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 Single : A 1 ALA N :NH3+ -157:sc= -1.73! (180deg=-3.25!) USER MOD Single : A 2 ASN : amide:sc=-0.000692 X(o=-0.00069,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.324 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -6.3! C(o=-6.3!,f=-7.4!) USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= -0.0329 (180deg=-0.363) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -143:sc= -8.68! (180deg=-11.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.11) USER MOD Single : B 1 ALA N :NH3+ 168:sc= -2.07! (180deg=-2.34!) USER MOD Single : B 2 ASN : amide:sc= -0.344 K(o=-0.34,f=-3!) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -4.98! C(o=-5!,f=-12!) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl 142:sc= -7.99! (180deg=-10.8!) USER MOD Single : B 35 LYS NZ :NH3+ -178:sc= 0.906 (180deg=0.883) USER MOD Single : B 36 GLN : amide:sc= -2.74! C(o=-2.7!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.172 1.982 -1.876 1.00 43.30 N ATOM 2 CA ALA A 1 0.762 0.900 -2.136 1.00 10.45 C ATOM 3 C ALA A 1 2.189 1.453 -2.140 1.00 75.03 C ATOM 4 O ALA A 1 2.900 1.337 -3.137 1.00 42.51 O ATOM 5 CB ALA A 1 0.399 0.216 -3.455 1.00 15.00 C ATOM 0 H1 ALA A 1 -1.056 1.592 -1.492 1.00 43.30 H new ATOM 0 H2 ALA A 1 0.244 2.642 -1.188 1.00 43.30 H new ATOM 0 H3 ALA A 1 -0.373 2.488 -2.762 1.00 43.30 H new ATOM 0 HA ALA A 1 0.702 0.146 -1.351 1.00 10.45 H new ATOM 0 HB1 ALA A 1 1.100 -0.596 -3.649 1.00 15.00 H new ATOM 0 HB2 ALA A 1 -0.612 -0.186 -3.390 1.00 15.00 H new ATOM 0 HB3 ALA A 1 0.450 0.941 -4.267 1.00 15.00 H new ATOM 11 N ASN A 2 2.564 2.043 -1.014 1.00 63.42 N ATOM 12 CA ASN A 2 3.893 2.614 -0.876 1.00 14.32 C ATOM 13 C ASN A 2 4.276 3.324 -2.176 1.00 3.10 C ATOM 14 O ASN A 2 4.851 2.712 -3.075 1.00 53.33 O ATOM 15 CB ASN A 2 4.935 1.527 -0.606 1.00 70.14 C ATOM 16 CG ASN A 2 5.011 1.198 0.886 1.00 30.25 C ATOM 17 OD1 ASN A 2 4.094 0.648 1.474 1.00 21.14 O ATOM 18 ND2 ASN A 2 6.152 1.565 1.463 1.00 31.03 N ATOM 0 H ASN A 2 1.971 2.138 -0.190 1.00 63.42 H new ATOM 0 HA ASN A 2 3.875 3.311 -0.038 1.00 14.32 H new ATOM 0 HB2 ASN A 2 4.682 0.628 -1.168 1.00 70.14 H new ATOM 0 HB3 ASN A 2 5.911 1.859 -0.959 1.00 70.14 H new ATOM 0 HD21 ASN A 2 6.300 1.390 2.457 1.00 31.03 H new ATOM 0 HD22 ASN A 2 6.879 2.022 0.912 1.00 31.03 H new ATOM 25 N GLU A 3 3.942 4.605 -2.234 1.00 1.32 N ATOM 26 CA GLU A 3 4.243 5.405 -3.409 1.00 5.03 C ATOM 27 C GLU A 3 5.669 5.125 -3.889 1.00 2.45 C ATOM 28 O GLU A 3 6.599 5.072 -3.086 1.00 23.43 O ATOM 29 CB GLU A 3 4.043 6.895 -3.124 1.00 73.13 C ATOM 30 CG GLU A 3 4.414 7.741 -4.344 1.00 23.22 C ATOM 31 CD GLU A 3 4.485 9.225 -3.981 1.00 34.25 C ATOM 32 OE1 GLU A 3 5.094 9.585 -2.962 1.00 52.21 O ATOM 33 OE2 GLU A 3 3.879 10.017 -4.799 1.00 72.52 O ATOM 0 H GLU A 3 3.466 5.109 -1.486 1.00 1.32 H new ATOM 0 HA GLU A 3 3.551 5.125 -4.203 1.00 5.03 H new ATOM 0 HB2 GLU A 3 3.004 7.080 -2.851 1.00 73.13 H new ATOM 0 HB3 GLU A 3 4.655 7.191 -2.272 1.00 73.13 H new ATOM 0 HG2 GLU A 3 5.375 7.413 -4.739 1.00 23.22 H new ATOM 0 HG3 GLU A 3 3.677 7.591 -5.133 1.00 23.22 H new ATOM 40 N GLY A 4 5.797 4.957 -5.197 1.00 22.20 N ATOM 41 CA GLY A 4 7.094 4.685 -5.793 1.00 41.21 C ATOM 42 C GLY A 4 7.379 3.182 -5.824 1.00 31.44 C ATOM 43 O GLY A 4 8.512 2.767 -6.062 1.00 25.53 O ATOM 0 H GLY A 4 5.024 5.004 -5.861 1.00 22.20 H new ATOM 0 HA2 GLY A 4 7.124 5.085 -6.806 1.00 41.21 H new ATOM 0 HA3 GLY A 4 7.873 5.195 -5.226 1.00 41.21 H new ATOM 47 N ASP A 5 6.332 2.408 -5.579 1.00 15.12 N ATOM 48 CA ASP A 5 6.456 0.960 -5.575 1.00 73.03 C ATOM 49 C ASP A 5 5.845 0.398 -6.861 1.00 51.21 C ATOM 50 O ASP A 5 4.905 0.972 -7.409 1.00 22.53 O ATOM 51 CB ASP A 5 5.709 0.347 -4.389 1.00 61.23 C ATOM 52 CG ASP A 5 6.475 0.361 -3.066 1.00 1.21 C ATOM 53 OD1 ASP A 5 7.328 1.230 -2.831 1.00 12.41 O ATOM 54 OD2 ASP A 5 6.161 -0.582 -2.244 1.00 25.22 O ATOM 0 H ASP A 5 5.394 2.756 -5.382 1.00 15.12 H new ATOM 0 HA ASP A 5 7.515 0.711 -5.501 1.00 73.03 H new ATOM 0 HB2 ASP A 5 4.770 0.884 -4.254 1.00 61.23 H new ATOM 0 HB3 ASP A 5 5.454 -0.684 -4.633 1.00 61.23 H new ATOM 59 N VAL A 6 6.405 -0.718 -7.305 1.00 51.13 N ATOM 60 CA VAL A 6 5.928 -1.364 -8.516 1.00 33.24 C ATOM 61 C VAL A 6 5.219 -2.668 -8.147 1.00 34.11 C ATOM 62 O VAL A 6 5.626 -3.358 -7.213 1.00 31.31 O ATOM 63 CB VAL A 6 7.089 -1.570 -9.492 1.00 13.03 C ATOM 64 CG1 VAL A 6 6.695 -2.529 -10.617 1.00 63.42 C ATOM 65 CG2 VAL A 6 7.575 -0.233 -10.055 1.00 24.23 C ATOM 0 H VAL A 6 7.184 -1.191 -6.848 1.00 51.13 H new ATOM 0 HA VAL A 6 5.201 -0.731 -9.026 1.00 33.24 H new ATOM 0 HB VAL A 6 7.915 -2.021 -8.941 1.00 13.03 H new ATOM 0 HG11 VAL A 6 7.537 -2.658 -11.297 1.00 63.42 H new ATOM 0 HG12 VAL A 6 6.420 -3.494 -10.192 1.00 63.42 H new ATOM 0 HG13 VAL A 6 5.847 -2.118 -11.165 1.00 63.42 H new ATOM 0 HG21 VAL A 6 8.400 -0.407 -10.746 1.00 24.23 H new ATOM 0 HG22 VAL A 6 6.758 0.258 -10.583 1.00 24.23 H new ATOM 0 HG23 VAL A 6 7.914 0.404 -9.238 1.00 24.23 H new ATOM 75 N TYR A 7 4.170 -2.968 -8.899 1.00 62.01 N ATOM 76 CA TYR A 7 3.400 -4.176 -8.663 1.00 21.54 C ATOM 77 C TYR A 7 3.309 -5.026 -9.932 1.00 51.02 C ATOM 78 O TYR A 7 3.235 -4.491 -11.037 1.00 65.11 O ATOM 79 CB TYR A 7 1.995 -3.713 -8.272 1.00 50.24 C ATOM 80 CG TYR A 7 1.828 -3.421 -6.779 1.00 65.54 C ATOM 81 CD1 TYR A 7 2.553 -2.406 -6.190 1.00 4.10 C ATOM 82 CD2 TYR A 7 0.954 -4.174 -6.023 1.00 11.41 C ATOM 83 CE1 TYR A 7 2.397 -2.131 -4.785 1.00 3.11 C ATOM 84 CE2 TYR A 7 0.797 -3.899 -4.618 1.00 35.12 C ATOM 85 CZ TYR A 7 1.527 -2.892 -4.068 1.00 54.41 C ATOM 86 OH TYR A 7 1.379 -2.633 -2.741 1.00 73.12 O ATOM 0 H TYR A 7 3.836 -2.394 -9.673 1.00 62.01 H new ATOM 0 HA TYR A 7 3.870 -4.784 -7.890 1.00 21.54 H new ATOM 0 HB2 TYR A 7 1.750 -2.814 -8.837 1.00 50.24 H new ATOM 0 HB3 TYR A 7 1.277 -4.479 -8.564 1.00 50.24 H new ATOM 0 HD1 TYR A 7 3.238 -1.817 -6.783 1.00 4.10 H new ATOM 0 HD2 TYR A 7 0.388 -4.969 -6.484 1.00 11.41 H new ATOM 0 HE1 TYR A 7 2.958 -1.339 -4.312 1.00 3.11 H new ATOM 0 HE2 TYR A 7 0.115 -4.480 -4.015 1.00 35.12 H new ATOM 0 HH TYR A 7 0.725 -3.254 -2.358 1.00 73.12 H new ATOM 96 N LYS A 8 3.317 -6.336 -9.732 1.00 32.11 N ATOM 97 CA LYS A 8 3.236 -7.264 -10.846 1.00 44.24 C ATOM 98 C LYS A 8 2.087 -8.245 -10.606 1.00 40.54 C ATOM 99 O LYS A 8 1.937 -8.773 -9.505 1.00 12.12 O ATOM 100 CB LYS A 8 4.588 -7.944 -11.076 1.00 60.32 C ATOM 101 CG LYS A 8 4.633 -8.627 -12.445 1.00 42.41 C ATOM 102 CD LYS A 8 6.076 -8.820 -12.914 1.00 22.04 C ATOM 103 CE LYS A 8 6.407 -10.305 -13.073 1.00 14.12 C ATOM 104 NZ LYS A 8 7.841 -10.486 -13.389 1.00 63.41 N ATOM 0 H LYS A 8 3.378 -6.776 -8.814 1.00 32.11 H new ATOM 0 HA LYS A 8 3.012 -6.731 -11.770 1.00 44.24 H new ATOM 0 HB2 LYS A 8 5.387 -7.205 -11.008 1.00 60.32 H new ATOM 0 HB3 LYS A 8 4.767 -8.680 -10.292 1.00 60.32 H new ATOM 0 HG2 LYS A 8 4.132 -9.594 -12.390 1.00 42.41 H new ATOM 0 HG3 LYS A 8 4.087 -8.027 -13.173 1.00 42.41 H new ATOM 0 HD2 LYS A 8 6.225 -8.307 -13.864 1.00 22.04 H new ATOM 0 HD3 LYS A 8 6.759 -8.366 -12.196 1.00 22.04 H new ATOM 0 HE2 LYS A 8 6.161 -10.839 -12.155 1.00 14.12 H new ATOM 0 HE3 LYS A 8 5.797 -10.737 -13.866 1.00 14.12 H new ATOM 0 HZ1 LYS A 8 8.048 -11.500 -13.494 1.00 63.41 H new ATOM 0 HZ2 LYS A 8 8.066 -9.993 -14.277 1.00 63.41 H new ATOM 0 HZ3 