USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=10 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: B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 36 GLN : amide:sc= -2.75! C(o=-2.7!,f=-2.1!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.4!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -6.34! C(o=-6.3!,f=-15!) USER MOD Single : A 17 LYS NZ :NH3+ 141:sc= -0.407 (180deg=-2.54!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -135:sc= -5.58! (180deg=-7.55!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.66! K(o=-1.7!,f=-0.7) USER MOD Single : B 1 ALA N :NH3+ -109:sc= 0.298 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -5.51! C(o=-5.5!,f=-8.7!) USER MOD Single : B 7 TYR OH : rot 180:sc= -0.288 USER MOD Single : B 14 GLN : amide:sc= -9.61! C(o=-9.6!,f=-9.7!) USER MOD Single : B 17 LYS NZ :NH3+ -174:sc= -1.69! (180deg=-1.73!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl 156:sc= -3.21! (180deg=-7.66!) USER MOD Single : B 35 LYS NZ :NH3+ -113:sc= 0.124 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.490 0.687 0.276 1.00 31.44 N ATOM 2 CA ALA A 1 1.506 0.939 -0.730 1.00 51.23 C ATOM 3 C ALA A 1 1.891 2.420 -0.701 1.00 55.00 C ATOM 4 O ALA A 1 1.065 3.285 -0.985 1.00 33.04 O ATOM 5 CB ALA A 1 0.988 0.499 -2.102 1.00 12.44 C ATOM 0 H1 ALA A 1 0.226 -0.319 0.259 1.00 31.44 H new ATOM 0 H2 ALA A 1 0.864 0.931 1.215 1.00 31.44 H new ATOM 0 H3 ALA A 1 -0.349 1.268 0.076 1.00 31.44 H new ATOM 0 HA ALA A 1 2.405 0.360 -0.519 1.00 51.23 H new ATOM 0 HB1 ALA A 1 1.751 0.688 -2.857 1.00 12.44 H new ATOM 0 HB2 ALA A 1 0.757 -0.566 -2.079 1.00 12.44 H new ATOM 0 HB3 ALA A 1 0.087 1.061 -2.348 1.00 12.44 H new ATOM 11 N ASN A 2 3.146 2.665 -0.354 1.00 11.32 N ATOM 12 CA ASN A 2 3.650 4.026 -0.283 1.00 13.42 C ATOM 13 C ASN A 2 4.106 4.470 -1.674 1.00 4.04 C ATOM 14 O ASN A 2 4.945 3.817 -2.293 1.00 22.30 O ATOM 15 CB ASN A 2 4.851 4.121 0.661 1.00 14.12 C ATOM 16 CG ASN A 2 5.827 2.967 0.423 1.00 40.21 C ATOM 17 OD1 ASN A 2 6.331 2.762 -0.669 1.00 5.43 O ATOM 18 ND2 ASN A 2 6.064 2.228 1.503 1.00 24.12 N ATOM 0 H ASN A 2 3.829 1.944 -0.119 1.00 11.32 H new ATOM 0 HA ASN A 2 2.848 4.663 0.089 1.00 13.42 H new ATOM 0 HB2 ASN A 2 5.362 5.072 0.510 1.00 14.12 H new ATOM 0 HB3 ASN A 2 4.508 4.104 1.695 1.00 14.12 H new ATOM 0 HD21 ASN A 2 6.702 1.434 1.448 1.00 24.12 H new ATOM 0 HD22 ASN A 2 5.608 2.455 2.387 1.00 24.12 H new ATOM 25 N GLU A 3 3.535 5.577 -2.125 1.00 31.21 N ATOM 26 CA GLU A 3 3.873 6.114 -3.431 1.00 55.43 C ATOM 27 C GLU A 3 5.263 5.640 -3.857 1.00 43.52 C ATOM 28 O GLU A 3 6.213 5.714 -3.079 1.00 50.23 O ATOM 29 CB GLU A 3 3.790 7.643 -3.433 1.00 72.32 C ATOM 30 CG GLU A 3 4.290 8.217 -4.760 1.00 63.32 C ATOM 31 CD GLU A 3 4.196 9.745 -4.767 1.00 24.40 C ATOM 32 OE1 GLU A 3 3.102 10.298 -4.591 1.00 54.42 O ATOM 33 OE2 GLU A 3 5.313 10.359 -4.962 1.00 24.43 O ATOM 0 H GLU A 3 2.840 6.117 -1.609 1.00 31.21 H new ATOM 0 HA GLU A 3 3.147 5.742 -4.154 1.00 55.43 H new ATOM 0 HB2 GLU A 3 2.760 7.955 -3.263 1.00 72.32 H new ATOM 0 HB3 GLU A 3 4.384 8.044 -2.612 1.00 72.32 H new ATOM 0 HG2 GLU A 3 5.323 7.912 -4.926 1.00 63.32 H new ATOM 0 HG3 GLU A 3 3.701 7.809 -5.582 1.00 63.32 H new ATOM 40 N GLY A 4 5.339 5.165 -5.091 1.00 62.53 N ATOM 41 CA GLY A 4 6.598 4.678 -5.630 1.00 53.51 C ATOM 42 C GLY A 4 6.662 3.150 -5.579 1.00 3.30 C ATOM 43 O GLY A 4 7.716 2.562 -5.813 1.00 44.33 O ATOM 0 H GLY A 4 4.549 5.107 -5.734 1.00 62.53 H new ATOM 0 HA2 GLY A 4 6.712 5.016 -6.660 1.00 53.51 H new ATOM 0 HA3 GLY A 4 7.428 5.099 -5.063 1.00 53.51 H new ATOM 47 N ASP A 5 5.521 2.552 -5.272 1.00 24.40 N ATOM 48 CA ASP A 5 5.435 1.104 -5.187 1.00 72.55 C ATOM 49 C ASP A 5 5.156 0.532 -6.579 1.00 14.21 C ATOM 50 O ASP A 5 4.226 0.966 -7.258 1.00 10.12 O ATOM 51 CB ASP A 5 4.295 0.673 -4.262 1.00 24.12 C ATOM 52 CG ASP A 5 4.175 1.479 -2.967 1.00 33.12 C ATOM 53 OD1 ASP A 5 4.972 1.309 -2.033 1.00 15.04 O ATOM 54 OD2 ASP A 5 3.199 2.322 -2.939 1.00 42.30 O ATOM 0 H ASP A 5 4.648 3.043 -5.079 1.00 24.40 H new ATOM 0 HA ASP A 5 6.380 0.733 -4.791 1.00 72.55 H new ATOM 0 HB2 ASP A 5 3.355 0.749 -4.808 1.00 24.12 H new ATOM 0 HB3 ASP A 5 4.431 -0.378 -4.007 1.00 24.12 H new ATOM 59 N VAL A 6 5.978 -0.435 -6.962 1.00 11.40 N ATOM 60 CA VAL A 6 5.831 -1.070 -8.261 1.00 32.44 C ATOM 61 C VAL A 6 5.237 -2.468 -8.074 1.00 54.12 C ATOM 62 O VAL A 6 5.689 -3.230 -7.221 1.00 42.50 O ATOM 63 CB VAL A 6 7.175 -1.084 -8.991 1.00 61.00 C ATOM 64 CG1 VAL A 6 7.180 -2.126 -10.111 1.00 13.04 C ATOM 65 CG2 VAL A 6 7.520 0.305 -9.532 1.00 34.10 C ATOM 0 H VAL A 6 6.747 -0.794 -6.396 1.00 11.40 H new ATOM 0 HA VAL A 6 5.142 -0.504 -8.888 1.00 32.44 H new ATOM 0 HB VAL A 6 7.944 -1.363 -8.271 1.00 61.00 H new ATOM 0 HG11 VAL A 6 8.147 -2.115 -10.614 1.00 13.04 H new ATOM 0 HG12 VAL A 6 7.002 -3.115 -9.689 1.00 13.04 H new ATOM 0 HG13 VAL A 6 6.395 -1.891 -10.830 1.00 13.04 H new ATOM 0 HG21 VAL A 6 8.480 0.267 -10.046 1.00 34.10 H new ATOM 0 HG22 VAL A 6 6.747 0.626 -10.230 1.00 34.10 H new ATOM 0 HG23 VAL A 6 7.579 1.013 -8.705 1.00 34.10 H new ATOM 75 N TYR A 7 4.233 -2.762 -8.888 1.00 24.33 N ATOM 76 CA TYR A 7 3.572 -4.055 -8.824 1.00 3.21 C ATOM 77 C TYR A 7 3.615 -4.761 -10.180 1.00 43.01 C ATOM 78 O TYR A 7 3.757 -4.113 -11.216 1.00 62.23 O ATOM 79 CB TYR A 7 2.115 -3.766 -8.458 1.00 73.14 C ATOM 80 CG TYR A 7 1.857 -3.674 -6.953 1.00 53.44 C ATOM 81 CD1 TYR A 7 2.497 -2.710 -6.202 1.00 11.51 C ATOM 82 CD2 TYR A 7 0.984 -4.554 -6.347 1.00 72.12 C ATOM 83 CE1 TYR A 7 2.254 -2.622 -4.785 1.00 30.41 C ATOM 84 CE2 TYR A 7 0.741 -4.467 -4.931 1.00 41.22 C ATOM 85 CZ TYR A 7 1.388 -3.505 -4.220 1.00 32.23 C ATOM 86 OH TYR A 7 1.159 -3.423 -2.882 1.00 32.44 O ATOM 0 H TYR A 7 3.861 -2.127 -9.595 1.00 24.33 H new ATOM 0 HA TYR A 7 4.065 -4.702 -8.098 1.00 3.21 H new ATOM 0 HB2 TYR A 7 1.813 -2.829 -8.926 1.00 73.14 H new ATOM 0 HB3 TYR A 7 1.484 -4.550 -8.877 1.00 73.14 H new ATOM 0 HD1 TYR A 7 3.180 -2.021 -6.677 1.00 11.51 H new ATOM 0 HD2 TYR A 7 0.483 -5.308 -6.935 1.00 72.12 H new ATOM 0 HE1 TYR A 7 2.748 -1.872 -4.185 1.00 30.41 H new ATOM 0 HE2 TYR A 7 0.061 -5.150 -4.444 1.00 41.22 H new ATOM 0 HH TYR A 7 0.518 -4.115 -2.617 1.00 32.44 H new ATOM 96 N LYS A 8 3.491 -6.079 -10.130 1.00 1.44 N ATOM 97 CA LYS A 8 3.515 -6.879 -11.342 1.00 32.31 C ATOM 98 C LYS A 8 2.559 -8.064 -11.184 1.00 74.14 C ATOM 99 O LYS A 8 2.401 -8.597 -10.087 1.00 1.35 O ATOM 100 CB LYS A 8 4.948 -7.288 -11.687 1.00 54.23 C ATOM 101 CG LYS A 8 4.978 -8.194 -12.920 1.00 60.41 C ATOM 102 CD LYS A 8 6.387 -8.741 -13.163 1.00 35.10 C ATOM 103 CE LYS A 8 6.398 -9.719 -14.339 1.00 44.43 C ATOM 104 NZ LYS A 8 7.784 -10.131 -14.657 1.00 3.21 N ATOM 0 H LYS A 8 3.374 -6.613 -9.269 1.00 1.44 H new ATOM 0 HA LYS A 8 3.162 -6.294 -12.191 1.00 32.31 H new ATOM 0 HB2 LYS A 8 5.550 -6.398 -11.871 1.00 54.23 H new ATOM 0 HB3 LYS A 8 5.396 -7.806 -10.839 1.00 54.23 H new ATOM 0 HG2 LYS A 8 4.281 -9.021 -12.785 1.00 60.41 H new ATOM 0 HG3 LYS A 8 4.645 -7.635 -13.795 1.00 60.41 H new ATOM 0 HD2 LYS A 8 7.072 -7.917 -13.364 1.00 35.10 H new ATOM 0 HD3 LYS A 8 6.747 -9.242 -12.265 1.00 35.10 H new ATOM 0 HE2 LYS A 8 5.798 -10.596 -14.096 1.00 44.43 H new ATOM 0 HE3 LYS A 8 5.941 -9.253 -15.212 1.00 44.43 H new ATOM 0 HZ1 LYS A 8 7.774 -10.795 -15.458 1.00 3.21 H new ATOM 0 