.423 -11.307 1.00 15.41 H new ATOM 0 HE1 MET B 33 -4.005 0.714 -11.078 1.00 31.22 H new ATOM 0 HE2 MET B 33 -5.460 -0.020 -11.794 1.00 31.22 H new ATOM 0 HE3 MET B 33 -4.754 1.445 -12.518 1.00 31.22 H new ATOM 962 N VAL B 34 -8.946 4.018 -14.576 1.00 1.52 N ATOM 963 CA VAL B 34 -9.114 4.683 -15.857 1.00 41.21 C ATOM 964 C VAL B 34 -7.738 4.991 -16.452 1.00 22.42 C ATOM 965 O VAL B 34 -6.731 4.959 -15.744 1.00 53.04 O ATOM 966 CB VAL B 34 -9.986 5.929 -15.691 1.00 0.20 C ATOM 967 CG1 VAL B 34 -10.540 6.395 -17.039 1.00 23.01 C ATOM 968 CG2 VAL B 34 -11.116 5.677 -14.691 1.00 2.44 C ATOM 0 H VAL B 34 -8.659 4.630 -13.812 1.00 1.52 H new ATOM 0 HA VAL B 34 -9.633 4.031 -16.559 1.00 41.21 H new ATOM 0 HB VAL B 34 -9.358 6.727 -15.294 1.00 0.20 H new ATOM 0 HG11 VAL B 34 -11.156 7.282 -16.892 1.00 23.01 H new ATOM 0 HG12 VAL B 34 -9.714 6.634 -17.709 1.00 23.01 H new ATOM 0 HG13 VAL B 34 -11.145 5.602 -17.478 1.00 23.01 H new ATOM 0 HG21 VAL B 34 -11.721 6.578 -14.591 1.00 2.44 H new ATOM 0 HG22 VAL B 34 -11.741 4.858 -15.047 1.00 2.44 H new ATOM 0 HG23 VAL B 34 -10.692 5.415 -13.721 1.00 2.44 H new ATOM 978 N LYS B 35 -7.738 5.282 -17.744 1.00 71.42 N ATOM 979 CA LYS B 35 -6.502 5.595 -18.441 1.00 12.54 C ATOM 980 C LYS B 35 -6.513 7.069 -18.852 1.00 55.03 C ATOM 981 O LYS B 35 -7.554 7.604 -19.231 1.00 74.50 O ATOM 982 CB LYS B 35 -6.288 4.633 -19.610 1.00 22.45 C ATOM 983 CG LYS B 35 -6.912 5.181 -20.894 1.00 41.35 C ATOM 984 CD LYS B 35 -5.880 5.957 -21.717 1.00 54.32 C ATOM 985 CE LYS B 35 -4.900 5.006 -22.404 1.00 45.54 C ATOM 986 NZ LYS B 35 -3.862 5.770 -23.134 1.00 2.33 N ATOM 0 H LYS B 35 -8.575 5.308 -18.327 1.00 71.42 H new ATOM 0 HA LYS B 35 -5.646 5.454 -17.781 1.00 12.54 H new ATOM 0 HB2 LYS B 35 -5.221 4.471 -19.761 1.00 22.45 H new ATOM 0 HB3 LYS B 35 -6.727 3.664 -19.373 1.00 22.45 H new ATOM 0 HG2 LYS B 35 -7.312 4.359 -21.488 1.00 41.35 H new ATOM 0 HG3 LYS B 35 -7.750 5.833 -20.646 1.00 41.35 H new ATOM 0 HD2 LYS B 35 -6.389 6.564 -22.466 1.00 54.32 H new ATOM 0 HD3 LYS B 35 -5.334 6.642 -21.069 1.00 54.32 H new ATOM 0 HE2 LYS B 35 -4.430 4.360 -21.662 1.00 45.54 H new ATOM 0 HE3 LYS B 35 -5.438 4.358 -23.096 1.00 45.54 H new ATOM 0 HZ1 LYS B 35 -2.949 5.279 -23.054 1.00 2.33 H new ATOM 0 HZ2 LYS B 35 -4.128 5.846 -24.137 1.00 2.33 H new ATOM 0 HZ3 LYS B 35 -3.780 6.723 -22.725 1.00 2.33 H new ATOM 999 N GLN B 36 -5.343 7.684 -18.763 1.00 71.32 N ATOM 1000 CA GLN B 36 -5.205 9.085 -19.121 1.00 53.22 C ATOM 1001 C GLN B 36 -4.977 9.229 -20.627 1.00 64.43 C ATOM 1002 O GLN B 36 -3.856 9.484 -21.066 1.00 52.24 O ATOM 1003 CB GLN B 36 -4.074 9.745 -18.330 1.00 13.21 C ATOM 1004 CG GLN B 36 -4.051 9.243 -16.885 1.00 20.25 C ATOM 1005 CD GLN B 36 -5.094 9.971 -16.034 1.00 12.04 C ATOM 1006 OE1 GLN B 36 -4.884 11.076 -15.560 1.00 21.51 O ATOM 1007 NE2 GLN B 36 -6.226 9.293 -15.867 1.00 61.13 N ATOM 0 H GLN B 36 -4.482 7.237 -18.448 1.00 71.32 H new ATOM 0 HA GLN B 36 -6.132 9.598 -18.863 1.00 53.22 H new ATOM 0 HB2 GLN B 36 -3.118 9.532 -18.808 1.00 13.21 H new ATOM 0 HB3 GLN B 36 -4.201 10.827 -18.341 1.00 13.21 H new ATOM 0 HG2 GLN B 36 -4.245 8.171 -16.866 1.00 20.25 H new ATOM 0 HG3 GLN B 36 -3.059 9.395 -16.459 1.00 20.25 H new ATOM 0 HE21 GLN B 36 -6.336 8.372 -16.292 1.00 61.13 H new ATOM 0 HE22 GLN B 36 -6.984 9.694 -15.314 1.00 61.13 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -3.054 -10.165 -14.860 1.00 62.21 ZN HETATM 1018 ZN ZN B 37 -10.396 2.847 -8.031 1.00 20.42 ZN