LYS A 8 8.419 -10.092 -12.619 1.00 63.41 H new ATOM 117 N CYS A 9 1.305 -8.459 -11.654 1.00 13.21 N ATOM 118 CA CYS A 9 0.173 -9.367 -11.570 1.00 44.03 C ATOM 119 C CYS A 9 0.690 -10.739 -11.132 1.00 43.11 C ATOM 120 O CYS A 9 -0.015 -11.484 -10.453 1.00 51.13 O ATOM 121 CB CYS A 9 -0.591 -9.441 -12.893 1.00 73.32 C ATOM 122 SG CYS A 9 -2.075 -10.515 -12.864 1.00 5.24 S ATOM 0 H CYS A 9 1.433 -8.020 -12.566 1.00 13.21 H new ATOM 0 HA CYS A 9 -0.541 -8.997 -10.834 1.00 44.03 H new ATOM 0 HB2 CYS A 9 -0.894 -8.434 -13.178 1.00 73.32 H new ATOM 0 HB3 CYS A 9 0.086 -9.801 -13.668 1.00 73.32 H new ATOM 127 N GLU A 10 1.917 -11.031 -11.538 1.00 3.41 N ATOM 128 CA GLU A 10 2.537 -12.300 -11.195 1.00 32.04 C ATOM 129 C GLU A 10 1.857 -13.444 -11.951 1.00 55.41 C ATOM 130 O GLU A 10 2.201 -14.609 -11.761 1.00 42.22 O ATOM 131 CB GLU A 10 2.495 -12.540 -9.685 1.00 34.32 C ATOM 132 CG GLU A 10 3.658 -11.836 -8.985 1.00 12.41 C ATOM 133 CD GLU A 10 4.845 -12.785 -8.803 1.00 11.43 C ATOM 134 OE1 GLU A 10 4.671 -13.904 -8.298 1.00 71.14 O ATOM 135 OE2 GLU A 10 5.979 -12.323 -9.208 1.00 13.25 O ATOM 0 H GLU A 10 2.499 -10.411 -12.101 1.00 3.41 H new ATOM 0 HA GLU A 10 3.584 -12.264 -11.495 1.00 32.04 H new ATOM 0 HB2 GLU A 10 1.550 -12.177 -9.282 1.00 34.32 H new ATOM 0 HB3 GLU A 10 2.538 -13.610 -9.482 1.00 34.32 H new ATOM 0 HG2 GLU A 10 3.967 -10.969 -9.569 1.00 12.41 H new ATOM 0 HG3 GLU A 10 3.332 -11.466 -8.013 1.00 12.41 H new ATOM 142 N LEU A 11 0.904 -13.070 -12.793 1.00 44.13 N ATOM 143 CA LEU A 11 0.174 -14.049 -13.579 1.00 34.34 C ATOM 144 C LEU A 11 0.314 -13.712 -15.065 1.00 30.41 C ATOM 145 O LEU A 11 1.172 -14.265 -15.751 1.00 53.23 O ATOM 146 CB LEU A 11 -1.278 -14.142 -13.104 1.00 34.10 C ATOM 147 CG LEU A 11 -2.264 -14.782 -14.083 1.00 12.02 C ATOM 148 CD1 LEU A 11 -2.075 -16.300 -14.138 1.00 54.22 C ATOM 149 CD2 LEU A 11 -3.705 -14.396 -13.741 1.00 53.33 C ATOM 0 H LEU A 11 0.621 -12.102 -12.947 1.00 44.13 H new ATOM 0 HA LEU A 11 0.597 -15.043 -13.436 1.00 34.34 H new ATOM 0 HB2 LEU A 11 -1.300 -14.710 -12.174 1.00 34.10 H new ATOM 0 HB3 LEU A 11 -1.629 -13.136 -12.871 1.00 34.10 H new ATOM 0 HG LEU A 11 -2.055 -14.395 -15.080 1.00 12.02 H new ATOM 0 HD11 LEU A 11 -2.788 -16.730 -14.841 1.00 54.22 H new ATOM 0 HD12 LEU A 11 -1.060 -16.529 -14.464 1.00 54.22 H new ATOM 0 HD13 LEU A 11 -2.242 -16.724 -13.148 1.00 54.22 H new ATOM 0 HD21 LEU A 11 -4.386 -14.864 -14.452 1.00 53.33 H new ATOM 0 HD22 LEU A 11 -3.943 -14.736 -12.733 1.00 53.33 H new ATOM 0 HD23 LEU A 11 -3.814 -13.313 -13.794 1.00 53.33 H new ATOM 161 N CYS A 12 -0.541 -12.807 -15.517 1.00 75.41 N ATOM 162 CA CYS A 12 -0.523 -12.391 -16.908 1.00 52.44 C ATOM 163 C CYS A 12 0.871 -11.848 -17.230 1.00 23.42 C ATOM 164 O CYS A 12 1.347 -11.979 -18.357 1.00 21.33 O ATOM 165 CB CYS A 12 -1.617 -11.363 -17.206 1.00 15.34 C ATOM 166 SG CYS A 12 -1.470 -9.795 -16.274 1.00 12.33 S ATOM 0 H CYS A 12 -1.251 -12.350 -14.944 1.00 75.41 H new ATOM 0 HA CYS A 12 -0.736 -13.247 -17.548 1.00 52.44 H new ATOM 0 HB2 CYS A 12 -1.604 -11.138 -18.272 1.00 15.34 H new ATOM 0 HB3 CYS A 12 -2.586 -11.811 -16.986 1.00 15.34 H new ATOM 171 N GLY A 13 1.486 -11.252 -16.220 1.00 60.10 N ATOM 172 CA GLY A 13 2.816 -10.691 -16.380 1.00 5.40 C ATOM 173 C GLY A 13 2.749 -9.180 -16.616 1.00 23.15 C ATOM 174 O GLY A 13 3.541 -8.631 -17.380 1.00 64.12 O ATOM 0 H GLY A 13 1.088 -11.145 -15.287 1.00 60.10 H new ATOM 0 HA2 GLY A 13 3.411 -10.898 -15.491 1.00 5.40 H new ATOM 0 HA3 GLY A 13 3.319 -11.172 -17.219 1.00 5.40 H new ATOM 178 N GLN A 14 1.795 -8.550 -15.945 1.00 23.23 N ATOM 179 CA GLN A 14 1.614 -7.115 -16.071 1.00 13.52 C ATOM 180 C GLN A 14 2.349 -6.386 -14.945 1.00 41.31 C ATOM 181 O GLN A 14 2.252 -6.773 -13.782 1.00 30.51 O ATOM 182 CB GLN A 14 0.128 -6.748 -16.083 1.00 22.22 C ATOM 183 CG GLN A 14 -0.064 -5.236 -15.959 1.00 52.12 C ATOM 184 CD GLN A 14 -1.169 -4.745 -16.897 1.00 73.52 C ATOM 185 OE1 GLN A 14 -0.928 -4.063 -17.879 1.00 53.24 O ATOM 186 NE2 GLN A 14 -2.391 -5.130 -16.542 1.00 75.44 N ATOM 0 H GLN A 14 1.139 -9.008 -15.312 1.00 23.23 H new ATOM 0 HA GLN A 14 2.041 -6.797 -17.022 1.00 13.52 H new ATOM 0 HB2 GLN A 14 -0.330 -7.102 -17.007 1.00 22.22 H new ATOM 0 HB3 GLN A 14 -0.381 -7.251 -15.261 1.00 22.22 H new ATOM 0 HG2 GLN A 14 -0.316 -4.981 -14.930 1.00 52.12 H new ATOM 0 HG3 GLN A 14 0.871 -4.727 -16.194 1.00 52.12 H new ATOM 0 HE21 GLN A 14 -2.523 -5.701 -15.707 1.00 75.44 H new ATOM 0 HE22 GLN A 14 -3.196 -4.854 -17.104 1.00 75.44 H new ATOM 195 N VAL A 15 3.070 -5.342 -15.330 1.00 74.14 N ATOM 196 CA VAL A 15 3.821 -4.555 -14.367 1.00 43.12 C ATOM 197 C VAL A 15 3.306 -3.115 -14.379 1.00 31.33 C ATOM 198 O VAL A 15 3.112 -2.530 -15.443 1.00 4.21 O ATOM 199 CB VAL A 15 5.318 -4.657 -14.664 1.00 25.44 C ATOM 200 CG1 VAL A 15 6.133 -3.829 -13.666 1.00 70.25 C ATOM 201 CG2 VAL A 15 5.779 -6.116 -14.670 1.00 22.24 C ATOM 0 H VAL A 15 3.150 -5.023 -16.296 1.00 74.14 H new ATOM 0 HA VAL A 15 3.675 -4.943 -13.359 1.00 43.12 H new ATOM 0 HB VAL A 15 5.490 -4.248 -15.659 1.00 25.44 H new ATOM 0 HG11 VAL A 15 7.194 -3.919 -13.899 1.00 70.25 H new ATOM 0 HG12 VAL A 15 5.834 -2.783 -13.732 1.00 70.25 H new ATOM 0 HG13 VAL A 15 5.952 -4.195 -12.656 1.00 70.25 H new ATOM 0 HG21 VAL A 15 6.847 -6.159 -14.884 1.00 22.24 H new ATOM 0 HG22 VAL A 15 5.586 -6.563 -13.695 1.00 22.24 H new ATOM 0 HG23 VAL A 15 5.233 -6.667 -15.436 1.00 22.24 H new ATOM 211 N VAL A 16 3.099 -2.584 -13.182 1.00 32.41 N ATOM 212 CA VAL A 16 2.609 -1.224 -13.042 1.00 45.12 C ATOM 213 C VAL A 16 3.340 -0.540 -11.884 1.00 23.51 C ATOM 214 O VAL A 16 3.974 -1.206 -11.067 1.00 33.53 O ATOM 215 CB VAL A 16 1.089 -1.229 -12.869 1.00 22.01 C ATOM 216 CG1 VAL A 16 0.391 -1.630 -14.170 1.00 12.02 C ATOM 217 CG2 VAL A 16 0.672 -2.146 -11.717 1.00 51.33 C ATOM 0 H VAL A 16 3.262 -3.072 -12.301 1.00 32.41 H new ATOM 0 HA VAL A 16 2.817 -0.649 -13.944 1.00 45.12 H new ATOM 0 HB VAL A 16 0.776 -0.215 -12.620 1.00 22.01 H new ATOM 0 HG11 VAL A 16 -0.689 -1.626 -14.020 1.00 12.02 H new ATOM 0 HG12 VAL A 16 0.651 -0.921 -14.956 1.00 12.02 H new ATOM 0 HG13 VAL A 16 0.713 -2.630 -14.462 1.00 12.02 H new ATOM 0 HG21 VAL A 16 -0.413 -2.132 -11.615 1.00 51.33 H new ATOM 0 HG22 VAL A 16 1.004 -3.164 -11.924 1.00 51.33 H new ATOM 0 HG23 VAL A 16 1.128 -1.797 -10.791 1.00 51.33 H new ATOM 227 N LYS A 17 3.229 0.779 -11.851 1.00 70.05 N ATOM 228 CA LYS A 17 3.871 1.559 -10.807 1.00 54.32 C ATOM 229 C LYS A 17 2.799 2.236 -9.950 1.00 30.21 C ATOM 230 O LYS A 17 1.647 2.351 -10.366 1.00 65.21 O ATOM 231 CB LYS A 17 4.881 2.535 -11.413 1.00 14.32 C ATOM 232 CG LYS A 17 5.986 2.874 -10.410 1.00 61.42 C ATOM 233 CD LYS A 17 6.314 4.368 -10.437 1.00 74.24 C ATOM 234 CE LYS A 17 6.455 4.925 -9.019 1.00 22.40 C ATOM 235 NZ LYS A 17 5.590 6.112 -8.840 1.00 0.21 N ATOM 0 H LYS A 17 2.703 1.328 -12.531 1.00 70.05 H new ATOM 0 HA LYS A 17 4.446 0.911 -10.145 1.00 54.32 H new ATOM 0 HB2 LYS A 17 5.321 2.099 -12.310 1.00 14.32 H new ATOM 0 HB3 LYS A 17 4.371 3.448 -11.720 1.00 14.32 H new ATOM 0 HG2 LYS A 17 5.672 2.585 -9.407 1.00 61.42 H new ATOM 0 HG3 LYS A 17 6.882 2.298 -10.642 1.00 61.42 H new ATOM 0 HD2 LYS A 17 7.240 4.531 -10.989 1.00 74.24 H new ATOM 0 HD3 LYS A 17 5.528 4.907 -10.967 1.00 74.24 H new ATOM 0 HE2 LYS A 17 6.186 4.158 -8.292 