HZ2 LYS A 8 8.346 -9.293 -14.909 1.00 3.21 H new ATOM 0 HZ3 LYS A 8 8.207 -10.595 -13.828 1.00 3.21 H new ATOM 117 N CYS A 9 1.947 -8.441 -12.297 1.00 73.44 N ATOM 118 CA CYS A 9 1.011 -9.553 -12.296 1.00 15.34 C ATOM 119 C CYS A 9 1.812 -10.855 -12.354 1.00 42.35 C ATOM 120 O CYS A 9 2.949 -10.868 -12.825 1.00 54.01 O ATOM 121 CB CYS A 9 0.007 -9.448 -13.445 1.00 52.24 C ATOM 122 SG CYS A 9 -1.543 -10.393 -13.200 1.00 70.41 S ATOM 0 H CYS A 9 2.081 -7.997 -13.205 1.00 73.44 H new ATOM 0 HA CYS A 9 0.419 -9.533 -11.381 1.00 15.34 H new ATOM 0 HB2 CYS A 9 -0.244 -8.398 -13.595 1.00 52.24 H new ATOM 0 HB3 CYS A 9 0.486 -9.795 -14.361 1.00 52.24 H new ATOM 127 N GLU A 10 1.188 -11.918 -11.870 1.00 71.42 N ATOM 128 CA GLU A 10 1.828 -13.223 -11.862 1.00 2.45 C ATOM 129 C GLU A 10 1.216 -14.122 -12.936 1.00 75.44 C ATOM 130 O GLU A 10 1.274 -15.347 -12.834 1.00 44.53 O ATOM 131 CB GLU A 10 1.729 -13.873 -10.481 1.00 5.15 C ATOM 132 CG GLU A 10 2.804 -13.328 -9.538 1.00 43.34 C ATOM 133 CD GLU A 10 4.203 -13.720 -10.018 1.00 11.51 C ATOM 134 OE1 GLU A 10 4.689 -14.811 -9.685 1.00 41.32 O ATOM 135 OE2 GLU A 10 4.789 -12.846 -10.763 1.00 4.40 O ATOM 0 H GLU A 10 0.246 -11.903 -11.480 1.00 71.42 H new ATOM 0 HA GLU A 10 2.885 -13.088 -12.089 1.00 2.45 H new ATOM 0 HB2 GLU A 10 0.742 -13.687 -10.058 1.00 5.15 H new ATOM 0 HB3 GLU A 10 1.837 -14.953 -10.575 1.00 5.15 H new ATOM 0 HG2 GLU A 10 2.726 -12.242 -9.480 1.00 43.34 H new ATOM 0 HG3 GLU A 10 2.640 -13.713 -8.532 1.00 43.34 H new ATOM 142 N LEU A 11 0.641 -13.481 -13.943 1.00 1.44 N ATOM 143 CA LEU A 11 0.017 -14.207 -15.036 1.00 24.33 C ATOM 144 C LEU A 11 0.227 -13.436 -16.341 1.00 13.42 C ATOM 145 O LEU A 11 0.969 -13.878 -17.216 1.00 63.21 O ATOM 146 CB LEU A 11 -1.451 -14.494 -14.720 1.00 14.42 C ATOM 147 CG LEU A 11 -2.390 -14.596 -15.925 1.00 23.44 C ATOM 148 CD1 LEU A 11 -2.176 -15.913 -16.675 1.00 11.33 C ATOM 149 CD2 LEU A 11 -3.848 -14.407 -15.502 1.00 42.31 C ATOM 0 H LEU A 11 0.594 -12.465 -14.025 1.00 1.44 H new ATOM 0 HA LEU A 11 0.487 -15.182 -15.163 1.00 24.33 H new ATOM 0 HB2 LEU A 11 -1.506 -15.429 -14.162 1.00 14.42 H new ATOM 0 HB3 LEU A 11 -1.821 -13.708 -14.062 1.00 14.42 H new ATOM 0 HG LEU A 11 -2.149 -13.788 -16.616 1.00 23.44 H new ATOM 0 HD11 LEU A 11 -2.855 -15.961 -17.527 1.00 11.33 H new ATOM 0 HD12 LEU A 11 -1.146 -15.967 -17.028 1.00 11.33 H new ATOM 0 HD13 LEU A 11 -2.374 -16.750 -16.005 1.00 11.33 H new ATOM 0 HD21 LEU A 11 -4.494 -14.484 -16.377 1.00 42.31 H new ATOM 0 HD22 LEU A 11 -4.120 -15.178 -14.781 1.00 42.31 H new ATOM 0 HD23 LEU A 11 -3.970 -13.424 -15.046 1.00 42.31 H new ATOM 161 N CYS A 12 -0.441 -12.295 -16.430 1.00 52.51 N ATOM 162 CA CYS A 12 -0.338 -11.458 -17.613 1.00 1.30 C ATOM 163 C CYS A 12 1.010 -10.736 -17.575 1.00 22.51 C ATOM 164 O CYS A 12 1.419 -10.123 -18.560 1.00 0.33 O ATOM 165 CB CYS A 12 -1.508 -10.476 -17.715 1.00 3.02 C ATOM 166 SG CYS A 12 -1.435 -9.070 -16.545 1.00 62.24 S ATOM 0 H CYS A 12 -1.056 -11.931 -15.702 1.00 52.51 H new ATOM 0 HA CYS A 12 -0.391 -12.080 -18.507 1.00 1.30 H new ATOM 0 HB2 CYS A 12 -1.547 -10.083 -18.731 1.00 3.02 H new ATOM 0 HB3 CYS A 12 -2.437 -11.021 -17.548 1.00 3.02 H new ATOM 171 N GLY A 13 1.666 -10.833 -16.426 1.00 75.44 N ATOM 172 CA GLY A 13 2.960 -10.197 -16.247 1.00 33.44 C ATOM 173 C GLY A 13 2.873 -8.693 -16.513 1.00 32.32 C ATOM 174 O GLY A 13 3.728 -8.130 -17.194 1.00 63.03 O ATOM 0 H GLY A 13 1.325 -11.342 -15.611 1.00 75.44 H new ATOM 0 HA2 GLY A 13 3.317 -10.370 -15.232 1.00 33.44 H new ATOM 0 HA3 GLY A 13 3.687 -10.648 -16.922 1.00 33.44 H new ATOM 178 N GLN A 14 1.833 -8.086 -15.961 1.00 53.31 N ATOM 179 CA GLN A 14 1.624 -6.658 -16.131 1.00 12.12 C ATOM 180 C GLN A 14 2.256 -5.888 -14.969 1.00 62.13 C ATOM 181 O GLN A 14 1.877 -6.078 -13.814 1.00 71.42 O ATOM 182 CB GLN A 14 0.134 -6.333 -16.258 1.00 5.03 C ATOM 183 CG GLN A 14 -0.091 -4.823 -16.359 1.00 32.24 C ATOM 184 CD GLN A 14 -1.309 -4.395 -15.537 1.00 64.23 C ATOM 185 OE1 GLN A 14 -1.212 -3.645 -14.579 1.00 64.45 O ATOM 186 NE2 GLN A 14 -2.458 -4.910 -15.965 1.00 13.15 N ATOM 0 H GLN A 14 1.126 -8.557 -15.396 1.00 53.31 H new ATOM 0 HA GLN A 14 2.110 -6.347 -17.056 1.00 12.12 H new ATOM 0 HB2 GLN A 14 -0.275 -6.825 -17.140 1.00 5.03 H new ATOM 0 HB3 GLN A 14 -0.403 -6.727 -15.395 1.00 5.03 H new ATOM 0 HG2 GLN A 14 0.795 -4.295 -16.006 1.00 32.24 H new ATOM 0 HG3 GLN A 14 -0.235 -4.542 -17.402 1.00 32.24 H new ATOM 0 HE21 GLN A 14 -2.468 -5.531 -16.774 1.00 13.15 H new ATOM 0 HE22 GLN A 14 -3.329 -4.683 -15.485 1.00 13.15 H new ATOM 195 N VAL A 15 3.208 -5.034 -15.316 1.00 11.24 N ATOM 196 CA VAL A 15 3.895 -4.235 -14.316 1.00 43.33 C ATOM 197 C VAL A 15 3.344 -2.808 -14.342 1.00 41.24 C ATOM 198 O VAL A 15 3.129 -2.241 -15.413 1.00 61.53 O ATOM 199 CB VAL A 15 5.407 -4.295 -14.547 1.00 23.24 C ATOM 200 CG1 VAL A 15 6.165 -3.639 -13.391 1.00 3.20 C ATOM 201 CG2 VAL A 15 5.872 -5.738 -14.759 1.00 10.42 C ATOM 0 H VAL A 15 3.519 -4.878 -16.275 1.00 11.24 H new ATOM 0 HA VAL A 15 3.715 -4.635 -13.318 1.00 43.33 H new ATOM 0 HB VAL A 15 5.630 -3.734 -15.455 1.00 23.24 H new ATOM 0 HG11 VAL A 15 7.237 -3.695 -13.580 1.00 3.20 H new ATOM 0 HG12 VAL A 15 5.866 -2.594 -13.306 1.00 3.20 H new ATOM 0 HG13 VAL A 15 5.933 -4.159 -12.462 1.00 3.20 H new ATOM 0 HG21 VAL A 15 6.950 -5.753 -14.921 1.00 10.42 H new ATOM 0 HG22 VAL A 15 5.629 -6.332 -13.878 1.00 10.42 H new ATOM 0 HG23 VAL A 15 5.368 -6.158 -15.630 1.00 10.42 H new ATOM 211 N VAL A 16 3.130 -2.268 -13.152 1.00 43.30 N ATOM 212 CA VAL A 16 2.608 -0.918 -13.025 1.00 31.01 C ATOM 213 C VAL A 16 3.273 -0.228 -11.833 1.00 2.00 C ATOM 214 O VAL A 16 3.895 -0.884 -10.998 1.00 41.12 O ATOM 215 CB VAL A 16 1.082 -0.956 -12.919 1.00 13.32 C ATOM 216 CG1 VAL A 16 0.439 -1.113 -14.298 1.00 61.32 C ATOM 217 CG2 VAL A 16 0.626 -2.067 -11.971 1.00 54.30 C ATOM 0 H VAL A 16 3.309 -2.741 -12.266 1.00 43.30 H new ATOM 0 HA VAL A 16 2.845 -0.332 -13.913 1.00 31.01 H new ATOM 0 HB VAL A 16 0.752 -0.004 -12.503 1.00 13.32 H new ATOM 0 HG11 VAL A 16 -0.646 -1.137 -14.193 1.00 61.32 H new ATOM 0 HG12 VAL A 16 0.724 -0.272 -14.930 1.00 61.32 H new ATOM 0 HG13 VAL A 16 0.780 -2.042 -14.755 1.00 61.32 H new ATOM 0 HG21 VAL A 16 -0.462 -2.072 -11.914 1.00 54.30 H new ATOM 0 HG22 VAL A 16 0.974 -3.030 -12.345 1.00 54.30 H new ATOM 0 HG23 VAL A 16 1.041 -1.891 -10.978 1.00 54.30 H new ATOM 227 N LYS A 17 3.120 1.088 -11.791 1.00 33.34 N ATOM 228 CA LYS A 17 3.699 1.873 -10.714 1.00 51.44 C ATOM 229 C LYS A 17 2.576 2.536 -9.912 1.00 1.22 C ATOM 230 O LYS A 17 1.480 2.747 -10.429 1.00 3.32 O ATOM 231 CB LYS A 17 4.727 2.863 -11.266 1.00 55.00 C ATOM 232 CG LYS A 17 5.477 3.565 -10.132 1.00 31.52 C ATOM 233 CD LYS A 17 5.865 4.989 -10.530 1.00 4.42 C ATOM 234 CE LYS A 17 4.641 5.908 -10.543 1.00 4.41 C ATOM 235 NZ LYS A 17 4.503 6.568 -11.861 1.00 72.20 N ATOM 0 H LYS A 17 2.604 1.629 -12.485 1.00 33.34 H new ATOM 0 HA LYS A 17 4.247 1.230 -10.025 1.00 51.44 H new ATOM 0 HB2 LYS A 17 5.436 2.337 -11.905 1.00 55.00 H new ATOM 0 HB3 LYS A 17 4.226 3.604 -11.888 1.00 55.00 H new ATOM 0 HG2 LYS A 17 4.852 3.591 -9.239 1.00 31.52 H new ATOM 0 HG3 LYS A 17 6.373 2.998 -9.878 1.00 31.52 H new ATOM 0 HD2 LYS A 17 6.607 5.376 -9.832 1.00 4.42 H new ATOM 0 HD3 LYS A 17 6.329 4.981 -11.516 1.00 4.42 H new ATOM 0 