1.00 22.40 H new ATOM 0 HE3 LYS A 17 7.494 5.193 -8.829 1.00 22.40 H new ATOM 0 HZ1 LYS A 17 5.249 6.148 -7.858 1.00 0.21 H new ATOM 0 HZ2 LYS A 17 6.134 6.973 -9.049 1.00 0.21 H new ATOM 0 HZ3 LYS A 17 4.778 6.050 -9.487 1.00 0.21 H new ATOM 248 N VAL A 18 3.216 2.666 -8.768 1.00 63.51 N ATOM 249 CA VAL A 18 2.307 3.327 -7.849 1.00 32.35 C ATOM 250 C VAL A 18 2.564 4.835 -7.880 1.00 4.24 C ATOM 251 O VAL A 18 3.359 5.349 -7.094 1.00 23.03 O ATOM 252 CB VAL A 18 2.447 2.725 -6.449 1.00 43.10 C ATOM 253 CG1 VAL A 18 1.623 3.512 -5.429 1.00 4.54 C ATOM 254 CG2 VAL A 18 2.056 1.246 -6.446 1.00 1.53 C ATOM 0 H VAL A 18 4.172 2.569 -8.426 1.00 63.51 H new ATOM 0 HA VAL A 18 1.273 3.167 -8.154 1.00 32.35 H new ATOM 0 HB VAL A 18 3.495 2.795 -6.158 1.00 43.10 H new ATOM 0 HG11 VAL A 18 1.740 3.063 -4.443 1.00 4.54 H new ATOM 0 HG12 VAL A 18 1.969 4.545 -5.401 1.00 4.54 H new ATOM 0 HG13 VAL A 18 0.572 3.489 -5.715 1.00 4.54 H new ATOM 0 HG21 VAL A 18 2.165 0.843 -5.439 1.00 1.53 H new ATOM 0 HG22 VAL A 18 1.020 1.143 -6.768 1.00 1.53 H new ATOM 0 HG23 VAL A 18 2.705 0.697 -7.129 1.00 1.53 H new ATOM 264 N LEU A 19 1.878 5.502 -8.797 1.00 32.14 N ATOM 265 CA LEU A 19 2.023 6.940 -8.940 1.00 10.45 C ATOM 266 C LEU A 19 1.417 7.634 -7.719 1.00 21.14 C ATOM 267 O LEU A 19 2.005 8.568 -7.175 1.00 30.04 O ATOM 268 CB LEU A 19 1.430 7.408 -10.270 1.00 55.23 C ATOM 269 CG LEU A 19 2.216 8.491 -11.011 1.00 41.05 C ATOM 270 CD1 LEU A 19 2.328 9.762 -10.168 1.00 13.13 C ATOM 271 CD2 LEU A 19 3.587 7.971 -11.449 1.00 62.45 C ATOM 0 H LEU A 19 1.220 5.073 -9.448 1.00 32.14 H new ATOM 0 HA LEU A 19 3.077 7.215 -8.972 1.00 10.45 H new ATOM 0 HB2 LEU A 19 1.334 6.543 -10.927 1.00 55.23 H new ATOM 0 HB3 LEU A 19 0.423 7.781 -10.085 1.00 55.23 H new ATOM 0 HG LEU A 19 1.667 8.752 -11.915 1.00 41.05 H new ATOM 0 HD11 LEU A 19 2.891 10.515 -10.719 1.00 13.13 H new ATOM 0 HD12 LEU A 19 1.330 10.143 -9.950 1.00 13.13 H new ATOM 0 HD13 LEU A 19 2.842 9.535 -9.234 1.00 13.13 H new ATOM 0 HD21 LEU A 19 4.125 8.761 -11.973 1.00 62.45 H new ATOM 0 HD22 LEU A 19 4.157 7.664 -10.572 1.00 62.45 H new ATOM 0 HD23 LEU A 19 3.457 7.117 -12.114 1.00 62.45 H new ATOM 283 N GLU A 20 0.249 7.151 -7.323 1.00 13.31 N ATOM 284 CA GLU A 20 -0.444 7.714 -6.175 1.00 30.51 C ATOM 285 C GLU A 20 -1.236 6.625 -5.448 1.00 51.12 C ATOM 286 O GLU A 20 -1.897 5.805 -6.083 1.00 33.35 O ATOM 287 CB GLU A 20 -1.356 8.867 -6.596 1.00 71.02 C ATOM 288 CG GLU A 20 -0.595 10.194 -6.604 1.00 63.24 C ATOM 289 CD GLU A 20 -0.933 11.014 -7.850 1.00 40.12 C ATOM 290 OE1 GLU A 20 -2.109 11.330 -8.084 1.00 74.12 O ATOM 291 OE2 GLU A 20 0.077 11.325 -8.590 1.00 2.34 O ATOM 0 H GLU A 20 -0.236 6.376 -7.776 1.00 13.31 H new ATOM 0 HA GLU A 20 0.300 8.116 -5.487 1.00 30.51 H new ATOM 0 HB2 GLU A 20 -1.762 8.671 -7.588 1.00 71.02 H new ATOM 0 HB3 GLU A 20 -2.203 8.934 -5.913 1.00 71.02 H new ATOM 0 HG2 GLU A 20 -0.844 10.765 -5.710 1.00 63.24 H new ATOM 0 HG3 GLU A 20 0.477 10.002 -6.571 1.00 63.24 H new ATOM 298 N GLU A 21 -1.143 6.654 -4.127 1.00 32.14 N ATOM 299 CA GLU A 21 -1.844 5.681 -3.306 1.00 42.03 C ATOM 300 C GLU A 21 -3.326 6.046 -3.196 1.00 4.42 C ATOM 301 O GLU A 21 -3.697 7.205 -3.376 1.00 13.50 O ATOM 302 CB GLU A 21 -1.203 5.569 -1.922 1.00 25.52 C ATOM 303 CG GLU A 21 0.270 5.166 -2.030 1.00 54.21 C ATOM 304 CD GLU A 21 0.963 5.248 -0.668 1.00 72.21 C ATOM 305 OE1 GLU A 21 1.025 6.332 -0.069 1.00 34.43 O ATOM 306 OE2 GLU A 21 1.447 4.134 -0.235 1.00 5.23 O ATOM 0 H GLU A 21 -0.593 7.336 -3.605 1.00 32.14 H new ATOM 0 HA GLU A 21 -1.766 4.706 -3.787 1.00 42.03 H new ATOM 0 HB2 GLU A 21 -1.285 6.523 -1.401 1.00 25.52 H new ATOM 0 HB3 GLU A 21 -1.742 4.833 -1.326 1.00 25.52 H new ATOM 0 HG2 GLU A 21 0.345 4.151 -2.420 1.00 54.21 H new ATOM 0 HG3 GLU A 21 0.778 5.818 -2.740 1.00 54.21 H new ATOM 313 N GLY A 22 -4.131 5.036 -2.902 1.00 3.51 N ATOM 314 CA GLY A 22 -5.564 5.237 -2.765 1.00 10.21 C ATOM 315 C GLY A 22 -6.168 4.229 -1.785 1.00 2.41 C ATOM 316 O GLY A 22 -5.444 3.454 -1.162 1.00 55.34 O ATOM 0 H GLY A 22 -3.819 4.076 -2.755 1.00 3.51 H new ATOM 0 HA2 GLY A 22 -5.761 6.251 -2.417 1.00 10.21 H new ATOM 0 HA3 GLY A 22 -6.044 5.135 -3.738 1.00 10.21 H new ATOM 320 N GLY A 23 -7.488 4.275 -1.678 1.00 43.12 N ATOM 321 CA GLY A 23 -8.197 3.376 -0.784 1.00 63.42 C ATOM 322 C GLY A 23 -8.710 2.146 -1.537 1.00 3.45 C ATOM 323 O GLY A 23 -9.861 1.746 -1.368 1.00 40.25 O ATOM 0 H GLY A 23 -8.085 4.921 -2.195 1.00 43.12 H new ATOM 0 HA2 GLY A 23 -7.535 3.063 0.023 1.00 63.42 H new ATOM 0 HA3 GLY A 23 -9.034 3.901 -0.324 1.00 63.42 H new ATOM 327 N GLY A 24 -7.830 1.580 -2.350 1.00 43.51 N ATOM 328 CA GLY A 24 -8.179 0.404 -3.129 1.00 11.10 C ATOM 329 C GLY A 24 -6.953 -0.479 -3.367 1.00 22.23 C ATOM 330 O GLY A 24 -5.823 -0.059 -3.121 1.00 12.13 O ATOM 0 H GLY A 24 -6.876 1.914 -2.486 1.00 43.51 H new ATOM 0 HA2 GLY A 24 -8.947 -0.167 -2.608 1.00 11.10 H new ATOM 0 HA3 GLY A 24 -8.603 0.710 -4.086 1.00 11.10 H new ATOM 334 N THR A 25 -7.217 -1.687 -3.843 1.00 42.34 N ATOM 335 CA THR A 25 -6.150 -2.633 -4.118 1.00 25.41 C ATOM 336 C THR A 25 -6.054 -2.909 -5.619 1.00 25.12 C ATOM 337 O THR A 25 -7.069 -2.954 -6.312 1.00 10.34 O ATOM 338 CB THR A 25 -6.407 -3.890 -3.285 1.00 24.14 C ATOM 339 OG1 THR A 25 -6.008 -3.521 -1.967 1.00 3.13 O ATOM 340 CG2 THR A 25 -5.464 -5.039 -3.651 1.00 42.14 C ATOM 0 H THR A 25 -8.155 -2.032 -4.045 1.00 42.34 H new ATOM 0 HA THR A 25 -5.179 -2.228 -3.832 1.00 25.41 H new ATOM 0 HB THR A 25 -7.440 -4.210 -3.422 1.00 24.14 H new ATOM 0 HG1 THR A 25 -6.143 -4.279 -1.360 1.00 3.13 H new ATOM 0 HG21 THR A 25 -5.689 -5.906 -3.030 1.00 42.14 H new ATOM 0 HG22 THR A 25 -5.598 -5.299 -4.701 1.00 42.14 H new ATOM 0 HG23 THR A 25 -4.432 -4.731 -3.483 1.00 42.14 H new ATOM 348 N LEU A 26 -4.823 -3.086 -6.079 1.00 73.41 N ATOM 349 CA LEU A 26 -4.581 -3.356 -7.485 1.00 74.42 C ATOM 350 C LEU A 26 -4.998 -4.793 -7.803 1.00 61.54 C ATOM 351 O LEU A 26 -4.390 -5.743 -7.312 1.00 73.43 O ATOM 352 CB LEU A 26 -3.129 -3.042 -7.849 1.00 71.24 C ATOM 353 CG LEU A 26 -2.716 -1.572 -7.752 1.00 1.01 C ATOM 354 CD1 LEU A 26 -1.193 -1.429 -7.757 1.00 63.32 C ATOM 355 CD2 LEU A 26 -3.373 -0.744 -8.856 1.00 40.13 C ATOM 0 H LEU A 26 -3.983 -3.047 -5.502 1.00 73.41 H new ATOM 0 HA LEU A 26 -5.190 -2.702 -8.109 1.00 74.42 H new ATOM 0 HB2 LEU A 26 -2.478 -3.625 -7.198 1.00 71.24 H new ATOM 0 HB3 LEU A 26 -2.949 -3.383 -8.869 1.00 71.24 H new ATOM 0 HG LEU A 26 -3.073 -1.179 -6.800 1.00 1.01 H new ATOM 0 HD11 LEU A 26 -0.926 -0.374 -7.687 1.00 63.32 H new ATOM 0 HD12 LEU A 26 -0.774 -1.966 -6.906 1.00 63.32 H new ATOM 0 HD13 LEU A 26 -0.792 -1.844 -8.681 1.00 63.32 H new ATOM 0 HD21 LEU A 26 -3.063 0.297 -8.764 1.00 40.13 H new ATOM 0 HD22 LEU A 26 -3.069 -1.129 -9.829 1.00 40.13 H new ATOM 0 HD23 LEU A 26 -4.457 -0.809 -8.763 1.00 40.13 H new ATOM 367 N VAL A 27 -6.033 -4.909 -8.624 1.00 24.11 N ATOM 368 CA VAL A 27 -6.537 -6.214 -9.013 1.00 70.33 C ATOM 369 C VAL A 27 -6.268 -6.437 -10.503 1.00 1.15 C ATOM 370 O VAL A 27 -6.403 -5.516 -11.306 1.00 0.31 O ATOM 371 CB VAL A 27 -8.019 -6.332 -8.649 1.00 10.12 C ATOM 372 CG1 VAL A 27 -8.639 -7.584 -9.272 1.00 62.53 C ATOM 373 CG2 VAL A 27 -8.213 -6.322 -7.131 1.00 73.14 C ATOM 0 H VAL A 27 -6.535 -4.120 -9.030 1.00 24.11 H new ATOM 0 HA VAL A 27 -6.018 -7.002 -8.468 1.00 70.33 H new ATOM 0 HB VAL A 27 -8.535 -5.463 -9.059 1.00 10.12 H new ATOM 0 HG11 VAL A 27 -9.692 -7.644 -8.998 1.00 62.53 H new ATOM 0 HG12 VAL A 27 -8.549 -7.533 -10.357 1.00 62.53 H new ATOM 0 HG13 VAL A 27 -8.118 -8.469 -8.906 1.00 62.53 H new ATOM 0 HG21 VAL A 27 -9.275 -6.407 -6.899 1.00 73.14 H new ATOM 0 HG22 VAL A 27 -7.677 -7.162 -6.690 1.00 73.14 H new ATOM 0 HG23 VAL A 27 -7.826 -5.389 -6.721 1.00 73.14 H new ATOM 383 N CYS A 28 -5.893 -7.666 -10.826 1.00 1.23 N ATOM 384 CA CYS A 28 -5.604 -8.021 -12.205 1.00 2.15 C ATOM 385 C CYS A 28 -5.877 -9.516 -12.383 1.00 53.15 C ATOM 386 O CYS A 28 -5.356 -10.340 -11.634 1.00 1.12 O ATOM 387 CB CYS A 28 -4.171 -7.653 -12.596 1.00 3.12 C ATOM 388 SG CYS A 28 -3.833 -7.686 -14.394 1.00 22.32 S ATOM 0 H CYS A 28 -5.783 -8.428 -10.157 1.00 1.23 H new ATOM 0 HA CYS A 28 -6.251 -7.452 -12.873 1.00 2.15 H new ATOM 0 HB2 CYS A 28 -3.951 -6.655 -12.218 1.00 3.12 H new ATOM 0 HB3 CYS A 28 -3.486 -8.340 -12.099 1.00 3.12 H new ATOM 393 N CYS A 29 -6.695 -9.820 -13.381 1.00 72.42 N ATOM 394 CA CYS A 29 -7.045 -11.201 -13.667 1.00 44.23 C ATOM 395 C CYS A 29 -7.691 -11.802 -12.418 1.00 15.03 C ATOM 396 O CYS A 29 -7.244 -12.832 -11.916 1.00 52.42 O ATOM 397 CB CYS A 29 -5.828 -12.009 -14.125 1.00 34.22 C ATOM 398 SG CYS A 29 -4.879 -11.257 -15.496 1.00 2.14 S ATOM 0 H CYS A 29 -7.125 -9.134 -14.001 1.00 72.42 H new ATOM 0 HA CYS A 29 -7.755 -11.235 -14.494 1.00 44.23 H new ATOM 0 HB2 CYS A 29 -5.161 -12.149 -13.274 1.00 34.22 H new ATOM 0 HB3 CYS A 29 -6.162 -12.999 -14.434 1.00 34.22 H new ATOM 403 N GLY A 30 -8.736 -11.132 -11.952 1.00 3.14 N ATOM 404 CA GLY A 30 -9.449 -11.587 -10.770 1.00 32.32 C ATOM 405 C GLY A 30 -8.476 -11.933 -9.641 1.00 31.21 C ATOM 406 O GLY A 30 -8.815 -12.696 -8.737 1.00 22.03 O ATOM 0 H GLY A 30 -9.105 -10.279 -12.371 1.00 3.14 H new ATOM 0 HA2 GLY A 30 -10.138 -10.811 -10.436 1.00 32.32 H new ATOM 0 HA3 GLY A 30 -10.050 -12.462 -11.018 1.00 32.32 H new ATOM 410 N GLU A 31 -7.286 -11.357 -9.731 1.00 13.12 N ATOM 411 CA GLU A 31 -6.262 -11.594 -8.728 1.00 60.41 C ATOM 412 C GLU A 31 -5.820 -10.273 -8.096 1.00 52.44 C ATOM 413 O GLU A 31 -6.094 -9.202 -8.636 1.00 2.43 O ATOM 414 CB GLU A 31 -5.070 -12.341 -9.329 1.00 24.41 C ATOM 415 CG GLU A 31 -3.908 -12.409 -8.336 1.00 22.00 C ATOM 416 CD GLU A 31 -2.764 -13.262 -8.887 1.00 44.15 C ATOM 417 OE1 GLU A 31 -2.989 -14.409 -9.301 1.00 62.03 O ATOM 418 OE2 GLU A 31 -1.606 -12.692 -8.879 1.00 32.32 O ATOM 0 H GLU A 31 -7.008 -10.727 -10.483 1.00 13.12 H new ATOM 0 HA GLU A 31 -6.686 -12.223 -7.945 1.00 60.41 H new ATOM 0 HB2 GLU A 31 -5.373 -13.350 -9.610 1.00 24.41 H new ATOM 0 HB3 GLU A 31 -4.745 -11.840 -10.241 1.00 24.41 H new ATOM 0 HG2 GLU A 31 -3.547 -11.403 -8.125 1.00 22.00 H new ATOM 0 HG3 GLU A 31 -4.256 -12.828 -7.392 1.00 22.00 H new ATOM 425 N ASP A 32 -5.144 -10.392 -6.963 1.00 73.23 N ATOM 426 CA ASP A 32 -4.662 -9.220 -6.254 1.00 3.34 C ATOM 427 C ASP A 32 -3.188 -8.991 -6.598 1.00 13.45 C ATOM 428 O ASP A 32 -2.308 -9.635 -6.030 1.00 1.14 O ATOM 429 CB ASP A 32 -4.769 -9.411 -4.739 1.00 2.42 C ATOM 430 CG ASP A 32 -5.760 -8.478 -4.038 1.00 62.54 C ATOM 431 OD1 ASP A 32 -6.939 -8.446 -4.560 1.00 33.14 O ATOM 432 OD2 ASP A 32 -5.422 -7.818 -3.046 1.00 13.05 O ATOM 0 H ASP A 32 -4.919 -11.282 -6.519 1.00 73.23 H new ATOM 0 HA ASP A 32 -5.273 -8.369 -6.555 1.00 3.34 H new ATOM 0 HB2 ASP A 32 -5.059 -10.442 -4.537 1.00 2.42 H new ATOM 0 HB3 ASP A 32 -3.782 -9.266 -4.299 1.00 2.42 H new ATOM 437 N MET A 33 -2.967 -8.072 -7.526 1.00 22.12 N ATOM 438 CA MET A 33 -1.616 -7.750 -7.952 1.00 23.04 C ATOM 439 C MET A 33 -0.628 -7.880 -6.791 1.00 12.14 C ATOM 440 O MET A 33 -0.961 -7.561 -5.649 1.00 61.15 O ATOM 441 CB MET A 33 -1.579 -6.320 -8.497 1.00 24.14 C ATOM 442 CG MET A 33 -1.877 -6.298 -9.997 1.00 70.11 C ATOM 443 SD MET A 33 -1.208 -4.814 -10.730 1.00 12.54 S ATOM 444 CE MET A 33 0.471 -5.343 -11.024 1.00 32.12 C ATOM 0 H MET A 33 -3.701 -7.540 -7.995 1.00 22.12 H new ATOM 0 HA MET A 33 -1.325 -8.453 -8.732 1.00 23.04 H new ATOM 0 HB2 MET A 33 -2.309 -5.706 -7.968 1.00 24.14 H new ATOM 0 HB3 MET A 33 -0.599 -5.881 -8.311 1.00 24.14 H new ATOM 0 HG2 MET A 33 -1.444 -7.177 -10.475 1.00 70.11 H new ATOM 0 HG3 MET A 33 -2.953 -6.342 -10.163 1.00 70.11 H new ATOM 0 HE1 MET A 33 1.152 -4.512 -10.841 1.00 32.12 H new ATOM 0 HE2 MET A 33 0.716 -6.166 -10.353 1.00 32.12 H new ATOM 0 HE3 MET A 33 0.572 -5.675 -12.057 1.00 32.12 H new ATOM 454 N VAL A 34 0.567 -8.347 -7.120 1.00 61.32 N ATOM 455 CA VAL A 34 1.605 -8.523 -6.118 1.00 74.25 C ATOM 456 C VAL A 34 2.520 -7.297 -6.118 1.00 72.43 C ATOM 457 O VAL A 34 2.546 -6.537 -7.086 1.00 34.50 O ATOM 458 CB VAL A 34 2.358 -9.831 -6.369 1.00 75.43 C ATOM 459 CG1 VAL A 34 3.212 -10.212 -5.158 1.00 62.13 C ATOM 460 CG2 VAL A 34 1.390 -10.959 -6.734 1.00 62.33 C ATOM 0 H VAL A 34 0.840 -8.609 -8.067 1.00 61.32 H new ATOM 0 HA VAL A 34 1.167 -8.602 -5.123 1.00 74.25 H new ATOM 0 HB VAL A 34 3.027 -9.676 -7.216 1.00 75.43 H new ATOM 0 HG11 VAL A 34 3.737 -11.145 -5.362 1.00 62.13 H new ATOM 0 HG12 VAL A 34 3.938 -9.423 -4.962 1.00 62.13 H new ATOM 0 HG13 VAL A 34 2.570 -10.340 -4.286 1.00 62.13 H new ATOM 0 HG21 VAL A 34 1.951 -11.878 -6.907 1.00 62.33 H new ATOM 0 HG22 VAL A 34 0.685 -11.113 -5.917 1.00 62.33 H new ATOM 0 HG23 VAL A 34 0.844 -10.691 -7.638 1.00 62.33 H new ATOM 470 N LYS A 35 3.248 -7.143 -5.023 1.00 5.50 N ATOM 471 CA LYS A 35 4.163 -6.022 -4.884 1.00 52.32 C ATOM 472 C LYS A 35 5.603 -6.530 -4.973 1.00 14.20 C ATOM 473 O LYS A 35 5.948 -7.539 -4.360 1.00 75.32 O ATOM 474 CB LYS A 35 3.864 -5.241 -3.602 1.00 21.21 C ATOM 475 CG LYS A 35 4.973 -4.230 -3.305 1.00 21.44 C ATOM 476 CD LYS A 35 6.047 -4.844 -2.403 1.00 54.54 C ATOM 477 CE LYS A 35 7.307 -3.978 -2.385 1.00 43.41 C ATOM 478 NZ LYS A 35 7.518 -3.396 -1.042 1.00 15.44 N ATOM 0 H LYS A 35 3.224 -7.775 -4.223 1.00 5.50 H new ATOM 0 HA LYS A 35 4.024 -5.314 -5.701 1.00 52.32 H new ATOM 0 HB2 LYS A 35 2.911 -4.722 -3.702 1.00 21.21 H new ATOM 0 HB3 LYS A 35 3.764 -5.933 -2.766 1.00 21.21 H new ATOM 0 HG2 LYS A 35 5.425 -3.895 -4.239 1.00 21.44 H new ATOM 0 HG3 LYS A 35 4.548 -3.349 -2.823 1.00 21.44 H new ATOM 0 HD2 LYS A 35 5.659 -4.950 -1.390 1.00 54.54 H new ATOM 0 HD3 LYS A 35 6.294 -5.845 -2.756 1.00 54.54 H new ATOM 0 HE2 LYS A 35 8.172 -4.578 -2.667 1.00 43.41 H new ATOM 0 HE3 LYS A 35 7.218 -3.181 -3.123 1.00 43.41 H new ATOM 0 HZ1 LYS A 35 8.378 -2.811 -1.048 1.00 15.44 H new ATOM 0 HZ2 LYS A 35 6.700 -2.807 -0.787 1.00 15.44 H new ATOM 0 HZ3 LYS A 35 7.625 -4.161 -0.345 1.00 15.44 H new ATOM 491 N GLN A 36 6.406 -5.807 -5.741 1.00 32.24 N ATOM 492 CA GLN A 36 7.801 -6.172 -5.917 1.00 51.12 C ATOM 493 C GLN A 36 8.606 -5.815 -4.666 1.00 61.54 C ATOM 494 O GLN A 36 9.800 -6.098 -4.591 1.00 12.55 O ATOM 495 CB GLN A 36 8.390 -5.500 -7.158 1.00 43.42 C ATOM 496 CG GLN A 36 7.399 -5.535 -8.324 1.00 42.25 C ATOM 497 CD GLN A 36 7.349 -6.926 -8.960 1.00 24.20 C ATOM 498 OE1 GLN A 36 8.212 -7.317 -9.729 1.00 1.42 O ATOM 499 NE2 GLN A 36 6.294 -7.649 -8.596 1.00 52.30 N ATOM 0 H GLN A 36 6.117 -4.971 -6.248 1.00 32.24 H new ATOM 0 HA GLN A 36 7.858 -7.250 -6.066 1.00 51.12 H new ATOM 0 HB2 GLN A 36 8.649 -4.467 -6.928 1.00 43.42 H new ATOM 0 HB3 GLN A 36 9.313 -6.004 -7.445 1.00 43.42 H new ATOM 0 HG2 GLN A 36 6.406 -5.257 -7.970 1.00 42.25 H new ATOM 0 HG3 GLN A 36 7.688 -4.799 -9.074 1.00 42.25 H new ATOM 0 HE21 GLN A 36 5.609 -7.261 -7.948 1.00 52.30 H new ATOM 0 HE22 GLN A 36 6.170 -8.592 -8.965 1.00 52.30 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -1.769 -2.368 -22.576 1.00 73.24 N ATOM 510 CA ALA B 1 -2.437 -1.105 -22.835 1.00 52.31 C ATOM 511 C ALA B 1 -1.399 -0.055 -23.235 1.00 25.31 C ATOM 512 O ALA B 1 -1.542 1.122 -22.908 1.00 42.21 O ATOM 513 CB ALA B 1 -3.240 -0.689 -21.601 1.00 15.13 C ATOM 0 H1 ALA B 1 -2.431 -3.022 -22.113 1.00 73.24 H new ATOM 0 H2 ALA B 1 -1.446 -2.781 -23.474 1.00 73.24 H new ATOM 0 H3 ALA B 1 -0.950 -2.207 -21.955 1.00 73.24 H new ATOM 0 HA ALA B 1 -3.139 -1.206 -23.663 1.00 52.31 H new ATOM 0 HB1 ALA B 1 -3.741 0.259 -21.796 1.00 15.13 H new ATOM 0 HB2 ALA B 1 -3.984 -1.453 -21.376 1.00 15.13 H new ATOM 0 HB3 ALA B 1 -2.568 -0.576 -20.751 1.00 15.13 H new ATOM 519 N ASN B 2 -0.375 -0.519 -23.936 1.00 24.12 N ATOM 520 CA ASN B 2 0.689 0.364 -24.383 1.00 13.12 C ATOM 521 C ASN B 2 1.498 0.836 -23.173 1.00 74.23 C ATOM 522 O ASN B 2 0.979 1.545 -22.313 1.00 73.03 O ATOM 523 CB ASN B 2 0.120 1.601 -25.082 1.00 33.22 C ATOM 524 CG ASN B 2 0.701 1.753 -26.488 1.00 43.32 C ATOM 525 OD1 ASN B 2 1.376 0.879 -27.007 1.00 24.24 O ATOM 526 ND2 ASN B 2 0.402 2.908 -27.075 1.00 5.42 N ATOM 0 H ASN B 2 -0.259 -1.496 -24.206 1.00 24.12 H new ATOM 0 HA ASN B 2 1.315 -0.190 -25.082 1.00 13.12 H new ATOM 0 HB2 ASN B 2 -0.966 1.523 -25.140 1.00 33.22 H new ATOM 0 HB3 ASN B 2 0.345 2.491 -24.494 1.00 33.22 H new ATOM 0 HD21 ASN B 2 0.743 3.105 -28.016 1.00 5.42 H new ATOM 0 HD22 ASN B 2 -0.168 3.597 -26.584 1.00 5.42 H new ATOM 533 N GLU B 3 2.757 0.422 -23.145 1.00 75.53 N ATOM 534 CA GLU B 3 3.643 0.792 -22.055 1.00 54.12 C ATOM 535 C GLU B 3 3.788 2.313 -21.984 1.00 13.15 C ATOM 536 O GLU B 3 3.518 3.013 -22.959 1.00 31.24 O ATOM 537 CB GLU B 3 5.007 0.117 -22.204 1.00 61.21 C ATOM 538 CG GLU B 3 5.875 0.358 -20.967 1.00 23.21 C ATOM 539 CD GLU B 3 7.209 -0.384 -21.082 1.00 13.35 C ATOM 540 OE1 GLU B 3 7.231 -1.568 -21.447 1.00 10.12 O ATOM 541 OE2 GLU B 3 8.249 0.316 -20.775 1.00 63.43 O ATOM 0 H GLU B 3 3.184 -0.166 -23.860 1.00 75.53 H new ATOM 0 HA GLU B 3 3.203 0.444 -21.120 1.00 54.12 H new ATOM 0 HB2 GLU B 3 4.872 -0.954 -22.355 1.00 61.21 H new ATOM 0 HB3 GLU B 3 5.513 0.503 -23.089 1.00 61.21 H new ATOM 0 HG2 GLU B 3 6.058 1.426 -20.849 1.00 23.21 H new ATOM 0 HG3 GLU B 3 5.345 0.024 -20.075 1.00 23.21 H new ATOM 548 N GLY B 4 4.214 2.781 -20.819 1.00 55.31 N ATOM 549 CA GLY B 4 4.399 4.207 -20.607 1.00 73.24 C ATOM 550 C GLY B 4 3.056 4.907 -20.390 1.00 21.00 C ATOM 551 O GLY B 4 2.990 6.135 -20.360 1.00 44.41 O ATOM 0 H GLY B 4 4.436 2.198 -20.012 1.00 55.31 H new ATOM 0 HA2 GLY B 4 5.042 4.369 -19.742 1.00 73.24 H new ATOM 0 HA3 GLY B 4 4.906 4.644 -21.467 1.00 73.24 H new ATOM 555 N ASP B 5 2.018 4.096 -20.244 1.00 2.23 N ATOM 556 CA ASP B 5 0.681 4.622 -20.031 1.00 10.43 C ATOM 557 C ASP B 5 0.437 4.790 -18.529 1.00 72.13 C ATOM 558 O ASP B 5 1.100 4.150 -17.714 1.00 22.20 O ATOM 559 CB ASP B 5 -0.381 3.667 -20.579 1.00 12.14 C ATOM 560 CG ASP B 5 -1.020 4.100 -21.899 1.00 13.01 C ATOM 561 OD1 ASP B 5 -1.668 5.215 -21.852 1.00 34.34 O ATOM 562 OD2 ASP B 5 -0.906 3.408 -22.922 1.00 4.34 O ATOM 0 H ASP B 5 2.077 3.078 -20.269 1.00 2.23 H new ATOM 0 HA ASP B 5 0.608 5.578 -20.550 1.00 10.43 H new ATOM 0 HB2 ASP B 5 0.071 2.685 -20.717 1.00 12.14 H new ATOM 0 HB3 ASP B 5 -1.167 3.554 -19.832 1.00 12.14 H new ATOM 567 N VAL B 6 -0.516 5.653 -18.210 1.00 2.24 N ATOM 568 CA VAL B 6 -0.855 5.913 -16.820 1.00 51.03 C ATOM 569 C VAL B 6 -2.352 5.676 -16.613 1.00 72.53 C ATOM 570 O VAL B 6 -3.168 6.069 -17.445 1.00 64.03 O ATOM 571 CB VAL B 6 -0.414 7.324 -16.429 1.00 52.13 C ATOM 572 CG1 VAL B 6 -1.314 7.895 -15.332 1.00 12.51 C ATOM 573 CG2 VAL B 6 1.054 7.341 -15.998 1.00 13.04 C ATOM 0 H VAL B 6 -1.064 6.181 -18.889 1.00 2.24 H new ATOM 0 HA VAL B 6 -0.322 5.227 -16.162 1.00 51.03 H new ATOM 0 HB VAL B 6 -0.512 7.961 -17.308 1.00 52.13 H new ATOM 0 HG11 VAL B 6 -0.979 8.899 -15.072 1.00 12.51 H new ATOM 0 HG12 VAL B 6 -2.343 7.937 -15.690 1.00 12.51 H new ATOM 0 HG13 VAL B 6 -1.263 7.256 -14.450 1.00 12.51 H new ATOM 0 HG21 VAL B 6 1.341 8.356 -15.725 1.00 13.04 H new ATOM 0 HG22 VAL B 6 1.189 6.683 -15.140 1.00 13.04 H new ATOM 0 HG23 VAL B 6 1.679 6.996 -16.822 1.00 13.04 H new ATOM 583 N TYR B 7 -2.668 5.032 -15.499 1.00 73.11 N ATOM 584 CA TYR B 7 -4.052 4.737 -15.172 1.00 34.04 C ATOM 585 C TYR B 7 -4.386 5.181 -13.746 1.00 41.43 C ATOM 586 O TYR B 7 -3.701 4.802 -12.798 1.00 15.21 O ATOM 587 CB TYR B 7 -4.193 3.216 -15.265 1.00 11.24 C ATOM 588 CG TYR B 7 -4.656 2.717 -16.636 1.00 5.24 C ATOM 589 CD1 TYR B 7 -3.846 2.884 -17.740 1.00 2.32 C ATOM 590 CD2 TYR B 7 -5.883 2.100 -16.766 1.00 74.44 C ATOM 591 CE1 TYR B 7 -4.280 2.414 -19.030 1.00 31.34 C ATOM 592 CE2 TYR B 7 -6.318 1.630 -18.056 1.00 20.33 C ATOM 593 CZ TYR B 7 -5.495 1.810 -19.124 1.00 21.13 C ATOM 594 OH TYR B 7 -5.907 1.366 -20.342 1.00 44.21 O ATOM 0 H TYR B 7 -1.989 4.706 -14.811 1.00 73.11 H new ATOM 0 HA TYR B 7 -4.726 5.262 -15.849 1.00 34.04 H new ATOM 0 HB2 TYR B 7 -3.233 2.757 -15.028 1.00 11.24 H new ATOM 0 HB3 TYR B 7 -4.902 2.880 -14.509 1.00 11.24 H new ATOM 0 HD1 TYR B 7 -2.886 3.368 -17.637 1.00 2.32 H new ATOM 0 HD2 TYR B 7 -6.517 1.970 -15.901 1.00 74.44 H new ATOM 0 HE1 TYR B 7 -3.655 2.538 -19.902 1.00 31.34 H new ATOM 0 HE2 TYR B 7 -7.276 1.146 -18.173 1.00 20.33 H new ATOM 0 HH TYR B 7 -6.793 0.955 -20.258 1.00 44.21 H new ATOM 604 N LYS B 8 -5.437 5.981 -13.641 1.00 12.14 N ATOM 605 CA LYS B 8 -5.870 6.482 -12.347 1.00 23.55 C ATOM 606 C LYS B 8 -7.336 6.106 -12.123 1.00 43.55 C ATOM 607 O LYS B 8 -8.039 5.750 -13.067 1.00 55.42 O ATOM 608 CB LYS B 8 -5.595 7.982 -12.234 1.00 40.41 C ATOM 609 CG LYS B 8 -6.537 8.638 -11.222 1.00 71.32 C ATOM 610 CD LYS B 8 -6.338 10.155 -11.190 1.00 71.14 C ATOM 611 CE LYS B 8 -7.276 10.809 -10.174 1.00 12.50 C ATOM 612 NZ LYS B 8 -6.690 12.070 -9.665 1.00 31.34 N ATOM 0 H LYS B 8 -6.001 6.295 -14.431 1.00 12.14 H new ATOM 0 HA LYS B 8 -5.296 6.015 -11.547 1.00 23.55 H new ATOM 0 HB2 LYS B 8 -4.561 8.144 -11.931 1.00 40.41 H new ATOM 0 HB3 LYS B 8 -5.719 8.452 -13.209 1.00 40.41 H new ATOM 0 HG2 LYS B 8 -7.571 8.409 -11.481 1.00 71.32 H new ATOM 0 HG3 LYS B 8 -6.357 8.223 -10.230 1.00 71.32 H new ATOM 0 HD2 LYS B 8 -5.303 10.384 -10.935 1.00 71.14 H new ATOM 0 HD3 LYS B 8 -6.522 10.571 -12.181 1.00 71.14 H new ATOM 0 HE2 LYS B 8 -8.241 11.011 -10.639 1.00 12.50 H new ATOM 0 HE3 LYS B 8 -7.458 10.125 -9.345 1.00 12.50 H new ATOM 0 HZ1 LYS B 8 -7.339 12.501 -8.976 1.00 31.34 H new ATOM 0 HZ2 LYS B 8 -5.780 11.869 -9.204 1.00 31.34 H new ATOM 0 HZ3 LYS B 8 -6.539 12.727 -10.457 1.00 31.34 H new ATOM 625 N CYS B 9 -7.753 6.199 -10.869 1.00 11.31 N ATOM 626 CA CYS B 9 -9.123 5.874 -10.510 1.00 50.02 C ATOM 627 C CYS B 9 -9.869 7.181 -10.233 1.00 35.33 C ATOM 628 O CYS B 9 -9.254 8.237 -10.105 1.00 64.23 O ATOM 629 CB CYS B 9 -9.183 4.918 -9.318 1.00 34.43 C ATOM 630 SG CYS B 9 -10.844 4.224 -8.973 1.00 43.10 S ATOM 0 H CYS B 9 -7.166 6.495 -10.089 1.00 11.31 H new ATOM 0 HA CYS B 9 -9.605 5.350 -11.336 1.00 50.02 H new ATOM 0 HB2 CYS B 9 -8.490 4.095 -9.495 1.00 34.43 H new ATOM 0 HB3 CYS B 9 -8.833 5.444 -8.430 1.00 34.43 H new ATOM 635 N GLU B 10 -11.187 7.065 -10.147 1.00 63.14 N ATOM 636 CA GLU B 10 -12.024 8.224 -9.887 1.00 13.03 C ATOM 637 C GLU B 10 -12.599 8.155 -8.471 1.00 1.32 C ATOM 638 O GLU B 10 -13.084 9.157 -7.945 1.00 41.33 O ATOM 639 CB GLU B 10 -13.141 8.338 -10.927 1.00 72.34 C ATOM 640 CG GLU B 10 -12.565 8.434 -12.342 1.00 50.20 C ATOM 641 CD GLU B 10 -12.065 9.850 -12.635 1.00 3.31 C ATOM 642 OE1 GLU B 10 -12.867 10.734 -12.971 1.00 23.23 O ATOM 643 OE2 GLU B 10 -10.793 10.017 -12.503 1.00 43.22 O ATOM 0 H GLU B 10 -11.695 6.187 -10.253 1.00 63.14 H new ATOM 0 HA GLU B 10 -11.407 9.119 -9.965 1.00 13.03 H new ATOM 0 HB2 GLU B 10 -13.799 7.472 -10.856 1.00 72.34 H new ATOM 0 HB3 GLU B 10 -13.749 9.218 -10.718 1.00 72.34 H new ATOM 0 HG2 GLU B 10 -11.745 7.725 -12.454 1.00 50.20 H new ATOM 0 HG3 GLU B 10 -13.328 8.156 -13.069 1.00 50.20 H new ATOM 650 N LEU B 11 -12.527 6.965 -7.894 1.00 3.43 N ATOM 651 CA LEU B 11 -13.034 6.754 -6.548 1.00 10.40 C ATOM 652 C LEU B 11 -11.875 6.834 -5.553 1.00 45.21 C ATOM 653 O LEU B 11 -11.712 7.840 -4.864 1.00 51.11 O ATOM 654 CB LEU B 11 -13.821 5.444 -6.472 1.00 41.31 C ATOM 655 CG LEU B 11 -14.695 5.116 -7.684 1.00 61.41 C ATOM 656 CD1 LEU B 11 -15.476 3.819 -7.462 1.00 24.12 C ATOM 657 CD2 LEU B 11 -15.617 6.287 -8.029 1.00 13.30 C ATOM 0 H LEU B 11 -12.125 6.137 -8.333 1.00 3.43 H new ATOM 0 HA LEU B 11 -13.740 7.540 -6.279 1.00 10.40 H new ATOM 0 HB2 LEU B 11 -13.115 4.627 -6.326 1.00 41.31 H new ATOM 0 HB3 LEU B 11 -14.458 5.476 -5.588 1.00 41.31 H new ATOM 0 HG LEU B 11 -14.042 4.957 -8.542 1.00 61.41 H new ATOM 0 HD11 LEU B 11 -16.089 3.609 -8.338 1.00 24.12 H new ATOM 0 HD12 LEU B 11 -14.778 2.997 -7.302 1.00 24.12 H new ATOM 0 HD13 LEU B 11 -16.118 3.926 -6.587 1.00 24.12 H new ATOM 0 HD21 LEU B 11 -16.227 6.027 -8.894 1.00 13.30 H new ATOM 0 HD22 LEU B 11 -16.265 6.502 -7.179 1.00 13.30 H new ATOM 0 HD23 LEU B 11 -15.017 7.167 -8.260 1.00 13.30 H new ATOM 669 N CYS B 12 -11.099 5.760 -5.509 1.00 15.43 N ATOM 670 CA CYS B 12 -9.960 5.697 -4.609 1.00 42.10 C ATOM 671 C CYS B 12 -8.971 6.794 -5.008 1.00 31.42 C ATOM 672 O CYS B 12 -8.218 7.291 -4.171 1.00 33.54 O ATOM 673 CB CYS B 12 -9.310 4.311 -4.616 1.00 53.23 C ATOM 674 SG CYS B 12 -8.882 3.673 -6.277 1.00 14.30 S ATOM 0 H CYS B 12 -11.237 4.927 -6.082 1.00 15.43 H new ATOM 0 HA CYS B 12 -10.292 5.865 -3.585 1.00 42.10 H new ATOM 0 HB2 CYS B 12 -8.404 4.347 -4.011 1.00 53.23 H new ATOM 0 HB3 CYS B 12 -9.987 3.605 -4.134 1.00 53.23 H new ATOM 679 N GLY B 13 -9.002 7.138 -6.287 1.00 13.21 N ATOM 680 CA GLY B 13 -8.118 8.167 -6.807 1.00 25.42 C ATOM 681 C GLY B 13 -6.675 7.665 -6.878 1.00 23.33 C ATOM 682 O GLY B 13 -5.735 8.453 -6.800 1.00 5.22 O ATOM 0 H GLY B 13 -9.626 6.722 -6.979 1.00 13.21 H new ATOM 0 HA2 GLY B 13 -8.451 8.470 -7.800 1.00 25.42 H new ATOM 0 HA3 GLY B 13 -8.169 9.051 -6.171 1.00 25.42 H new ATOM 686 N GLN B 14 -6.544 6.354 -7.024 1.00 15.11 N ATOM 687 CA GLN B 14 -5.232 5.736 -7.107 1.00 11.12 C ATOM 688 C GLN B 14 -4.684 5.842 -8.531 1.00 1.25 C ATOM 689 O GLN B 14 -5.405 5.602 -9.497 1.00 60.52 O ATOM 690 CB GLN B 14 -5.282 4.278 -6.645 1.00 41.51 C ATOM 691 CG GLN B 14 -3.966 3.561 -6.954 1.00 75.52 C ATOM 692 CD GLN B 14 -4.223 2.144 -7.473 1.00 54.14 C ATOM 693 OE1 GLN B 14 -4.015 1.833 -8.634 1.00 4.23 O ATOM 694 NE2 GLN B 14 -4.688 1.306 -6.550 1.00 30.20 N ATOM 0 H GLN B 14 -7.326 5.703 -7.087 1.00 15.11 H new ATOM 0 HA GLN B 14 -4.557 6.271 -6.439 1.00 11.12 H new ATOM 0 HB2 GLN B 14 -5.479 4.239 -5.574 1.00 41.51 H new ATOM 0 HB3 GLN B 14 -6.106 3.764 -7.140 1.00 41.51 H new ATOM 0 HG2 GLN B 14 -3.404 4.128 -7.696 1.00 75.52 H new ATOM 0 HG3 GLN B 14 -3.352 3.517 -6.055 1.00 75.52 H new ATOM 0 HE21 GLN B 14 -4.840 1.632 -5.595 1.00 30.20 H new ATOM 0 HE22 GLN B 14 -4.893 0.338 -6.797 1.00 30.20 H new ATOM 703 N VAL B 15 -3.412 6.203 -8.615 1.00 65.03 N ATOM 704 CA VAL B 15 -2.758 6.344 -9.905 1.00 54.23 C ATOM 705 C VAL B 15 -1.602 5.347 -9.999 1.00 3.05 C ATOM 706 O VAL B 15 -0.859 5.161 -9.036 1.00 21.43 O ATOM 707 CB VAL B 15 -2.315 7.794 -10.113 1.00 1.33 C ATOM 708 CG1 VAL B 15 -1.766 8.003 -11.524 1.00 44.44 C ATOM 709 CG2 VAL B 15 -3.462 8.765 -9.821 1.00 32.31 C ATOM 0 H VAL B 15 -2.817 6.402 -7.811 1.00 65.03 H new ATOM 0 HA VAL B 15 -3.453 6.112 -10.712 1.00 54.23 H new ATOM 0 HB VAL B 15 -1.511 8.003 -9.407 1.00 1.33 H new ATOM 0 HG11 VAL B 15 -1.459 9.042 -11.645 1.00 44.44 H new ATOM 0 HG12 VAL B 15 -0.907 7.350 -11.681 1.00 44.44 H new ATOM 0 HG13 VAL B 15 -2.540 7.766 -12.254 1.00 44.44 H new ATOM 0 HG21 VAL B 15 -3.121 9.788 -9.976 1.00 32.31 H new ATOM 0 HG22 VAL B 15 -4.296 8.555 -10.491 1.00 32.31 H new ATOM 0 HG23 VAL B 15 -3.787 8.644 -8.788 1.00 32.31 H new ATOM 719 N VAL B 16 -1.485 4.732 -11.166 1.00 73.14 N ATOM 720 CA VAL B 16 -0.431 3.758 -11.397 1.00 53.23 C ATOM 721 C VAL B 16 0.044 3.862 -12.848 1.00 53.32 C ATOM 722 O VAL B 16 -0.645 4.434 -13.692 1.00 15.25 O ATOM 723 CB VAL B 16 -0.923 2.357 -11.027 1.00 40.43 C ATOM 724 CG1 VAL B 16 -1.121 2.227 -9.516 1.00 44.21 C ATOM 725 CG2 VAL B 16 -2.208 2.011 -11.781 1.00 52.23 C ATOM 0 H VAL B 16 -2.103 4.889 -11.962 1.00 73.14 H new ATOM 0 HA VAL B 16 0.428 3.965 -10.758 1.00 53.23 H new ATOM 0 HB VAL B 16 -0.156 1.642 -11.326 1.00 40.43 H new ATOM 0 HG11 VAL B 16 -1.471 1.222 -9.280 1.00 44.21 H new ATOM 0 HG12 VAL B 16 -0.174 2.410 -9.008 1.00 44.21 H new ATOM 0 HG13 VAL B 16 -1.859 2.956 -9.182 1.00 44.21 H new ATOM 0 HG21 VAL B 16 -2.536 1.010 -11.500 1.00 52.23 H new ATOM 0 HG22 VAL B 16 -2.984 2.733 -11.527 1.00 52.23 H new ATOM 0 HG23 VAL B 16 -2.020 2.043 -12.854 1.00 52.23 H new ATOM 735 N LYS B 17 1.218 3.299 -13.094 1.00 51.44 N ATOM 736 CA LYS B 17 1.793 3.321 -14.429 1.00 13.13 C ATOM 737 C LYS B 17 1.733 1.914 -15.028 1.00 2.24 C ATOM 738 O LYS B 17 1.617 0.930 -14.299 1.00 42.34 O ATOM 739 CB LYS B 17 3.201 3.917 -14.395 1.00 63.41 C ATOM 740 CG LYS B 17 3.623 4.406 -15.783 1.00 23.22 C ATOM 741 CD LYS B 17 5.116 4.739 -15.815 1.00 51.15 C ATOM 742 CE LYS B 17 5.337 6.232 -16.067 1.00 45.32 C ATOM 743 NZ LYS B 17 6.689 6.638 -15.618 1.00 62.15 N ATOM 0 H LYS B 17 1.787 2.825 -12.392 1.00 51.44 H new ATOM 0 HA LYS B 17 1.213 3.971 -15.084 1.00 13.13 H new ATOM 0 HB2 LYS B 17 3.232 4.746 -13.688 1.00 63.41 H new ATOM 0 HB3 LYS B 17 3.908 3.168 -14.039 1.00 63.41 H new ATOM 0 HG2 LYS B 17 3.401 3.640 -16.526 1.00 23.22 H new ATOM 0 HG3 LYS B 17 3.044 5.289 -16.053 1.00 23.22 H new ATOM 0 HD2 LYS B 17 5.577 4.454 -14.869 1.00 51.15 H new ATOM 0 HD3 LYS B 17 5.606 4.158 -16.596 1.00 51.15 H new ATOM 0 HE2 LYS B 17 5.219 6.449 -17.129 1.00 45.32 H new ATOM 0 HE3 LYS B 17 4.582 6.812 -15.537 1.00 45.32 H new ATOM 0 HZ1 LYS B 17 6.823 7.654 -15.796 1.00 62.15 H new ATOM 0 HZ2 LYS B 17 6.788 6.449 -14.600 1.00 62.15 H new ATOM 0 HZ3 LYS B 17 7.406 6.097 -16.142 1.00 62.15 H new ATOM 756 N VAL B 18 1.815 1.865 -16.349 1.00 12.30 N ATOM 757 CA VAL B 18 1.771 0.596 -17.055 1.00 21.53 C ATOM 758 C VAL B 18 3.163 0.273 -17.602 1.00 2.13 C ATOM 759 O VAL B 18 3.466 0.576 -18.755 1.00 62.21 O ATOM 760 CB VAL B 18 0.696 0.638 -18.143 1.00 23.42 C ATOM 761 CG1 VAL B 18 0.784 -0.593 -19.048 1.00 21.12 C ATOM 762 CG2 VAL B 18 -0.699 0.769 -17.530 1.00 10.34 C