HE2 LYS A 17 3.743 5.331 -10.323 1.00 4.41 H new ATOM 0 HE3 LYS A 17 4.736 6.661 -9.761 1.00 4.41 H new ATOM 0 HZ1 LYS A 17 3.497 6.616 -12.122 1.00 72.20 H new ATOM 0 HZ2 LYS A 17 4.894 7.530 -11.810 1.00 72.20 H new ATOM 0 HZ3 LYS A 17 5.021 6.022 -12.579 1.00 72.20 H new ATOM 248 N VAL A 18 2.889 2.845 -8.662 1.00 14.13 N ATOM 249 CA VAL A 18 1.921 3.480 -7.783 1.00 60.42 C ATOM 250 C VAL A 18 2.308 4.945 -7.578 1.00 21.22 C ATOM 251 O VAL A 18 3.007 5.278 -6.621 1.00 35.31 O ATOM 252 CB VAL A 18 1.815 2.699 -6.472 1.00 10.44 C ATOM 253 CG1 VAL A 18 0.923 3.433 -5.467 1.00 41.14 C ATOM 254 CG2 VAL A 18 1.307 1.277 -6.719 1.00 51.22 C ATOM 0 H VAL A 18 3.799 2.668 -8.237 1.00 14.13 H new ATOM 0 HA VAL A 18 0.929 3.468 -8.234 1.00 60.42 H new ATOM 0 HB VAL A 18 2.815 2.627 -6.044 1.00 10.44 H new ATOM 0 HG11 VAL A 18 0.864 2.857 -4.544 1.00 41.14 H new ATOM 0 HG12 VAL A 18 1.345 4.415 -5.255 1.00 41.14 H new ATOM 0 HG13 VAL A 18 -0.077 3.550 -5.886 1.00 41.14 H new ATOM 0 HG21 VAL A 18 1.241 0.744 -5.770 1.00 51.22 H new ATOM 0 HG22 VAL A 18 0.321 1.318 -7.181 1.00 51.22 H new ATOM 0 HG23 VAL A 18 1.997 0.754 -7.382 1.00 51.22 H new ATOM 264 N LEU A 19 1.839 5.782 -8.491 1.00 70.10 N ATOM 265 CA LEU A 19 2.128 7.204 -8.421 1.00 53.33 C ATOM 266 C LEU A 19 1.348 7.822 -7.259 1.00 54.25 C ATOM 267 O LEU A 19 1.885 8.636 -6.510 1.00 52.54 O ATOM 268 CB LEU A 19 1.855 7.873 -9.770 1.00 54.11 C ATOM 269 CG LEU A 19 2.244 9.348 -9.879 1.00 13.51 C ATOM 270 CD1 LEU A 19 1.376 10.213 -8.963 1.00 52.21 C ATOM 271 CD2 LEU A 19 3.736 9.543 -9.605 1.00 24.11 C ATOM 0 H LEU A 19 1.261 5.503 -9.283 1.00 70.10 H new ATOM 0 HA LEU A 19 3.186 7.368 -8.218 1.00 53.33 H new ATOM 0 HB2 LEU A 19 2.389 7.319 -10.542 1.00 54.11 H new ATOM 0 HB3 LEU A 19 0.791 7.781 -9.990 1.00 54.11 H new ATOM 0 HG LEU A 19 2.059 9.675 -10.902 1.00 13.51 H new ATOM 0 HD11 LEU A 19 1.673 11.257 -9.060 1.00 52.21 H new ATOM 0 HD12 LEU A 19 0.329 10.106 -9.246 1.00 52.21 H new ATOM 0 HD13 LEU A 19 1.507 9.893 -7.929 1.00 52.21 H new ATOM 0 HD21 LEU A 19 3.986 10.601 -9.689 1.00 24.11 H new ATOM 0 HD22 LEU A 19 3.970 9.193 -8.599 1.00 24.11 H new ATOM 0 HD23 LEU A 19 4.317 8.974 -10.331 1.00 24.11 H new ATOM 283 N GLU A 20 0.092 7.412 -7.147 1.00 44.42 N ATOM 284 CA GLU A 20 -0.767 7.916 -6.089 1.00 2.01 C ATOM 285 C GLU A 20 -1.502 6.760 -5.407 1.00 2.13 C ATOM 286 O GLU A 20 -2.345 6.108 -6.020 1.00 23.41 O ATOM 287 CB GLU A 20 -1.756 8.950 -6.631 1.00 24.21 C ATOM 288 CG GLU A 20 -2.948 9.116 -5.688 1.00 21.35 C ATOM 289 CD GLU A 20 -2.510 9.719 -4.351 1.00 40.32 C ATOM 290 OE1 GLU A 20 -1.453 9.348 -3.820 1.00 53.21 O ATOM 291 OE2 GLU A 20 -3.312 10.606 -3.864 1.00 70.42 O ATOM 0 H GLU A 20 -0.350 6.737 -7.771 1.00 44.42 H new ATOM 0 HA GLU A 20 -0.143 8.413 -5.347 1.00 2.01 H new ATOM 0 HB2 GLU A 20 -1.252 9.908 -6.758 1.00 24.21 H new ATOM 0 HB3 GLU A 20 -2.107 8.641 -7.616 1.00 24.21 H new ATOM 0 HG2 GLU A 20 -3.697 9.757 -6.152 1.00 21.35 H new ATOM 0 HG3 GLU A 20 -3.419 8.148 -5.518 1.00 21.35 H new ATOM 298 N GLU A 21 -1.155 6.542 -4.147 1.00 23.53 N ATOM 299 CA GLU A 21 -1.772 5.477 -3.374 1.00 64.44 C ATOM 300 C GLU A 21 -3.268 5.392 -3.685 1.00 5.10 C ATOM 301 O GLU A 21 -3.848 6.337 -4.216 1.00 53.43 O ATOM 302 CB GLU A 21 -1.533 5.676 -1.877 1.00 4.21 C ATOM 303 CG GLU A 21 -0.038 5.788 -1.570 1.00 55.12 C ATOM 304 CD GLU A 21 0.233 5.571 -0.080 1.00 4.12 C ATOM 305 OE1 GLU A 21 -0.265 4.598 0.506 1.00 52.32 O ATOM 306 OE2 GLU A 21 0.993 6.456 0.471 1.00 42.51 O ATOM 0 H GLU A 21 -0.454 7.085 -3.642 1.00 23.53 H new ATOM 0 HA GLU A 21 -1.308 4.533 -3.659 1.00 64.44 H new ATOM 0 HB2 GLU A 21 -2.045 6.577 -1.540 1.00 4.21 H new ATOM 0 HB3 GLU A 21 -1.960 4.840 -1.323 1.00 4.21 H new ATOM 0 HG2 GLU A 21 0.513 5.051 -2.155 1.00 55.12 H new ATOM 0 HG3 GLU A 21 0.326 6.771 -1.870 1.00 55.12 H new ATOM 313 N GLY A 22 -3.847 4.252 -3.341 1.00 54.33 N ATOM 314 CA GLY A 22 -5.264 4.033 -3.576 1.00 55.20 C ATOM 315 C GLY A 22 -5.951 3.490 -2.321 1.00 62.44 C ATOM 316 O GLY A 22 -5.286 3.145 -1.345 1.00 54.14 O ATOM 0 H GLY A 22 -3.361 3.470 -2.902 1.00 54.33 H new ATOM 0 HA2 GLY A 22 -5.735 4.969 -3.877 1.00 55.20 H new ATOM 0 HA3 GLY A 22 -5.395 3.331 -4.399 1.00 55.20 H new ATOM 320 N GLY A 23 -7.273 3.430 -2.388 1.00 41.01 N ATOM 321 CA GLY A 23 -8.057 2.934 -1.270 1.00 73.11 C ATOM 322 C GLY A 23 -8.544 1.507 -1.530 1.00 41.03 C ATOM 323 O GLY A 23 -9.603 1.111 -1.048 1.00 74.22 O ATOM 0 H GLY A 23 -7.821 3.717 -3.199 1.00 41.01 H new ATOM 0 HA2 GLY A 23 -7.455 2.957 -0.361 1.00 73.11 H new ATOM 0 HA3 GLY A 23 -8.912 3.589 -1.102 1.00 73.11 H new ATOM 327 N GLY A 24 -7.745 0.774 -2.293 1.00 34.10 N ATOM 328 CA GLY A 24 -8.081 -0.600 -2.625 1.00 33.23 C ATOM 329 C GLY A 24 -6.878 -1.329 -3.227 1.00 51.44 C ATOM 330 O GLY A 24 -5.921 -0.694 -3.669 1.00 72.34 O ATOM 0 H GLY A 24 -6.866 1.106 -2.690 1.00 34.10 H new ATOM 0 HA2 GLY A 24 -8.416 -1.123 -1.729 1.00 33.23 H new ATOM 0 HA3 GLY A 24 -8.911 -0.615 -3.332 1.00 33.23 H new ATOM 334 N THR A 25 -6.966 -2.651 -3.227 1.00 55.41 N ATOM 335 CA THR A 25 -5.897 -3.472 -3.769 1.00 53.32 C ATOM 336 C THR A 25 -6.006 -3.552 -5.293 1.00 31.22 C ATOM 337 O THR A 25 -7.105 -3.657 -5.836 1.00 54.23 O ATOM 338 CB THR A 25 -5.957 -4.838 -3.083 1.00 64.11 C ATOM 339 OG1 THR A 25 -4.736 -5.469 -3.460 1.00 22.21 O ATOM 340 CG2 THR A 25 -7.041 -5.743 -3.673 1.00 65.31 C ATOM 0 H THR A 25 -7.761 -3.174 -2.860 1.00 55.41 H new ATOM 0 HA THR A 25 -4.920 -3.033 -3.567 1.00 53.32 H new ATOM 0 HB THR A 25 -6.139 -4.701 -2.017 1.00 64.11 H new ATOM 0 HG1 THR A 25 -4.691 -6.361 -3.057 1.00 22.21 H new ATOM 0 HG21 THR A 25 -7.041 -6.699 -3.150 1.00 65.31 H new ATOM 0 HG22 THR A 25 -8.015 -5.267 -3.558 1.00 65.31 H new ATOM 0 HG23 THR A 25 -6.841 -5.908 -4.732 1.00 65.31 H new ATOM 348 N LEU A 26 -4.852 -3.499 -5.941 1.00 43.42 N ATOM 349 CA LEU A 26 -4.803 -3.564 -7.391 1.00 52.14 C ATOM 350 C LEU A 26 -5.024 -5.009 -7.840 1.00 51.02 C ATOM 351 O LEU A 26 -4.153 -5.858 -7.660 1.00 24.51 O ATOM 352 CB LEU A 26 -3.503 -2.949 -7.913 1.00 31.41 C ATOM 353 CG LEU A 26 -3.101 -1.607 -7.298 1.00 52.22 C ATOM 354 CD1 LEU A 26 -1.742 -1.146 -7.826 1.00 21.24 C ATOM 355 CD2 LEU A 26 -4.189 -0.554 -7.522 1.00 73.13 C ATOM 0 H LEU A 26 -3.943 -3.412 -5.488 1.00 43.42 H new ATOM 0 HA LEU A 26 -5.606 -2.968 -7.826 1.00 52.14 H new ATOM 0 HB2 LEU A 26 -2.694 -3.660 -7.744 1.00 31.41 H new ATOM 0 HB3 LEU A 26 -3.593 -2.819 -8.991 1.00 31.41 H new ATOM 0 HG LEU A 26 -2.999 -1.742 -6.221 1.00 52.22 H new ATOM 0 HD11 LEU A 26 -1.481 -0.190 -7.373 1.00 21.24 H new ATOM 0 HD12 LEU A 26 -0.983 -1.887 -7.573 1.00 21.24 H new ATOM 0 HD13 LEU A 26 -1.792 -1.032 -8.909 1.00 21.24 H new ATOM 0 HD21 LEU A 26 -3.879 0.391 -7.075 1.00 73.13 H new ATOM 0 HD22 LEU A 26 -4.346 -0.415 -8.592 1.00 73.13 H new ATOM 0 HD23 LEU A 26 -5.118 -0.886 -7.059 1.00 73.13 H new ATOM 367 N VAL A 27 -6.193 -5.244 -8.417 1.00 30.32 N ATOM 368 CA VAL A 27 -6.540 -6.573 -8.893 1.00 22.12 C ATOM 369 C VAL A 27 -6.209 -6.678 -10.384 1.00 13.11 C ATOM 370 O VAL A 27 -6.260 -5.683 -11.105 1.00 41.22 O ATOM 371 CB VAL A 27 -8.007 -6.874 -8.583 1.00 72.41 C ATOM 372 CG1 VAL A 27 -8.616 -7.788 -9.649 1.00 32.44 C ATOM 373 CG2 VAL A 27 -8.158 -7.483 -7.188 1.00 13.23 C ATOM 0 H VAL A 27 -6.912 -4.537 -8.566 1.00 30.32 H new ATOM 0 HA VAL A 27 -5.951 -7.330 -8.375 1.00 22.12 H new ATOM 0 HB VAL A 27 -8.553 -5.931 -8.598 1.00 72.41 H new ATOM 0 HG11 VAL A 27 -9.660 -7.987 -9.405 1.00 32.44 H new ATOM 0 HG12 VAL A 27 -8.557 -7.301 -10.622 1.00 32.44 H new ATOM 0 HG13 VAL A 27 -8.065 -8.728 -9.680 1.00 32.44 H new ATOM 0 HG21 VAL A 27 -9.211 -7.688 -6.992 1.00 13.23 H new ATOM 0 HG22 VAL A 27 -7.591 -8.413 -7.134 1.00 13.23 H new ATOM 0 HG23 VAL A 27 -7.780 -6.783 -6.443 1.00 13.23 H new ATOM 383 N CYS A 28 -5.879 -7.891 -10.800 1.00 21.45 N ATOM 384 CA CYS A 28 -5.541 -8.139 -12.191 1.00 12.22 C ATOM 385 C CYS A 28 -5.737 -9.630 -12.475 1.00 44.11 C ATOM 386 O CYS A 28 -5.292 -10.476 -11.702 1.00 35.23 O ATOM 387 CB CYS A 28 -4.120 -7.677 -12.519 1.00 11.05 C ATOM 388 SG CYS A 28 -3.750 -7.541 -14.306 1.00 10.32 S ATOM 0 H CYS A 28 -5.838 -8.713 -10.198 1.00 21.45 H new ATOM 0 HA CYS A 28 -6.199 -7.558 -12.837 1.00 12.22 H new ATOM 0 HB2 CYS A 28 -3.952 -6.706 -12.053 1.00 11.05 H new ATOM 0 HB3 CYS A 28 -3.413 -8.374 -12.068 1.00 11.05 H new ATOM 393 N CYS A 29 -6.402 -9.905 -13.588 1.00 42.01 N ATOM 394 CA CYS A 29 -6.662 -11.279 -13.983 1.00 64.03 C ATOM 395 C CYS A 29 -7.387 -11.981 -12.834 1.00 50.12 C ATOM 396 O CYS A 29 -6.930 -13.011 -12.344 1.00 31.54 O ATOM 397 CB CYS A 29 -5.375 -12.008 -14.376 1.00 54.52 C ATOM 398 SG CYS A 29 -4.397 -11.187 -15.688 1.00 13.21 S ATOM 0 H CYS A 29 -6.768 -9.200 -14.228 1.00 42.01 H new ATOM 0 HA CYS A 29 -7.294 -11.291 -14.871 1.00 64.03 H new ATOM 0 HB2 CYS A 29 -4.750 -12.115 -13.490 1.00 54.52 H new ATOM 0 HB3 CYS A 29 -5.631 -13.014 -14.709 1.00 54.52 H new ATOM 403 N GLY A 30 -8.507 -11.394 -12.437 1.00 52.03 N ATOM 404 CA GLY A 30 -9.300 -11.950 -11.355 1.00 32.43 C ATOM 405 C GLY A 30 -8.418 -12.313 -10.159 1.00 24.31 C ATOM 406 O GLY A 30 -8.798 -13.139 -9.330 1.00 14.53 O ATOM 0 H GLY A 30 -8.884 -10.539 -12.846 1.00 52.03 H new ATOM 0 HA2 GLY A 30 -10.058 -11.229 -11.047 1.00 32.43 H new ATOM 0 HA3 GLY A 30 -9.828 -12.837 -11.705 1.00 32.43 H new ATOM 410 N GLU A 31 -7.256 -11.678 -10.106 1.00 71.14 N ATOM 411 CA GLU A 31 -6.317 -11.923 -9.026 1.00 24.45 C ATOM 412 C GLU A 31 -5.922 -10.606 -8.357 1.00 42.30 C ATOM 413 O GLU A 31 -6.567 -9.580 -8.568 1.00 63.23 O ATOM 414 CB GLU A 31 -5.083 -12.673 -9.532 1.00 14.02 C ATOM 415 CG GLU A 31 -5.063 -14.111 -9.009 1.00 62.14 C ATOM 416 CD GLU A 31 -4.063 -14.263 -7.861 1.00 34.04 C ATOM 417 OE1 GLU A 31 -3.892 -13.331 -7.060 1.00 53.22 O ATOM 418 OE2 GLU A 31 -3.453 -15.398 -7.816 1.00 24.05 O ATOM 0 H GLU A 31 -6.944 -10.994 -10.795 1.00 71.14 H new ATOM 0 HA GLU A 31 -6.805 -12.553 -8.282 1.00 24.45 H new ATOM 0 HB2 GLU A 31 -5.078 -12.679 -10.622 1.00 14.02 H new ATOM 0 HB3 GLU A 31 -4.180 -12.153 -9.212 1.00 14.02 H new ATOM 0 HG2 GLU A 31 -6.059 -14.391 -8.668 1.00 62.14 H new ATOM 0 HG3 GLU A 31 -4.800 -14.792 -9.818 1.00 62.14 H new ATOM 425 N ASP A 32 -4.863 -10.676 -7.563 1.00 74.33 N ATOM 426 CA ASP A 32 -4.375 -9.501 -6.861 1.00 65.12 C ATOM 427 C ASP A 32 -2.905 -9.272 -7.222 1.00 41.20 C ATOM 428 O ASP A 32 -2.032 -10.023 -6.792 1.00 42.42 O ATOM 429 CB ASP A 32 -4.465 -9.686 -5.346 1.00 73.51 C ATOM 430 CG ASP A 32 -4.092 -11.083 -4.842 1.00 30.30 C ATOM 431 OD1 ASP A 32 -2.921 -11.364 -4.545 1.00 51.41 O ATOM 432 OD2 ASP A 32 -5.076 -11.912 -4.757 1.00 20.30 O ATOM 0 H ASP A 32 -4.330 -11.528 -7.390 1.00 74.33 H new ATOM 0 HA ASP A 32 -4.991 -8.652 -7.157 1.00 65.12 H new ATOM 0 HB2 ASP A 32 -3.812 -8.957 -4.867 1.00 73.51 H new ATOM 0 HB3 ASP A 32 -5.483 -9.461 -5.027 1.00 73.51 H new ATOM 437 N MET A 33 -2.679 -8.230 -8.010 1.00 24.33 N ATOM 438 CA MET A 33 -1.330 -7.892 -8.433 1.00 75.31 C ATOM 439 C MET A 33 -0.338 -8.045 -7.279 1.00 3.34 C ATOM 440 O MET A 33 -0.722 -7.975 -6.113 1.00 3.44 O ATOM 441 CB MET A 33 -1.301 -6.450 -8.943 1.00 54.35 C ATOM 442 CG MET A 33 -1.389 -6.407 -10.471 1.00 15.14 C ATOM 443 SD MET A 33 -0.547 -4.960 -11.090 1.00 20.42 S ATOM 444 CE MET A 33 -1.456 -3.683 -10.237 1.00 44.00 C ATOM 0 H MET A 33 -3.406 -7.610 -8.366 1.00 24.33 H new ATOM 0 HA MET A 33 -1.038 -8.575 -9.231 1.00 75.31 H new ATOM 0 HB2 MET A 33 -2.131 -5.891 -8.511 1.00 54.35 H new ATOM 0 HB3 MET A 33 -0.383 -5.962 -8.614 1.00 54.35 H new ATOM 0 HG2 MET A 33 -0.943 -7.307 -10.895 1.00 15.14 H new ATOM 0 HG3 MET A 33 -2.433 -6.392 -10.783 1.00 15.14 H new ATOM 0 HE1 MET A 33 -1.697 -2.880 -10.934 1.00 44.00 H new ATOM 0 HE2 MET A 33 -2.378 -4.101 -9.832 1.00 44.00 H new ATOM 0 HE3 MET A 33 -0.849 -3.286 -9.423 1.00 44.00 H new ATOM 454 N VAL A 34 0.919 -8.251 -7.644 1.00 21.45 N ATOM 455 CA VAL A 34 1.969 -8.415 -6.653 1.00 40.14 C ATOM 456 C VAL A 34 2.818 -7.143 -6.602 1.00 61.41 C ATOM 457 O VAL A 34 2.763 -6.318 -7.513 1.00 32.24 O ATOM 458 CB VAL A 34 2.788 -9.670 -6.962 1.00 4.42 C ATOM 459 CG1 VAL A 34 3.627 -10.087 -5.752 1.00 31.30 C ATOM 460 CG2 VAL A 34 1.885 -10.814 -7.425 1.00 30.52 C ATOM 0 H VAL A 34 1.234 -8.308 -8.612 1.00 21.45 H new ATOM 0 HA VAL A 34 1.541 -8.560 -5.661 1.00 40.14 H new ATOM 0 HB VAL A 34 3.471 -9.433 -7.778 1.00 4.42 H new ATOM 0 HG11 VAL A 34 4.200 -10.981 -5.997 1.00 31.30 H new ATOM 0 HG12 VAL A 34 4.310 -9.280 -5.487 1.00 31.30 H new ATOM 0 HG13 VAL A 34 2.970 -10.297 -4.908 1.00 31.30 H new ATOM 0 HG21 VAL A 34 2.492 -11.694 -7.638 1.00 30.52 H new ATOM 0 HG22 VAL A 34 1.166 -11.051 -6.640 1.00 30.52 H new ATOM 0 HG23 VAL A 34 1.352 -10.514 -8.327 1.00 30.52 H new ATOM 470 N LYS A 35 3.586 -7.025 -5.528 1.00 55.22 N ATOM 471 CA LYS A 35 4.445 -5.868 -5.347 1.00 61.20 C ATOM 472 C LYS A 35 5.908 -6.312 -5.402 1.00 62.23 C ATOM 473 O LYS A 35 6.281 -7.313 -4.791 1.00 73.30 O ATOM 474 CB LYS A 35 4.076 -5.123 -4.063 1.00 3.11 C ATOM 475 CG LYS A 35 4.784 -5.734 -2.851 1.00 24.31 C ATOM 476 CD LYS A 35 6.078 -4.981 -2.534 1.00 33.01 C ATOM 477 CE LYS A 35 5.783 -3.669 -1.805 1.00 13.34 C ATOM 478 NZ LYS A 35 7.000 -3.166 -1.129 1.00 33.03 N ATOM 0 H LYS A 35 3.631 -7.712 -4.775 1.00 55.22 H new ATOM 0 HA LYS A 35 4.298 -5.153 -6.156 1.00 61.20 H new ATOM 0 HB2 LYS A 35 4.350 -4.072 -4.157 1.00 3.11 H new ATOM 0 HB3 LYS A 35 2.997 -5.159 -3.915 1.00 3.11 H new ATOM 0 HG2 LYS A 35 4.121 -5.706 -1.986 1.00 24.31 H new ATOM 0 HG3 LYS A 35 5.008 -6.783 -3.047 1.00 24.31 H new ATOM 0 HD2 LYS A 35 6.725 -5.606 -1.919 1.00 33.01 H new ATOM 0 HD3 LYS A 35 6.619 -4.775 -3.458 1.00 33.01 H new ATOM 0 HE2 LYS A 35 5.421 -2.925 -2.515 1.00 13.34 H new ATOM 0 HE3 LYS A 35 4.991 -3.823 -1.073 1.00 13.34 H new ATOM 0 HZ1 LYS A 35 6.782 -2.275 -0.639 1.00 33.03 H new ATOM 0 HZ2 LYS A 35 7.329 -3.870 -0.437 1.00 33.03 H new ATOM 0 HZ3 LYS A 35 7.745 -3.000 -1.835 1.00 33.03 H new ATOM 491 N GLN A 36 6.699 -5.546 -6.139 1.00 2.41 N ATOM 492 CA GLN A 36 8.113 -5.847 -6.281 1.00 71.31 C ATOM 493 C GLN A 36 8.870 -5.451 -5.012 1.00 22.34 C ATOM 494 O GLN A 36 8.503 -5.861 -3.911 1.00 53.35 O ATOM 495 CB GLN A 36 8.701 -5.150 -7.510 1.00 62.41 C ATOM 496 CG GLN A 36 7.753 -5.256 -8.707 1.00 34.54 C ATOM 497 CD GLN A 36 7.824 -6.647 -9.341 1.00 41.33 C ATOM 498 OE1 GLN A 36 8.764 -6.990 -10.040 1.00 50.22 O ATOM 499 NE2 GLN A 36 6.782 -7.424 -9.061 1.00 63.11 N ATOM 0 H GLN A 36 6.387 -4.717 -6.644 1.00 2.41 H new ATOM 0 HA GLN A 36 8.223 -6.922 -6.426 1.00 71.31 H new ATOM 0 HB2 GLN A 36 8.889 -4.101 -7.282 1.00 62.41 H new