ATOM 0 H VAL B 18 1.912 2.684 -16.949 1.00 12.30 H new ATOM 0 HA VAL B 18 1.494 -0.209 -16.375 1.00 21.53 H new ATOM 0 HB VAL B 18 0.876 1.520 -18.758 1.00 23.42 H new ATOM 0 HG11 VAL B 18 0.009 -0.539 -19.813 1.00 21.12 H new ATOM 0 HG12 VAL B 18 1.763 -0.624 -19.525 1.00 21.12 H new ATOM 0 HG13 VAL B 18 0.642 -1.494 -18.451 1.00 21.12 H new ATOM 0 HG21 VAL B 18 -1.445 0.797 -18.325 1.00 10.34 H new ATOM 0 HG22 VAL B 18 -0.893 -0.085 -16.880 1.00 10.34 H new ATOM 0 HG23 VAL B 18 -0.756 1.688 -16.947 1.00 10.34 H new ATOM 772 N LEU B 19 3.974 -0.336 -16.748 1.00 54.20 N ATOM 773 CA LEU B 19 5.326 -0.702 -17.132 1.00 24.13 C ATOM 774 C LEU B 19 5.271 -1.828 -18.166 1.00 45.13 C ATOM 775 O LEU B 19 6.034 -1.826 -19.131 1.00 52.13 O ATOM 776 CB LEU B 19 6.160 -1.044 -15.894 1.00 40.35 C ATOM 777 CG LEU B 19 7.496 -0.311 -15.763 1.00 3.21 C ATOM 778 CD1 LEU B 19 7.621 0.362 -14.395 1.00 41.21 C ATOM 779 CD2 LEU B 19 8.668 -1.253 -16.047 1.00 2.31 C ATOM 0 H LEU B 19 3.720 -0.585 -15.792 1.00 54.20 H new ATOM 0 HA LEU B 19 5.829 0.141 -17.605 1.00 24.13 H new ATOM 0 HB2 LEU B 19 5.563 -0.831 -15.008 1.00 40.35 H new ATOM 0 HB3 LEU B 19 6.355 -2.116 -15.897 1.00 40.35 H new ATOM 0 HG LEU B 19 7.527 0.478 -16.514 1.00 3.21 H new ATOM 0 HD11 LEU B 19 8.580 0.876 -14.329 1.00 41.21 H new ATOM 0 HD12 LEU B 19 6.813 1.083 -14.269 1.00 41.21 H new ATOM 0 HD13 LEU B 19 7.559 -0.393 -13.611 1.00 41.21 H new ATOM 0 HD21 LEU B 19 9.606 -0.707 -15.947 1.00 2.31 H new ATOM 0 HD22 LEU B 19 8.651 -2.079 -15.336 1.00 2.31 H new ATOM 0 HD23 LEU B 19 8.582 -1.645 -17.060 1.00 2.31 H new ATOM 791 N GLU B 20 4.362 -2.762 -17.929 1.00 4.40 N ATOM 792 CA GLU B 20 4.199 -3.892 -18.829 1.00 14.42 C ATOM 793 C GLU B 20 2.715 -4.224 -18.998 1.00 55.12 C ATOM 794 O GLU B 20 2.059 -4.655 -18.051 1.00 1.42 O ATOM 795 CB GLU B 20 4.979 -5.109 -18.329 1.00 22.04 C ATOM 796 CG GLU B 20 4.477 -6.392 -18.993 1.00 61.32 C ATOM 797 CD GLU B 20 4.886 -6.442 -20.466 1.00 63.33 C ATOM 798 OE1 GLU B 20 6.035 -6.983 -20.696 1.00 71.34 O ATOM 799 OE2 GLU B 20 4.131 -5.982 -21.336 1.00 11.21 O ATOM 0 H GLU B 20 3.731 -2.760 -17.128 1.00 4.40 H new ATOM 0 HA GLU B 20 4.604 -3.618 -19.803 1.00 14.42 H new ATOM 0 HB2 GLU B 20 6.040 -4.977 -18.540 1.00 22.04 H new ATOM 0 HB3 GLU B 20 4.877 -5.191 -17.247 1.00 22.04 H new ATOM 0 HG2 GLU B 20 4.881 -7.259 -18.470 1.00 61.32 H new ATOM 0 HG3 GLU B 20 3.392 -6.448 -18.911 1.00 61.32 H new ATOM 806 N GLU B 21 2.228 -4.010 -20.212 1.00 45.12 N ATOM 807 CA GLU B 21 0.834 -4.281 -20.518 1.00 73.01 C ATOM 808 C GLU B 21 0.427 -5.651 -19.970 1.00 42.10 C ATOM 809 O GLU B 21 1.266 -6.539 -19.824 1.00 53.44 O ATOM 810 CB GLU B 21 0.576 -4.194 -22.023 1.00 72.24 C ATOM 811 CG GLU B 21 1.292 -5.322 -22.769 1.00 70.42 C ATOM 812 CD GLU B 21 1.211 -5.117 -24.283 1.00 4.30 C ATOM 813 OE1 GLU B 21 2.007 -4.217 -24.754 1.00 74.21 O ATOM 814 OE2 GLU B 21 0.421 -5.791 -24.959 1.00 54.02 O ATOM 0 H GLU B 21 2.775 -3.652 -20.995 1.00 45.12 H new ATOM 0 HA GLU B 21 0.221 -3.521 -20.033 1.00 73.01 H new ATOM 0 HB2 GLU B 21 -0.495 -4.249 -22.216 1.00 72.24 H new ATOM 0 HB3 GLU B 21 0.918 -3.230 -22.399 1.00 72.24 H new ATOM 0 HG2 GLU B 21 2.336 -5.362 -22.459 1.00 70.42 H new ATOM 0 HG3 GLU B 21 0.844 -6.280 -22.504 1.00 70.42 H new ATOM 821 N GLY B 22 -0.860 -5.779 -19.683 1.00 70.33 N ATOM 822 CA GLY B 22 -1.388 -7.025 -19.155 1.00 22.14 C ATOM 823 C GLY B 22 -2.362 -7.671 -20.143 1.00 55.21 C ATOM 824 O GLY B 22 -2.208 -7.529 -21.355 1.00 0.04 O ATOM 0 H GLY B 22 -1.553 -5.040 -19.806 1.00 70.33 H new ATOM 0 HA2 GLY B 22 -0.568 -7.712 -18.946 1.00 22.14 H new ATOM 0 HA3 GLY B 22 -1.896 -6.837 -18.209 1.00 22.14 H new ATOM 828 N GLY B 23 -3.345 -8.365 -19.587 1.00 43.13 N ATOM 829 CA GLY B 23 -4.344 -9.032 -20.405 1.00 10.03 C ATOM 830 C GLY B 23 -5.757 -8.630 -19.978 1.00 71.33 C ATOM 831 O GLY B 23 -6.564 -8.210 -20.807 1.00 1.33 O ATOM 0 H GLY B 23 -3.471 -8.480 -18.581 1.00 43.13 H new ATOM 0 HA2 GLY B 23 -4.190 -8.777 -21.454 1.00 10.03 H new ATOM 0 HA3 GLY B 23 -4.228 -10.112 -20.319 1.00 10.03 H new ATOM 835 N GLY B 24 -6.015 -8.775 -18.687 1.00 1.31 N ATOM 836 CA GLY B 24 -7.317 -8.432 -18.141 1.00 34.24 C ATOM 837 C GLY B 24 -7.455 -6.919 -17.959 1.00 23.52 C ATOM 838 O GLY B 24 -7.064 -6.147 -18.833 1.00 21.53 O ATOM 0 H GLY B 24 -5.344 -9.125 -18.003 1.00 1.31 H new ATOM 0 HA2 GLY B 24 -8.101 -8.795 -18.806 1.00 34.24 H new ATOM 0 HA3 GLY B 24 -7.456 -8.931 -17.182 1.00 34.24 H new ATOM 842 N THR B 25 -8.012 -6.541 -16.817 1.00 31.32 N ATOM 843 CA THR B 25 -8.205 -5.135 -16.509 1.00 12.32 C ATOM 844 C THR B 25 -7.718 -4.828 -15.092 1.00 2.15 C ATOM 845 O THR B 25 -7.703 -5.707 -14.232 1.00 41.13 O ATOM 846 CB THR B 25 -9.683 -4.802 -16.729 1.00 20.04 C ATOM 847 OG1 THR B 25 -9.782 -4.571 -18.132 1.00 4.14 O ATOM 848 CG2 THR B 25 -10.081 -3.464 -16.102 1.00 1.30 C ATOM 0 H THR B 25 -8.335 -7.184 -16.095 1.00 31.32 H new ATOM 0 HA THR B 25 -7.612 -4.500 -17.167 1.00 12.32 H new ATOM 0 HB THR B 25 -10.300 -5.597 -16.311 1.00 20.04 H new ATOM 0 HG1 THR B 25 -10.709 -4.350 -18.363 1.00 4.14 H new ATOM 0 HG21 THR B 25 -11.139 -3.276 -16.287 1.00 1.30 H new ATOM 0 HG22 THR B 25 -9.901 -3.498 -15.028 1.00 1.30 H new ATOM 0 HG23 THR B 25 -9.487 -2.664 -16.544 1.00 1.30 H new ATOM 856 N LEU B 26 -7.331 -3.576 -14.892 1.00 54.43 N ATOM 857 CA LEU B 26 -6.844 -3.141 -13.594 1.00 25.12 C ATOM 858 C LEU B 26 -8.028 -2.699 -12.732 1.00 20.12 C ATOM 859 O LEU B 26 -8.441 -1.541 -12.786 1.00 35.51 O ATOM 860 CB LEU B 26 -5.767 -2.067 -13.758 1.00 12.54 C ATOM 861 CG LEU B 26 -4.667 -2.370 -14.776 1.00 64.15 C ATOM 862 CD1 LEU B 26 -3.910 -1.097 -15.161 1.00 31.21 C ATOM 863 CD2 LEU B 26 -3.728 -3.462 -14.261 1.00 5.32 C ATOM 0 H LEU B 26 -7.345 -2.849 -15.608 1.00 54.43 H new ATOM 0 HA LEU B 26 -6.360 -3.967 -13.072 1.00 25.12 H new ATOM 0 HB2 LEU B 26 -6.253 -1.134 -14.045 1.00 12.54 H new ATOM 0 HB3 LEU B 26 -5.300 -1.898 -12.788 1.00 12.54 H new ATOM 0 HG LEU B 26 -5.137 -2.752 -15.682 1.00 64.15 H new ATOM 0 HD11 LEU B 26 -3.133 -1.341 -15.886 1.00 31.21 H new ATOM 0 HD12 LEU B 26 -4.604 -0.380 -15.600 1.00 31.21 H new ATOM 0 HD13 LEU B 26 -3.453 -0.663 -14.272 1.00 31.21 H new ATOM 0 HD21 LEU B 26 -2.955 -3.658 -15.004 1.00 5.32 H new ATOM 0 HD22 LEU B 26 -3.263 -3.133 -13.332 1.00 5.32 H new ATOM 0 HD23 LEU B 26 -4.296 -4.374 -14.079 1.00 5.32 H new ATOM 875 N VAL B 27 -8.541 -3.644 -11.956 1.00 42.55 N ATOM 876 CA VAL B 27 -9.669 -3.366 -11.084 1.00 44.21 C ATOM 877 C VAL B 27 -9.168 -2.669 -9.817 1.00 22.23 C ATOM 878 O VAL B 27 -7.989 -2.760 -9.479 1.00 14.33 O ATOM 879 CB VAL B 27 -10.436 -4.657 -10.794 1.00 2.24 C ATOM 880 CG1 VAL B 27 -11.298 -4.512 -9.539 1.00 14.42 C ATOM 881 CG2 VAL B 27 -11.283 -5.074 -11.997 1.00 61.24 C ATOM 0 H VAL B 27 -8.196 -4.603 -11.914 1.00 42.55 H new ATOM 0 HA VAL B 27 -10.372 -2.689 -11.571 1.00 44.21 H new ATOM 0 HB VAL B 27 -9.707 -5.446 -10.610 1.00 2.24 H new ATOM 0 HG11 VAL B 27 -11.833 -5.444 -9.355 1.00 14.42 H new ATOM 0 HG12 VAL B 27 -10.661 -4.285 -8.684 1.00 14.42 H new ATOM 0 HG13 VAL B 27 -12.016 -3.704 -9.682 1.00 14.42 H new ATOM 0 HG21 VAL B 27 -11.818 -5.995 -11.764 1.00 61.24 H new ATOM 0 HG22 VAL B 27 -12.000 -4.286 -12.228 1.00 61.24 H new ATOM 0 HG23 VAL B 27 -10.636 -5.239 -12.858 1.00 61.24 H new