ATOM 0 HB3 GLN A 36 9.662 -5.599 -7.762 1.00 62.41 H new ATOM 0 HG2 GLN A 36 6.732 -5.050 -8.386 1.00 34.54 H new ATOM 0 HG3 GLN A 36 8.012 -4.501 -9.449 1.00 34.54 H new ATOM 0 HE21 GLN A 36 6.029 -7.074 -8.469 1.00 63.11 H new ATOM 0 HE22 GLN A 36 6.736 -8.370 -9.438 1.00 63.11 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -2.947 -1.051 -22.575 1.00 22.44 N ATOM 510 CA ALA B 1 -2.031 -0.277 -21.754 1.00 34.24 C ATOM 511 C ALA B 1 -0.596 -0.541 -22.211 1.00 24.44 C ATOM 512 O ALA B 1 0.047 -1.479 -21.740 1.00 64.54 O ATOM 513 CB ALA B 1 -2.247 -0.627 -20.279 1.00 10.31 C ATOM 0 H1 ALA B 1 -3.473 -0.412 -23.205 1.00 22.44 H new ATOM 0 H2 ALA B 1 -2.409 -1.734 -23.146 1.00 22.44 H new ATOM 0 H3 ALA B 1 -3.615 -1.561 -21.963 1.00 22.44 H new ATOM 0 HA ALA B 1 -2.222 0.790 -21.868 1.00 34.24 H new ATOM 0 HB1 ALA B 1 -1.560 -0.047 -19.663 1.00 10.31 H new ATOM 0 HB2 ALA B 1 -3.274 -0.394 -19.996 1.00 10.31 H new ATOM 0 HB3 ALA B 1 -2.061 -1.690 -20.126 1.00 10.31 H new ATOM 519 N ASN B 2 -0.134 0.301 -23.122 1.00 42.54 N ATOM 520 CA ASN B 2 1.214 0.170 -23.648 1.00 42.14 C ATOM 521 C ASN B 2 2.200 0.831 -22.683 1.00 23.44 C ATOM 522 O ASN B 2 1.879 1.838 -22.054 1.00 71.04 O ATOM 523 CB ASN B 2 1.346 0.865 -25.005 1.00 73.24 C ATOM 524 CG ASN B 2 0.837 2.306 -24.937 1.00 5.13 C ATOM 525 OD1 ASN B 2 0.892 2.962 -23.909 1.00 72.30 O ATOM 526 ND2 ASN B 2 0.342 2.761 -26.084 1.00 23.12 N ATOM 0 H ASN B 2 -0.669 1.078 -23.510 1.00 42.54 H new ATOM 0 HA ASN B 2 1.428 -0.892 -23.763 1.00 42.14 H new ATOM 0 HB2 ASN B 2 2.389 0.859 -25.320 1.00 73.24 H new ATOM 0 HB3 ASN B 2 0.783 0.312 -25.757 1.00 73.24 H new ATOM 0 HD21 ASN B 2 -0.022 3.712 -26.141 1.00 23.12 H new ATOM 0 HD22 ASN B 2 0.326 2.159 -26.907 1.00 23.12 H new ATOM 533 N GLU B 3 3.381 0.237 -22.595 1.00 21.24 N ATOM 534 CA GLU B 3 4.416 0.754 -21.716 1.00 24.23 C ATOM 535 C GLU B 3 4.439 2.283 -21.766 1.00 41.33 C ATOM 536 O GLU B 3 4.333 2.874 -22.840 1.00 22.11 O ATOM 537 CB GLU B 3 5.784 0.173 -22.078 1.00 65.52 C ATOM 538 CG GLU B 3 6.837 0.558 -21.037 1.00 34.21 C ATOM 539 CD GLU B 3 8.210 -0.003 -21.412 1.00 31.44 C ATOM 540 OE1 GLU B 3 8.956 0.637 -22.167 1.00 73.32 O ATOM 541 OE2 GLU B 3 8.493 -1.147 -20.887 1.00 72.14 O ATOM 0 H GLU B 3 3.644 -0.598 -23.118 1.00 21.24 H new ATOM 0 HA GLU B 3 4.186 0.446 -20.696 1.00 24.23 H new ATOM 0 HB2 GLU B 3 5.715 -0.913 -22.146 1.00 65.52 H new ATOM 0 HB3 GLU B 3 6.089 0.536 -23.060 1.00 65.52 H new ATOM 0 HG2 GLU B 3 6.894 1.644 -20.956 1.00 34.21 H new ATOM 0 HG3 GLU B 3 6.541 0.180 -20.058 1.00 34.21 H new ATOM 548 N GLY B 4 4.578 2.881 -20.592 1.00 33.51 N ATOM 549 CA GLY B 4 4.616 4.329 -20.488 1.00 73.12 C ATOM 550 C GLY B 4 3.206 4.906 -20.351 1.00 22.15 C ATOM 551 O GLY B 4 3.026 6.122 -20.362 1.00 15.40 O ATOM 0 H GLY B 4 4.666 2.388 -19.704 1.00 33.51 H new ATOM 0 HA2 GLY B 4 5.217 4.620 -19.626 1.00 73.12 H new ATOM 0 HA3 GLY B 4 5.100 4.748 -21.370 1.00 73.12 H new ATOM 555 N ASP B 5 2.243 4.005 -20.223 1.00 11.25 N ATOM 556 CA ASP B 5 0.853 4.411 -20.082 1.00 65.40 C ATOM 557 C ASP B 5 0.562 4.715 -18.611 1.00 71.42 C ATOM 558 O ASP B 5 1.242 4.205 -17.721 1.00 62.25 O ATOM 559 CB ASP B 5 -0.093 3.295 -20.531 1.00 71.03 C ATOM 560 CG ASP B 5 -0.711 3.492 -21.917 1.00 25.51 C ATOM 561 OD1 ASP B 5 -0.791 4.717 -22.311 1.00 35.15 O ATOM 562 OD2 ASP B 5 -1.096 2.521 -22.587 1.00 44.44 O ATOM 0 H ASP B 5 2.396 2.997 -20.214 1.00 11.25 H new ATOM 0 HA ASP B 5 0.693 5.292 -20.704 1.00 65.40 H new ATOM 0 HB2 ASP B 5 0.453 2.351 -20.523 1.00 71.03 H new ATOM 0 HB3 ASP B 5 -0.897 3.204 -19.800 1.00 71.03 H new ATOM 567 N VAL B 6 -0.450 5.544 -18.401 1.00 24.54 N ATOM 568 CA VAL B 6 -0.840 5.922 -17.053 1.00 70.23 C ATOM 569 C VAL B 6 -2.325 5.613 -16.852 1.00 24.04 C ATOM 570 O VAL B 6 -3.140 5.864 -17.738 1.00 14.02 O ATOM 571 CB VAL B 6 -0.494 7.391 -16.801 1.00 70.13 C ATOM 572 CG1 VAL B 6 -1.515 8.041 -15.865 1.00 75.22 C ATOM 573 CG2 VAL B 6 0.926 7.533 -16.249 1.00 73.12 C ATOM 0 H VAL B 6 -1.012 5.964 -19.141 1.00 24.54 H new ATOM 0 HA VAL B 6 -0.285 5.341 -16.317 1.00 70.23 H new ATOM 0 HB VAL B 6 -0.535 7.914 -17.756 1.00 70.13 H new ATOM 0 HG11 VAL B 6 -1.246 9.085 -15.702 1.00 75.22 H new ATOM 0 HG12 VAL B 6 -2.507 7.987 -16.315 1.00 75.22 H new ATOM 0 HG13 VAL B 6 -1.521 7.514 -14.911 1.00 75.22 H new ATOM 0 HG21 VAL B 6 1.147 8.587 -16.079 1.00 73.12 H new ATOM 0 HG22 VAL B 6 1.007 6.989 -15.308 1.00 73.12 H new ATOM 0 HG23 VAL B 6 1.638 7.125 -16.966 1.00 73.12 H new ATOM 583 N TYR B 7 -2.630 5.074 -15.681 1.00 35.51 N ATOM 584 CA TYR B 7 -4.003 4.729 -15.351 1.00 74.24 C ATOM 585 C TYR B 7 -4.406 5.315 -13.997 1.00 74.21 C ATOM 586 O TYR B 7 -3.710 5.121 -13.001 1.00 71.22 O ATOM 587 CB TYR B 7 -4.046 3.202 -15.266 1.00 63.42 C ATOM 588 CG TYR B 7 -4.409 2.515 -16.584 1.00 42.45 C ATOM 589 CD1 TYR B 7 -3.597 2.669 -17.689 1.00 44.11 C ATOM 590 CD2 TYR B 7 -5.549 1.741 -16.668 1.00 0.23 C ATOM 591 CE1 TYR B 7 -3.939 2.023 -18.929 1.00 61.55 C ATOM 592 CE2 TYR B 7 -5.890 1.095 -17.909 1.00 31.23 C ATOM 593 CZ TYR B 7 -5.069 1.267 -18.979 1.00 4.25 C ATOM 594 OH TYR B 7 -5.391 0.656 -20.149 1.00 73.24 O ATOM 0 H TYR B 7 -1.950 4.868 -14.949 1.00 35.51 H new ATOM 0 HA TYR B 7 -4.688 5.125 -16.100 1.00 74.24 H new ATOM 0 HB2 TYR B 7 -3.073 2.839 -14.935 1.00 63.42 H new ATOM 0 HB3 TYR B 7 -4.770 2.911 -14.505 1.00 63.42 H new ATOM 0 HD1 TYR B 7 -2.705 3.274 -17.623 1.00 44.11 H new ATOM 0 HD2 TYR B 7 -6.185 1.620 -15.803 1.00 0.23 H new ATOM 0 HE1 TYR B 7 -3.312 2.136 -19.801 1.00 61.55 H new ATOM 0 HE2 TYR B 7 -6.779 0.487 -17.988 1.00 31.23 H new ATOM 0 HH TYR B 7 -6.222 0.150 -20.036 1.00 73.24 H new ATOM 604 N LYS B 8 -5.528 6.019 -14.003 1.00 4.41 N ATOM 605 CA LYS B 8 -6.032 6.636 -12.787 1.00 23.33 C ATOM 606 C LYS B 8 -7.447 6.125 -12.511 1.00 31.34 C ATOM 607 O LYS B 8 -8.130 5.656 -13.420 1.00 62.40 O ATOM 608 CB LYS B 8 -5.934 8.159 -12.878 1.00 53.32 C ATOM 609 CG LYS B 8 -6.332 8.814 -11.553 1.00 23.03 C ATOM 610 CD LYS B 8 -6.381 10.338 -11.687 1.00 73.24 C ATOM 611 CE LYS B 8 -7.814 10.854 -11.545 1.00 33.42 C ATOM 612 NZ LYS B 8 -8.262 11.498 -12.800 1.00 24.35 N ATOM 0 H LYS B 8 -6.103 6.176 -14.831 1.00 4.41 H new ATOM 0 HA LYS B 8 -5.418 6.352 -11.932 1.00 23.33 H new ATOM 0 HB2 LYS B 8 -4.915 8.447 -13.139 1.00 53.32 H new ATOM 0 HB3 LYS B 8 -6.582 8.522 -13.676 1.00 53.32 H new ATOM 0 HG2 LYS B 8 -7.307 8.442 -11.238 1.00 23.03 H new ATOM 0 HG3 LYS B 8 -5.618 8.536 -10.777 1.00 23.03 H new ATOM 0 HD2 LYS B 8 -5.749 10.794 -10.925 1.00 73.24 H new ATOM 0 HD3 LYS B 8 -5.978 10.635 -12.655 1.00 73.24 H new ATOM 0 HE2 LYS B 8 -8.481 10.028 -11.295 1.00 33.42 H new ATOM 0 HE3 LYS B 8 -7.869 11.568 -10.723 1.00 33.42 H new ATOM 0 HZ1 LYS B 8 -9.237 11.842 -12.685 1.00 24.35 H new ATOM 0 HZ2 LYS B 8 -7.636 12.298 -13.022 1.00 24.35 H new ATOM 0 HZ3 LYS B 8 -8.228 10.807 -13.576 1.00 24.35 H new ATOM 625 N CYS B 9 -7.846 6.233 -11.251 1.00 71.23 N ATOM 626 CA CYS B 9 -9.168 5.789 -10.844 1.00 30.32 C ATOM 627 C CYS B 9 -10.121 6.983 -10.922 1.00 31.43 C ATOM 628 O CYS B 9 -9.686 8.117 -11.111 1.00 75.15 O ATOM 629 CB CYS B 9 -9.149 5.163 -9.447 1.00 43.34 C ATOM 630 SG CYS B 9 -10.609 4.131 -9.049 1.00 30.31 S ATOM 0 H CYS B 9 -7.276 6.622 -10.499 1.00 71.23 H new ATOM 0 HA CYS B 9 -9.515 5.005 -11.517 1.00 30.32 