ATOM 891 N CYS B 28 -10.089 -1.990 -9.150 1.00 74.24 N ATOM 892 CA CYS B 28 -9.757 -1.279 -7.928 1.00 53.12 C ATOM 893 C CYS B 28 -11.040 -0.661 -7.368 1.00 41.41 C ATOM 894 O CYS B 28 -11.766 0.028 -8.083 1.00 61.22 O ATOM 895 CB CYS B 28 -8.673 -0.226 -8.163 1.00 44.21 C ATOM 896 SG CYS B 28 -9.249 1.298 -8.995 1.00 51.45 S ATOM 0 H CYS B 28 -11.066 -1.917 -9.433 1.00 74.24 H new ATOM 0 HA CYS B 28 -9.342 -1.976 -7.200 1.00 53.12 H new ATOM 0 HB2 CYS B 28 -8.235 0.045 -7.202 1.00 44.21 H new ATOM 0 HB3 CYS B 28 -7.878 -0.671 -8.761 1.00 44.21 H new ATOM 901 N CYS B 29 -11.280 -0.929 -6.093 1.00 24.02 N ATOM 902 CA CYS B 29 -12.462 -0.408 -5.428 1.00 14.41 C ATOM 903 C CYS B 29 -13.679 -0.711 -6.305 1.00 51.31 C ATOM 904 O CYS B 29 -14.321 0.204 -6.818 1.00 1.42 O ATOM 905 CB CYS B 29 -12.331 1.087 -5.130 1.00 44.21 C ATOM 906 SG CYS B 29 -12.436 2.174 -6.598 1.00 14.41 S ATOM 0 H CYS B 29 -10.676 -1.500 -5.503 1.00 24.02 H new ATOM 0 HA CYS B 29 -12.582 -0.895 -4.460 1.00 14.41 H new ATOM 0 HB2 CYS B 29 -13.113 1.373 -4.427 1.00 44.21 H new ATOM 0 HB3 CYS B 29 -11.377 1.262 -4.633 1.00 44.21 H new ATOM 911 N GLY B 30 -13.959 -1.997 -6.450 1.00 22.24 N ATOM 912 CA GLY B 30 -15.087 -2.432 -7.255 1.00 22.40 C ATOM 913 C GLY B 30 -15.245 -1.552 -8.496 1.00 54.21 C ATOM 914 O GLY B 30 -16.355 -1.370 -8.995 1.00 72.51 O ATOM 0 H GLY B 30 -13.424 -2.753 -6.023 1.00 22.24 H new ATOM 0 HA2 GLY B 30 -14.945 -3.470 -7.556 1.00 22.40 H new ATOM 0 HA3 GLY B 30 -15.999 -2.395 -6.660 1.00 22.40 H new ATOM 918 N GLU B 31 -14.120 -1.027 -8.958 1.00 63.42 N ATOM 919 CA GLU B 31 -14.120 -0.171 -10.132 1.00 40.42 C ATOM 920 C GLU B 31 -12.876 -0.433 -10.982 1.00 24.12 C ATOM 921 O GLU B 31 -11.785 -0.630 -10.448 1.00 4.35 O ATOM 922 CB GLU B 31 -14.210 1.304 -9.734 1.00 34.02 C ATOM 923 CG GLU B 31 -13.849 2.213 -10.911 1.00 3.03 C ATOM 924 CD GLU B 31 -14.193 3.672 -10.603 1.00 10.03 C ATOM 925 OE1 GLU B 31 -15.378 4.016 -10.481 1.00 70.00 O ATOM 926 OE2 GLU B 31 -13.179 4.460 -10.489 1.00 64.35 O ATOM 0 H GLU B 31 -13.202 -1.178 -8.540 1.00 63.42 H new ATOM 0 HA GLU B 31 -15.000 -0.408 -10.730 1.00 40.42 H new ATOM 0 HB2 GLU B 31 -15.219 1.531 -9.391 1.00 34.02 H new ATOM 0 HB3 GLU B 31 -13.538 1.501 -8.899 1.00 34.02 H new ATOM 0 HG2 GLU B 31 -12.785 2.125 -11.130 1.00 3.03 H new ATOM 0 HG3 GLU B 31 -14.386 1.890 -11.803 1.00 3.03 H new ATOM 933 N ASP B 32 -13.080 -0.429 -12.291 1.00 31.35 N ATOM 934 CA ASP B 32 -11.987 -0.666 -13.219 1.00 52.24 C ATOM 935 C ASP B 32 -11.200 0.631 -13.415 1.00 10.54 C ATOM 936 O ASP B 32 -11.615 1.506 -14.173 1.00 14.11 O ATOM 937 CB ASP B 32 -12.513 -1.109 -14.586 1.00 60.22 C ATOM 938 CG ASP B 32 -13.729 -0.333 -15.095 1.00 14.52 C ATOM 939 OD1 ASP B 32 -13.701 0.903 -15.195 1.00 54.14 O ATOM 940 OD2 ASP B 32 -14.751 -1.058 -15.399 1.00 14.34 O ATOM 0 H ASP B 32 -13.986 -0.265 -12.731 1.00 31.35 H new ATOM 0 HA ASP B 32 -11.355 -1.450 -12.803 1.00 52.24 H new ATOM 0 HB2 ASP B 32 -11.709 -1.014 -15.316 1.00 60.22 H new ATOM 0 HB3 ASP B 32 -12.772 -2.166 -14.533 1.00 60.22 H new ATOM 945 N MET B 33 -10.078 0.715 -12.716 1.00 4.23 N ATOM 946 CA MET B 33 -9.228 1.891 -12.802 1.00 40.25 C ATOM 947 C MET B 33 -9.304 2.521 -14.194 1.00 45.44 C ATOM 948 O MET B 33 -9.145 1.832 -15.201 1.00 41.22 O ATOM 949 CB MET B 33 -7.781 1.500 -12.498 1.00 20.43 C ATOM 950 CG MET B 33 -7.144 2.479 -11.511 1.00 3.33 C ATOM 951 SD MET B 33 -5.454 2.810 -11.983 1.00 14.14 S ATOM 952 CE MET B 33 -4.866 1.142 -12.220 1.00 11.10 C ATOM 0 H MET B 33 -9.737 -0.012 -12.087 1.00 4.23 H new ATOM 0 HA MET B 33 -9.577 2.622 -12.072 1.00 40.25 H new ATOM 0 HB2 MET B 33 -7.752 0.492 -12.085 1.00 20.43 H new ATOM 0 HB3 MET B 33 -7.203 1.483 -13.422 1.00 20.43 H new ATOM 0 HG2 MET B 33 -7.713 3.408 -11.490 1.00 3.33 H new ATOM 0 HG3 MET B 33 -7.174 2.064 -10.504 1.00 3.33 H new ATOM 0 HE1 MET B 33 -4.190 1.113 -13.074 1.00 11.10 H new ATOM 0 HE2 MET B 33 -4.336 0.812 -11.326 1.00 11.10 H new ATOM 0 HE3 MET B 33 -5.712 0.481 -12.405 1.00 11.10 H new ATOM 962 N VAL B 34 -9.546 3.824 -14.207 1.00 74.13 N ATOM 963 CA VAL B 34 -9.645 4.554 -15.460 1.00 11.43 C ATOM 964 C VAL B 34 -8.240 4.909 -15.951 1.00 21.11 C ATOM 965 O VAL B 34 -7.283 4.878 -15.179 1.00 20.53 O ATOM 966 CB VAL B 34 -10.542 5.781 -15.280 1.00 73.34 C ATOM 967 CG1 VAL B 34 -10.984 6.339 -16.635 1.00 64.01 C ATOM 968 CG2 VAL B 34 -11.752 5.451 -14.403 1.00 31.53 C ATOM 0 H VAL B 34 -9.676 4.393 -13.370 1.00 74.13 H new ATOM 0 HA VAL B 34 -10.111 3.935 -16.227 1.00 11.43 H new ATOM 0 HB VAL B 34 -9.960 6.551 -14.773 1.00 73.34 H new ATOM 0 HG11 VAL B 34 -11.620 7.210 -16.480 1.00 64.01 H new ATOM 0 HG12 VAL B 34 -10.106 6.629 -17.213 1.00 64.01 H new ATOM 0 HG13 VAL B 34 -11.540 5.576 -17.179 1.00 64.01 H new ATOM 0 HG21 VAL B 34 -12.373 6.340 -14.291 1.00 31.53 H new ATOM 0 HG22 VAL B 34 -12.335 4.658 -14.871 1.00 31.53 H new ATOM 0 HG23 VAL B 34 -11.411 5.120 -13.422 1.00 31.53 H new ATOM 978 N LYS B 35 -8.161 5.237 -17.232 1.00 43.11 N ATOM 979 CA LYS B 35 -6.888 5.596 -17.835 1.00 14.22 C ATOM 980 C LYS B 35 -6.891 7.090 -18.166 1.00 4.40 C ATOM 981 O LYS B 35 -7.943 7.669 -18.432 1.00 10.13 O ATOM 982 CB LYS B 35 -6.593 4.699 -19.039 1.00 13.51 C ATOM 983 CG LYS B 35 -7.288 5.226 -20.297 1.00 22.44 C ATOM 984 CD LYS B 35 -6.379 6.190 -21.061 1.00 63.11 C ATOM 985 CE LYS B 35 -5.190 5.451 -21.680 1.00 74.40 C ATOM 986 NZ LYS B 35 -3.923 6.138 -21.347 1.00 61.03 N ATOM 0 H LYS B 35 -8.957 5.262 -17.869 1.00 43.11 H new ATOM 0 HA LYS B 35 -6.071 5.425 -17.134 1.00 14.22 H new ATOM 0 HB2 LYS B 35 -5.517 4.651 -19.206 1.00 13.51 H new ATOM 0 HB3 LYS B 35 -6.929 3.683 -18.832 1.00 13.51 H new ATOM 0 HG2 LYS B 35 -7.563 4.391 -20.942 1.00 22.44 H new ATOM 0 HG3 LYS B 35 -8.212 5.733 -20.021 1.00 22.44 H new ATOM 0 HD2 LYS B 35 -6.949 6.689 -21.845 1.00 63.11 H new ATOM 0 HD3 LYS B 35 -6.018 6.966 -20.386 1.00 63.11 H new ATOM 0 HE2 LYS B 35 -5.161 4.425 -21.314 1.00 74.40 H new ATOM 0 HE3 LYS B 35 -5.309 5.400 -22.762 1.00 74.40 H new ATOM 0 HZ1 LYS B 35 -3.130 5.643 -21.803 1.00 61.03 H new ATOM 0 HZ2 LYS B 35 -3.960 7.120 -21.688 1.00 61.03 H new ATOM 0 HZ3 LYS B 35 -3.787 6.135 -20.316 1.00 61.03 H new ATOM 999 N GLN B 36 -5.701 7.671 -18.139 1.00 44.33 N ATOM 1000 CA GLN B 36 -5.551 9.086 -18.435 1.00 14.42 C ATOM 1001 C GLN B 36 -5.158 9.285 -19.899 1.00 55.31 C ATOM 1002 O GLN B 36 -4.371 10.175 -20.219 1.00 41.04 O ATOM 1003 CB GLN B 36 -4.530 9.737 -17.500 1.00 32.44 C ATOM 1004 CG GLN B 36 -4.567 9.091 -16.113 1.00 64.41 C ATOM 1005 CD GLN B 36 -5.651 9.726 -15.240 1.00 60.12 C ATOM 1006 OE1 GLN B 36 -5.491 10.803 -14.691 1.00 21.24 O ATOM 1007 NE2 GLN B 36 -6.762 9.000 -15.145 1.00 4.43 N ATOM 0 H GLN B 36 -4.831 7.188 -17.917 1.00 44.33 H new ATOM 0 HA GLN B 36 -6.511 9.575 -18.268 1.00 14.42 H new ATOM 0 HB2 GLN B 36 -3.530 9.641 -17.924 1.00 32.44 H new ATOM 0 HB3 GLN B 36 -4.738 10.803 -17.414 1.00 32.44 H new ATOM 0 HG2 GLN B 36 -4.754 8.022 -16.211 1.00 64.41 H new ATOM 0 HG3 GLN B 36 -3.596 9.201 -15.631 1.00 64.41 H new ATOM 0 HE21 GLN B 36 -6.830 8.106 -15.631 1.00 4.43 H new ATOM 0 HE22 GLN B 36 -7.546 9.338 -14.586 1.00 4.43 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -3.176 -10.047 -14.686 1.00 22.01 ZN HETATM 1018 ZN ZN B 37 -10.535 2.686 -7.461 1.00 31.51 ZN