H new ATOM 0 HB2 CYS B 9 -8.252 4.551 -9.350 1.00 43.34 H new ATOM 0 HB3 CYS B 9 -9.073 5.960 -8.708 1.00 43.34 H new ATOM 635 N GLU B 10 -11.404 6.685 -10.772 1.00 65.44 N ATOM 636 CA GLU B 10 -12.422 7.720 -10.823 1.00 75.14 C ATOM 637 C GLU B 10 -13.156 7.809 -9.484 1.00 0.13 C ATOM 638 O GLU B 10 -14.179 8.483 -9.377 1.00 33.53 O ATOM 639 CB GLU B 10 -13.404 7.467 -11.970 1.00 14.01 C ATOM 640 CG GLU B 10 -12.718 7.638 -13.327 1.00 13.42 C ATOM 641 CD GLU B 10 -12.244 9.079 -13.523 1.00 45.43 C ATOM 642 OE1 GLU B 10 -11.254 9.496 -12.903 1.00 62.11 O ATOM 643 OE2 GLU B 10 -12.942 9.775 -14.355 1.00 63.33 O ATOM 0 H GLU B 10 -11.761 5.742 -10.615 1.00 65.44 H new ATOM 0 HA GLU B 10 -11.932 8.675 -11.011 1.00 75.14 H new ATOM 0 HB2 GLU B 10 -13.812 6.459 -11.889 1.00 14.01 H new ATOM 0 HB3 GLU B 10 -14.244 8.158 -11.893 1.00 14.01 H new ATOM 0 HG2 GLU B 10 -11.868 6.959 -13.397 1.00 13.42 H new ATOM 0 HG3 GLU B 10 -13.409 7.367 -14.125 1.00 13.42 H new ATOM 650 N LEU B 11 -12.603 7.121 -8.496 1.00 54.21 N ATOM 651 CA LEU B 11 -13.191 7.115 -7.167 1.00 53.12 C ATOM 652 C LEU B 11 -12.090 7.316 -6.125 1.00 51.01 C ATOM 653 O LEU B 11 -12.036 8.352 -5.465 1.00 70.02 O ATOM 654 CB LEU B 11 -14.016 5.845 -6.953 1.00 70.23 C ATOM 655 CG LEU B 11 -14.095 5.331 -5.514 1.00 53.21 C ATOM 656 CD1 LEU B 11 -15.121 6.126 -4.704 1.00 3.12 C ATOM 657 CD2 LEU B 11 -14.382 3.828 -5.483 1.00 44.31 C ATOM 0 H LEU B 11 -11.754 6.564 -8.589 1.00 54.21 H new ATOM 0 HA LEU B 11 -13.890 7.944 -7.056 1.00 53.12 H new ATOM 0 HB2 LEU B 11 -15.030 6.030 -7.308 1.00 70.23 H new ATOM 0 HB3 LEU B 11 -13.599 5.055 -7.578 1.00 70.23 H new ATOM 0 HG LEU B 11 -13.124 5.483 -5.043 1.00 53.21 H new ATOM 0 HD11 LEU B 11 -15.158 5.741 -3.685 1.00 3.12 H new ATOM 0 HD12 LEU B 11 -14.833 7.177 -4.684 1.00 3.12 H new ATOM 0 HD13 LEU B 11 -16.104 6.027 -5.165 1.00 3.12 H new ATOM 0 HD21 LEU B 11 -14.433 3.489 -4.448 1.00 44.31 H new ATOM 0 HD22 LEU B 11 -15.333 3.629 -5.978 1.00 44.31 H new ATOM 0 HD23 LEU B 11 -13.585 3.295 -6.001 1.00 44.31 H new ATOM 669 N CYS B 12 -11.238 6.308 -6.010 1.00 24.31 N ATOM 670 CA CYS B 12 -10.140 6.361 -5.059 1.00 64.01 C ATOM 671 C CYS B 12 -9.122 7.389 -5.557 1.00 54.04 C ATOM 672 O CYS B 12 -8.220 7.783 -4.819 1.00 51.32 O ATOM 673 CB CYS B 12 -9.505 4.985 -4.850 1.00 34.40 C ATOM 674 SG CYS B 12 -8.468 4.399 -6.240 1.00 12.44 S ATOM 0 H CYS B 12 -11.286 5.450 -6.559 1.00 24.31 H new ATOM 0 HA CYS B 12 -10.516 6.667 -4.083 1.00 64.01 H new ATOM 0 HB2 CYS B 12 -8.895 5.015 -3.947 1.00 34.40 H new ATOM 0 HB3 CYS B 12 -10.298 4.258 -4.675 1.00 34.40 H new ATOM 679 N GLY B 13 -9.300 7.794 -6.806 1.00 52.04 N ATOM 680 CA GLY B 13 -8.409 8.768 -7.412 1.00 1.03 C ATOM 681 C GLY B 13 -6.950 8.320 -7.300 1.00 52.43 C ATOM 682 O GLY B 13 -6.081 9.110 -6.935 1.00 1.14 O ATOM 0 H GLY B 13 -10.049 7.465 -7.415 1.00 52.04 H new ATOM 0 HA2 GLY B 13 -8.672 8.904 -8.461 1.00 1.03 H new ATOM 0 HA3 GLY B 13 -8.535 9.735 -6.924 1.00 1.03 H new ATOM 686 N GLN B 14 -6.727 7.054 -7.622 1.00 45.20 N ATOM 687 CA GLN B 14 -5.388 6.492 -7.562 1.00 73.03 C ATOM 688 C GLN B 14 -4.691 6.636 -8.917 1.00 64.22 C ATOM 689 O GLN B 14 -5.332 6.538 -9.962 1.00 71.51 O ATOM 690 CB GLN B 14 -5.428 5.028 -7.119 1.00 51.42 C ATOM 691 CG GLN B 14 -4.110 4.321 -7.443 1.00 1.33 C ATOM 692 CD GLN B 14 -3.684 3.403 -6.296 1.00 1.54 C ATOM 693 OE1 GLN B 14 -2.749 3.678 -5.560 1.00 74.13 O ATOM 694 NE2 GLN B 14 -4.419 2.300 -6.183 1.00 54.31 N ATOM 0 H GLN B 14 -7.450 6.402 -7.925 1.00 45.20 H new ATOM 0 HA GLN B 14 -4.815 7.047 -6.819 1.00 73.03 H new ATOM 0 HB2 GLN B 14 -5.620 4.974 -6.047 1.00 51.42 H new ATOM 0 HB3 GLN B 14 -6.251 4.516 -7.617 1.00 51.42 H new ATOM 0 HG2 GLN B 14 -4.221 3.739 -8.358 1.00 1.33 H new ATOM 0 HG3 GLN B 14 -3.332 5.062 -7.629 1.00 1.33 H new ATOM 0 HE21 GLN B 14 -5.187 2.131 -6.832 1.00 54.31 H new ATOM 0 HE22 GLN B 14 -4.214 1.624 -5.447 1.00 54.31 H new ATOM 703 N VAL B 15 -3.387 6.866 -8.854 1.00 52.21 N ATOM 704 CA VAL B 15 -2.597 7.025 -10.063 1.00 71.21 C ATOM 705 C VAL B 15 -1.545 5.915 -10.128 1.00 2.02 C ATOM 706 O VAL B 15 -0.844 5.661 -9.149 1.00 50.42 O ATOM 707 CB VAL B 15 -1.989 8.428 -10.110 1.00 52.21 C ATOM 708 CG1 VAL B 15 -1.282 8.673 -11.444 1.00 41.44 C ATOM 709 CG2 VAL B 15 -3.054 9.495 -9.850 1.00 13.14 C ATOM 0 H VAL B 15 -2.859 6.946 -7.985 1.00 52.21 H new ATOM 0 HA VAL B 15 -3.227 6.929 -10.947 1.00 71.21 H new ATOM 0 HB VAL B 15 -1.244 8.498 -9.318 1.00 52.21 H new ATOM 0 HG11 VAL B 15 -0.858 9.677 -11.452 1.00 41.44 H new ATOM 0 HG12 VAL B 15 -0.484 7.942 -11.573 1.00 41.44 H new ATOM 0 HG13 VAL B 15 -1.999 8.575 -12.259 1.00 41.44 H new ATOM 0 HG21 VAL B 15 -2.596 10.483 -9.889 1.00 13.14 H new ATOM 0 HG22 VAL B 15 -3.832 9.425 -10.610 1.00 13.14 H new ATOM 0 HG23 VAL B 15 -3.494 9.338 -8.865 1.00 13.14 H new ATOM 719 N VAL B 16 -1.467 5.285 -11.290 1.00 75.13 N ATOM 720 CA VAL B 16 -0.512 4.208 -11.496 1.00 15.23 C ATOM 721 C VAL B 16 0.056 4.301 -12.913 1.00 72.25 C ATOM 722 O VAL B 16 -0.522 4.960 -13.776 1.00 14.13 O ATOM 723 CB VAL B 16 -1.173 2.860 -11.203 1.00 10.20 C ATOM 724 CG1 VAL B 16 -1.566 2.750 -9.728 1.00 41.22 C ATOM 725 CG2 VAL B 16 -2.384 2.634 -12.111 1.00 71.21 C ATOM 0 H VAL B 16 -2.049 5.499 -12.100 1.00 75.13 H new ATOM 0 HA VAL B 16 0.325 4.301 -10.804 1.00 15.23 H new ATOM 0 HB VAL B 16 -0.444 2.077 -11.415 1.00 10.20 H new ATOM 0 HG11 VAL B 16 -2.034 1.782 -9.547 1.00 41.22 H new ATOM 0 HG12 VAL B 16 -0.676 2.845 -9.106 1.00 41.22 H new ATOM 0 HG13 VAL B 16 -2.269 3.545 -9.478 1.00 41.22 H new ATOM 0 HG21 VAL B 16 -2.835 1.669 -11.882 1.00 71.21 H new ATOM 0 HG22 VAL B 16 -3.115 3.425 -11.946 1.00 71.21 H new ATOM 0 HG23 VAL B 16 -2.065 2.647 -13.153 1.00 71.21 H new ATOM 735 N LYS B 17 1.182 3.630 -13.110 1.00 30.24 N ATOM 736 CA LYS B 17 1.834 3.628 -14.408 1.00 24.13 C ATOM 737 C LYS B 17 1.823 2.208 -14.978 1.00 1.44 C ATOM 738 O LYS B 17 1.540 1.250 -14.260 1.00 53.13 O ATOM 739 CB LYS B 17 3.234 4.237 -14.304 1.00 1.02 C ATOM 740 CG LYS B 17 3.628 4.931 -15.609 1.00 51.24 C ATOM 741 CD LYS B 17 5.036 4.518 -16.047 1.00 73.32 C ATOM 742 CE LYS B 17 4.979 3.534 -17.216 1.00 71.14 C ATOM 743 NZ LYS B 17 6.279 3.492 -17.923 1.00 30.12 N ATOM 0 H LYS B 17 1.659 3.084 -12.392 1.00 30.24 H new ATOM 0 HA LYS B 17 1.287 4.258 -15.110 1.00 24.13 H new ATOM 0 HB2 LYS B 17 3.263 4.954 -13.484 1.00 1.02 H new ATOM 0 HB3 LYS B 17 3.958 3.456 -14.070 1.00 1.02 H new ATOM 0 HG2 LYS B 17 2.911 4.678 -16.390 1.00 51.24 H new ATOM 0 HG3 LYS B 17 3.587 6.012 -15.477 1.00 51.24 H new ATOM 0 HD2 LYS B 17 5.604 5.402 -16.338 1.00 73.32 H new ATOM 0 HD3 LYS B 17 5.563 4.062 -15.209 1.00 73.32 H new ATOM 0 HE2 LYS B 17 4.726 2.539 -16.850 1.00 71.14 H new ATOM 0 HE3 LYS B 17 4.191 3.829 -17.909 1.00 71.14 H new ATOM 0 HZ1 LYS B 17 6.193 2.898 -18.772 1.00 30.12 H new ATOM 0 HZ2 LYS B 17 6.554 4.456 -18.201 1.00 30.12 H new ATOM 0 HZ3 LYS B 17 7.004 3.093 -17.293 1.00 30.12 H new ATOM 756 N VAL B 18 2.134 2.117 -16.262 1.00 13.50 N ATOM 757 CA VAL B 18 2.162 0.831 -16.937 1.00 53.21 C ATOM 758 C VAL B 18 3.597 0.517 -17.364 1.00 71.23 C ATOM 759 O VAL B 18 4.000 0.840 -18.481 1.00 3.01 O ATOM 760 CB VAL B 18 1.176 0.832 -18.107 1.00 31.55 C ATOM 761 CG1 VAL B 18 1.419 -0.364 -19.029 1.00 61.31 C ATOM 762 CG2 VAL B 18 -0.269 0.853 -17.604 1.00 75.44 C ATOM 0 H VAL B 18 2.369 2.914 -16.854 1.00 13.50 H new ATOM 0 HA VAL B 18 1.842 0.037 -16.262 1.00 53.21 H new ATOM 0 HB VAL B 18 1.343 1.740 -18.686 1.00 31.55 H new ATOM 0 HG11 VAL B 18 0.705 -0.340 -19.852 1.00 61.31 H new ATOM 0 HG12 VAL B 18 2.433 -0.317 -19.426 1.00 61.31 H new ATOM 0 HG13 VAL B 18 1.292 -1.289 -18.466 1.00 61.31 H new ATOM 0 HG21 VAL B 18 -0.950 0.853 -18.455 1.00 75.44 H new ATOM 0 HG22 VAL B 18 -0.454 -0.029 -16.991 1.00 75.44 H new ATOM 0 HG23 VAL B 18 -0.433 1.750 -17.007 1.00 75.44 H new ATOM 772 N LEU B 19 4.327 -0.111 -16.455 1.00 5.24 N ATOM 773 CA LEU B 19 5.709 -0.473 -16.724 1.00 54.24 C ATOM 774 C LEU B 19 5.746 -1.563 -17.797 1.00 74.33 C ATOM 775 O LEU B 19 6.594 -1.535 -18.687 1.00 71.22 O ATOM 776 CB LEU B 19 6.424 -0.861 -15.429 1.00 32.32 C ATOM 777 CG LEU B 19 7.509 0.104 -14.946 1.00 72.55 C ATOM 778 CD1 LEU B 19 7.276 0.509 -13.491 1.00 15.15 C ATOM 779 CD2 LEU B 19 8.903 -0.490 -15.160 1.00 4.22 C ATOM 0 H LEU B 19 3.988 -0.379 -15.531 1.00 5.24 H new ATOM 0 HA LEU B 19 6.257 0.383 -17.118 1.00 54.24 H new ATOM 0 HB2 LEU B 19 5.677 -0.961 -14.641 1.00 32.32 H new ATOM 0 HB3 LEU B 19 6.875 -1.844 -15.567 1.00 32.32 H new ATOM 0 HG LEU B 19 7.449 1.013 -15.545 1.00 72.55 H new ATOM 0 HD11 LEU B 19 8.062 1.195 -13.174 1.00 15.15 H new ATOM 0 HD12 LEU B 19 6.307 1.000 -13.401 1.00 15.15 H new ATOM 0 HD13 LEU B 19 7.293 -0.379 -12.859 1.00 15.15 H new ATOM 0 HD21 LEU B 19 9.657 0.215 -14.809 1.00 4.22 H new ATOM 0 HD22 LEU B 19 8.991 -1.423 -14.603 1.00 4.22 H new ATOM 0 HD23 LEU B 19 9.056 -0.686 -16.221 1.00 4.22 H new ATOM 791 N GLU B 20 4.815 -2.499 -17.678 1.00 12.24 N ATOM 792 CA GLU B 20 4.730 -3.596 -18.626 1.00 10.21 C ATOM 793 C GLU B 20 3.268 -3.892 -18.966 1.00 54.54 C ATOM 794 O GLU B 20 2.504 -4.333 -18.109 1.00 53.23 O ATOM 795 CB GLU B 20 5.429 -4.845 -18.083 1.00 40.42 C ATOM 796 CG GLU B 20 6.906 -4.863 -18.484 1.00 74.25 C ATOM 797 CD GLU B 20 7.810 -4.773 -17.254 1.00 33.30 C ATOM 798 OE1 GLU B 20 7.971 -3.685 -16.682 1.00 10.14 O ATOM 799 OE2 GLU B 20 8.354 -5.886 -16.894 1.00 31.40 O ATOM 0 H GLU B 20 4.113 -2.520 -16.938 1.00 12.24 H new ATOM 0 HA GLU B 20 5.243 -3.300 -19.541 1.00 10.21 H new ATOM 0 HB2 GLU B 20 5.343 -4.871 -16.997 1.00 40.42 H new ATOM 0 HB3 GLU B 20 4.934 -5.738 -18.464 1.00 40.42 H new ATOM 0 HG2 GLU B 20 7.126 -5.778 -19.035 1.00 74.25 H new ATOM 0 HG3 GLU B 20 7.114 -4.029 -19.155 1.00 74.25 H new ATOM 806 N GLU B 21 2.922 -3.636 -20.220 1.00 25.40 N ATOM 807 CA GLU B 21 1.566 -3.869 -20.685 1.00 1.00 C ATOM 808 C GLU B 21 1.106 -5.276 -20.298 1.00 44.12 C ATOM 809 O GLU B 21 1.929 -6.152 -20.038 1.00 25.41 O ATOM 810 CB GLU B 21 1.459 -3.653 -22.196 1.00 72.35 C ATOM 811 CG GLU B 21 0.033 -3.910 -22.687 1.00 1.11 C ATOM 812 CD GLU B 21 -0.204 -3.256 -24.050 1.00 63.12 C ATOM 813 OE1 GLU B 21 0.762 -2.899 -24.742 1.00 30.12 O ATOM 814 OE2 GLU B 21 -1.442 -3.126 -24.385 1.00 53.22 O ATOM 0 H GLU B 21 3.558 -3.269 -20.928 1.00 25.40 H new ATOM 0 HA GLU B 21 0.908 -3.147 -20.201 1.00 1.00 H new ATOM 0 HB2 GLU B 21 1.754 -2.633 -22.443 1.00 72.35 H new ATOM 0 HB3 GLU B 21 2.151 -4.319 -22.712 1.00 72.35 H new ATOM 0 HG2 GLU B 21 -0.143 -4.983 -22.759 1.00 1.11 H new ATOM 0 HG3 GLU B 21 -0.681 -3.518 -21.963 1.00 1.11 H new ATOM 821 N GLY B 22 -0.207 -5.450 -20.273 1.00 53.44 N ATOM 822 CA GLY B 22 -0.785 -6.735 -19.923 1.00 34.05 C ATOM 823 C GLY B 22 -2.003 -7.046 -20.797 1.00 65.42 C ATOM 824 O GLY B 22 -2.214 -6.402 -21.824 1.00 21.32 O ATOM 0 H GLY B 22 -0.887 -4.721 -20.490 1.00 53.44 H new ATOM 0 HA2 GLY B 22 -0.037 -7.519 -20.043 1.00 34.05 H new ATOM 0 HA3 GLY B 22 -1.078 -6.732 -18.873 1.00 34.05 H new ATOM 828 N GLY B 23 -2.769 -8.033 -20.359 1.00 71.42 N ATOM 829 CA GLY B 23 -3.959 -8.438 -21.090 1.00 13.41 C ATOM 830 C GLY B 23 -5.120 -8.719 -20.133 1.00 61.13 C ATOM 831 O GLY B 23 -5.753 -9.772 -20.213 1.00 2.41 O ATOM 0 H GLY B 23 -2.590 -8.565 -19.507 1.00 71.42 H new ATOM 0 HA2 GLY B 23 -4.243 -7.654 -21.792 1.00 13.41 H new ATOM 0 HA3 GLY B 23 -3.743 -9.330 -21.678 1.00 13.41 H new ATOM 835 N GLY B 24 -5.364 -7.761 -19.252 1.00 32.11 N ATOM 836 CA GLY B 24 -6.438 -7.893 -18.281 1.00 50.21 C ATOM 837 C GLY B 24 -7.005 -6.524 -17.901 1.00 42.45 C ATOM 838 O GLY B 24 -6.943 -5.583 -18.689 1.00 53.45 O ATOM 0 H GLY B 24 -4.837 -6.890 -19.190 1.00 32.11 H new ATOM 0 HA2 GLY B 24 -7.231 -8.517 -18.693 1.00 50.21 H new ATOM 0 HA3 GLY B 24 -6.067 -8.397 -17.389 1.00 50.21 H new ATOM 842 N THR B 25 -7.544 -6.457 -16.693 1.00 72.32 N ATOM 843 CA THR B 25 -8.123 -5.219 -16.199 1.00 63.00 C ATOM 844 C THR B 25 -7.491 -4.834 -14.859 1.00 55.55 C ATOM 845 O THR B 25 -7.256 -5.691 -14.010 1.00 12.10 O ATOM 846 CB THR B 25 -9.640 -5.402 -16.126 1.00 4.22 C ATOM 847 OG1 THR B 25 -10.072 -5.261 -17.476 1.00 43.43 O ATOM 848 CG2 THR B 25 -10.333 -4.252 -15.391 1.00 1.43 C ATOM 0 H THR B 25 -7.592 -7.240 -16.041 1.00 72.32 H new ATOM 0 HA THR B 25 -7.915 -4.388 -16.872 1.00 63.00 H new ATOM 0 HB THR B 25 -9.869 -6.343 -15.626 1.00 4.22 H new ATOM 0 HG1 THR B 25 -11.045 -5.367 -17.521 1.00 43.43 H new ATOM 0 HG21 THR B 25 -11.408 -4.431 -15.367 1.00 1.43 H new ATOM 0 HG22 THR B 25 -9.953 -4.190 -14.371 1.00 1.43 H new ATOM 0 HG23 THR B 25 -10.132 -3.315 -15.910 1.00 1.43 H new ATOM 856 N LEU B 26 -7.234 -3.542 -14.713 1.00 33.14 N ATOM 857 CA LEU B 26 -6.635 -3.032 -13.491 1.00 42.31 C ATOM 858 C LEU B 26 -7.741 -2.567 -12.542 1.00 22.02 C ATOM 859 O LEU B 26 -8.168 -1.414 -12.598 1.00 24.21 O ATOM 860 CB LEU B 26 -5.603 -1.948 -13.813 1.00 31.44 C ATOM 861 CG LEU B 26 -4.238 -2.443 -14.294 1.00 32.43 C ATOM 862 CD1 LEU B 26 -3.378 -1.280 -14.792 1.00 62.41 C ATOM 863 CD2 LEU B 26 -3.533 -3.253 -13.204 1.00 63.20 C ATOM 0 H LEU B 26 -7.430 -2.834 -15.420 1.00 33.14 H new ATOM 0 HA LEU B 26 -6.085 -3.821 -12.977 1.00 42.31 H new ATOM 0 HB2 LEU B 26 -6.020 -1.293 -14.578 1.00 31.44 H new ATOM 0 HB3 LEU B 26 -5.453 -1.340 -12.921 1.00 31.44 H new ATOM 0 HG LEU B 26 -4.395 -3.112 -15.140 1.00 32.43 H new ATOM 0 HD11 LEU B 26 -2.413 -1.659 -15.128 1.00 62.41 H new ATOM 0 HD12 LEU B 26 -3.882 -0.784 -15.621 1.00 62.41 H new ATOM 0 HD13 LEU B 26 -3.225 -0.567 -13.982 1.00 62.41 H new ATOM 0 HD21 LEU B 26 -2.565 -3.593 -13.572 1.00 63.20 H new ATOM 0 HD22 LEU B 26 -3.387 -2.628 -12.323 1.00 63.20 H new ATOM 0 HD23 LEU B 26 -4.144 -4.116 -12.939 1.00 63.20 H new ATOM 875 N VAL B 27 -8.172 -3.487 -11.691 1.00 52.21 N ATOM 876 CA VAL B 27 -9.220 -3.185 -10.731 1.00 0.32 C ATOM 877 C VAL B 27 -8.600 -2.524 -9.497 1.00 51.43 C ATOM 878 O VAL B 27 -7.414 -2.698 -9.226 1.00 5.32 O ATOM 879 CB VAL B 27 -10.005 -4.455 -10.397 1.00 21.34 C ATOM 880 CG1 VAL B 27 -10.755 -4.303 -9.073 1.00 35.25 C ATOM 881 CG2 VAL B 27 -10.964 -4.820 -11.532 1.00 31.12 C ATOM 0 H VAL B 27 -7.815 -4.441 -11.647 1.00 52.21 H new ATOM 0 HA VAL B 27 -9.934 -2.479 -11.155 1.00 0.32 H new ATOM 0 HB VAL B 27 -9.291 -5.271 -10.286 1.00 21.34 H new ATOM 0 HG11 VAL B 27 -11.305 -5.220 -8.859 1.00 35.25 H new ATOM 0 HG12 VAL B 27 -10.042 -4.112 -8.271 1.00 35.25 H new ATOM 0 HG13 VAL B 27 -11.453 -3.469 -9.144 1.00 35.25 H new ATOM 0 HG21 VAL B 27 -11.510 -5.726 -11.270 1.00 31.12 H new ATOM 0 HG22 VAL B 27 -11.669 -4.004 -11.689 1.00 31.12 H new ATOM 0 HG23 VAL B 27 -10.397 -4.990 -12.447 1.00 31.12 H new ATOM 891 N CYS B 28 -9.432 -1.779 -8.785 1.00 24.25 N ATOM 892 CA CYS B 28 -8.981 -1.091 -7.587 1.00 44.43 C ATOM 893 C CYS B 28 -10.195 -0.447 -6.916 1.00 14.34 C ATOM 894 O CYS B 28 -10.954 0.276 -7.561 1.00 1.25 O ATOM 895 CB CYS B 28 -7.892 -0.064 -7.901 1.00 43.10 C ATOM 896 SG CYS B 28 -8.510 1.557 -8.483 1.00 11.52 S ATOM 0 H CYS B 28 -10.416 -1.636 -9.014 1.00 24.25 H new ATOM 0 HA CYS B 28 -8.527 -1.808 -6.903 1.00 44.43 H new ATOM 0 HB2 CYS B 28 -7.291 0.093 -7.005 1.00 43.10 H new ATOM 0 HB3 CYS B 28 -7.230 -0.479 -8.661 1.00 43.10 H new ATOM 901 N CYS B 29 -10.343 -0.732 -5.631 1.00 44.12 N ATOM 902 CA CYS B 29 -11.453 -0.190 -4.866 1.00 4.33 C ATOM 903 C CYS B 29 -12.743 -0.439 -5.649 1.00 24.42 C ATOM 904 O CYS B 29 -13.404 0.504 -6.080 1.00 52.22 O ATOM 905 CB CYS B 29 -11.252 1.294 -4.552 1.00 40.52 C ATOM 906 SG CYS B 29 -11.597 2.426 -5.948 1.00 1.50 S ATOM 0 H CYS B 29 -9.712 -1.332 -5.100 1.00 44.12 H new ATOM 0 HA CYS B 29 -11.513 -0.693 -3.901 1.00 4.33 H new ATOM 0 HB2 CYS B 29 -11.896 1.565 -3.715 1.00 40.52 H new ATOM 0 HB3 CYS B 29 -10.223 1.446 -4.225 1.00 40.52 H new ATOM 911 N GLY B 30 -13.063 -1.715 -5.810 1.00 11.02 N ATOM 912 CA GLY B 30 -14.263 -2.100 -6.533 1.00 51.53 C ATOM 913 C GLY B 30 -14.499 -1.180 -7.732 1.00 45.32 C ATOM 914 O GLY B 30 -15.640 -0.959 -8.135 1.00 54.42 O ATOM 0 H GLY B 30 -12.512 -2.495 -5.452 1.00 11.02 H new ATOM 0 HA2 GLY B 30 -14.171 -3.131 -6.874 1.00 51.53 H new ATOM 0 HA3 GLY B 30 -15.123 -2.060 -5.865 1.00 51.53 H new ATOM 918 N GLU B 31 -13.402 -0.667 -8.270 1.00 45.10 N ATOM 919 CA GLU B 31 -13.475 0.225 -9.414 1.00 45.43 C ATOM 920 C GLU B 31 -12.336 -0.071 -10.392 1.00 70.44 C ATOM 921 O GLU B 31 -11.169 -0.088 -10.004 1.00 44.23 O ATOM 922 CB GLU B 31 -13.450 1.690 -8.971 1.00 65.43 C ATOM 923 CG GLU B 31 -14.779 2.379 -9.282 1.00 71.30 C ATOM 924 CD GLU B 31 -14.694 3.172 -10.587 1.00 41.14 C ATOM 925 OE1 GLU B 31 -14.458 2.587 -11.655 1.00 21.50 O ATOM 926 OE2 GLU B 31 -14.883 4.443 -10.468 1.00 30.51 O ATOM 0 H GLU B 31 -12.457 -0.853 -7.934 1.00 45.10 H new ATOM 0 HA GLU B 31 -14.422 0.050 -9.925 1.00 45.43 H new ATOM 0 HB2 GLU B 31 -13.248 1.747 -7.901 1.00 65.43 H new ATOM 0 HB3 GLU B 31 -12.638 2.213 -9.477 1.00 65.43 H new ATOM 0 HG2 GLU B 31 -15.570 1.633 -9.357 1.00 71.30 H new ATOM 0 HG3 GLU B 31 -15.047 3.047 -8.463 1.00 71.30 H new ATOM 933 N ASP B 32 -12.715 -0.298 -11.641 1.00 64.35 N ATOM 934 CA ASP B 32 -11.740 -0.594 -12.677 1.00 71.44 C ATOM 935 C ASP B 32 -11.003 0.691 -13.059 1.00 12.42 C ATOM 936 O ASP B 32 -11.525 1.510 -13.815 1.00 61.33 O ATOM 937 CB ASP B 32 -12.421 -1.140 -13.935 1.00 23.31 C ATOM 938 CG ASP B 32 -11.473 -1.484 -15.085 1.00 23.14 C ATOM 939 OD1 ASP B 32 -10.252 -1.595 -14.896 1.00 60.31 O ATOM 940 OD2 ASP B 32 -12.042 -1.643 -16.232 1.00 1.14 O ATOM 0 H ASP B 32 -13.684 -0.283 -11.959 1.00 64.35 H new ATOM 0 HA ASP B 32 -11.050 -1.342 -12.287 1.00 71.44 H new ATOM 0 HB2 ASP B 32 -12.982 -2.035 -13.667 1.00 23.31 H new ATOM 0 HB3 ASP B 32 -13.144 -0.404 -14.287 1.00 23.31 H new ATOM 945 N MET B 33 -9.801 0.828 -12.519 1.00 2.41 N ATOM 946 CA MET B 33 -8.987 2.001 -12.794 1.00 31.20 C ATOM 947 C MET B 33 -9.027 2.360 -14.280 1.00 42.15 C ATOM 948 O MET B 33 -8.702 1.533 -15.131 1.00 70.22 O ATOM 949 CB MET B 33 -7.542 1.728 -12.372 1.00 43.54 C ATOM 950 CG MET B 33 -6.964 2.914 -11.597 1.00 15.12 C ATOM 951 SD MET B 33 -5.946 2.328 -10.253 1.00 34.00 S ATOM 952 CE MET B 33 -4.989 1.089 -11.107 1.00 64.34 C ATOM 0 H MET B 33 -9.371 0.147 -11.893 1.00 2.41 H new ATOM 0 HA MET B 33 -9.388 2.841 -12.227 1.00 31.20 H new ATOM 0 HB2 MET B 33 -7.503 0.831 -11.754 1.00 43.54 H new ATOM 0 HB3 MET B 33 -6.932 1.534 -13.254 1.00 43.54 H new ATOM 0 HG2 MET B 33 -6.374 3.542 -12.264 1.00 15.12 H new ATOM 0 HG3 MET B 33 -7.772 3.534 -11.208 1.00 15.12 H new ATOM 0 HE1 MET B 33 -4.050 0.926 -10.578 1.00 64.34 H new ATOM 0 HE2 MET B 33 -5.552 0.156 -11.144 1.00 64.34 H new ATOM 0 HE3 MET B 33 -4.779 1.427 -12.122 1.00 64.34 H new ATOM 962 N VAL B 34 -9.426 3.594 -14.548 1.00 13.32 N ATOM 963 CA VAL B 34 -9.512 4.072 -15.917 1.00 54.33 C ATOM 964 C VAL B 34 -8.121 4.495 -16.394 1.00 24.25 C ATOM 965 O VAL B 34 -7.220 4.702 -15.582 1.00 63.33 O ATOM 966 CB VAL B 34 -10.544 5.199 -16.014 1.00 61.35 C ATOM 967 CG1 VAL B 34 -10.883 5.507 -17.474 1.00 21.32 C ATOM 968 CG2 VAL B 34 -11.806 4.855 -15.220 1.00 10.24 C ATOM 0 H VAL B 34 -9.694 4.278 -13.840 1.00 13.32 H new ATOM 0 HA VAL B 34 -9.855 3.276 -16.578 1.00 54.33 H new ATOM 0 HB VAL B 34 -10.105 6.095 -15.575 1.00 61.35 H new ATOM 0 HG11 VAL B 34 -11.618 6.311 -17.515 1.00 21.32 H new ATOM 0 HG12 VAL B 34 -9.979 5.814 -18.000 1.00 21.32 H new ATOM 0 HG13 VAL B 34 -11.294 4.615 -17.948 1.00 21.32 H new ATOM 0 HG21 VAL B 34 -12.523 5.671 -15.305 1.00 10.24 H new ATOM 0 HG22 VAL B 34 -12.248 3.941 -15.617 1.00 10.24 H new ATOM 0 HG23 VAL B 34 -11.547 4.707 -14.172 1.00 10.24 H new ATOM 978 N LYS B 35 -7.990 4.610 -17.707 1.00 0.51 N ATOM 979 CA LYS B 35 -6.724 5.004 -18.301 1.00 72.24 C ATOM 980 C LYS B 35 -6.818 6.455 -18.777 1.00 22.32 C ATOM 981 O LYS B 35 -7.850 6.876 -19.296 1.00 50.40 O ATOM 982 CB LYS B 35 -6.320 4.021 -19.402 1.00 32.30 C ATOM 983 CG LYS B 35 -6.919 4.430 -20.749 1.00 21.42 C ATOM 984 CD LYS B 35 -5.915 5.239 -21.572 1.00 50.43 C ATOM 985 CE LYS B 35 -4.838 4.332 -22.169 1.00 44.04 C ATOM 986 NZ LYS B 35 -3.929 5.110 -23.041 1.00 54.41 N ATOM 0 H LYS B 35 -8.740 4.437 -18.377 1.00 0.51 H new ATOM 0 HA LYS B 35 -5.926 4.962 -17.559 1.00 72.24 H new ATOM 0 HB2 LYS B 35 -5.233 3.983 -19.480 1.00 32.30 H new ATOM 0 HB3 LYS B 35 -6.656 3.018 -19.140 1.00 32.30 H new ATOM 0 HG2 LYS B 35 -7.217 3.540 -21.304 1.00 21.42 H new ATOM 0 HG3 LYS B 35 -7.821 5.020 -20.586 1.00 21.42 H new ATOM 0 HD2 LYS B 35 -6.436 5.766 -22.372 1.00 50.43 H new ATOM 0 HD3 LYS B 35 -5.449 5.996 -20.942 1.00 50.43 H new ATOM 0 HE2 LYS B 35 -4.268 3.860 -21.369 1.00 44.04 H new ATOM 0 HE3 LYS B 35 -5.305 3.532 -22.743 1.00 44.04 H new ATOM 0 HZ1 LYS B 35 -4.050 4.806 -24.028 1.00 54.41 H new ATOM 0 HZ2 LYS B 35 -4.153 6.122 -22.961 1.00 54.41 H new ATOM 0 HZ3 LYS B 35 -2.944 4.949 -22.748 1.00 54.41 H new ATOM 999 N GLN B 36 -5.726 7.180 -18.582 1.00 63.14 N ATOM 1000 CA GLN B 36 -5.672 8.575 -18.985 1.00 1.14 C ATOM 1001 C GLN B 36 -5.233 8.689 -20.446 1.00 42.20 C ATOM 1002 O GLN B 36 -4.107 9.093 -20.730 1.00 42.32 O ATOM 1003 CB GLN B 36 -4.743 9.375 -18.069 1.00 60.23 C ATOM 1004 CG GLN B 36 -4.797 8.843 -16.635 1.00 64.13 C ATOM 1005 CD GLN B 36 -6.118 9.217 -15.961 1.00 10.02 C ATOM 1006 OE1 GLN B 36 -6.329 10.338 -15.528 1.00 70.41 O ATOM 1007 NE2 GLN B 36 -6.994 8.218 -15.897 1.00 63.14 N ATOM 0 H GLN B 36 -4.872 6.827 -18.150 1.00 63.14 H new ATOM 0 HA GLN B 36 -6.672 8.998 -18.893 1.00 1.14 H new ATOM 0 HB2 GLN B 36 -3.721 9.319 -18.443 1.00 60.23 H new ATOM 0 HB3 GLN B 36 -5.030 10.426 -18.082 1.00 60.23 H new ATOM 0 HG2 GLN B 36 -4.682 7.759 -16.641 1.00 64.13 H new ATOM 0 HG3 GLN B 36 -3.964 9.249 -16.061 1.00 64.13 H new ATOM 0 HE21 GLN B 36 -6.753 7.303 -16.279 1.00 63.14 H new ATOM 0 HE22 GLN B 36 -7.906 8.367 -15.466 1.00 63.14 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.879 -9.758 -14.801 1.00 60.34 ZN HETATM 1018 ZN ZN B 37 -9.997 2.870 -7.380 1.00 34.44 ZN