USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 522 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 NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc= -9.16! C(o=-23!,f=-26!) USER MOD Set 1.2: A 72 ASN : amide:sc= -14.3! C(o=-23!,f=-41!) USER MOD Single : A 1 GLY N :NH3+ 126:sc= 0.0323 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 2:sc= 0.29 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 155:sc= -4.9! (180deg=-8.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0627 F(o=-0.92,f=-0.063) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -5.01! C(o=-5!,f=-20!) USER MOD Single : A 27 SER OG : rot 65:sc= 0.0891 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -11.2! C(o=-11!,f=-22!) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 0.0285 (180deg=-0.683!) USER MOD Single : A 48 SER OG : rot -43:sc= 0.302 USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= -0.213 (180deg=-1.07) USER MOD Single : A 54 THR OG1 : rot 120:sc= -1.05 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -100:sc= -1.33 USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= -0.263 (180deg=-0.727) USER MOD Single : A 73 SER OG : rot -28:sc= 0.373 USER MOD Single : A 75 LYS NZ :NH3+ -143:sc= -2.67! (180deg=-4.88!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.050 21.109 14.080 1.00 0.00 N ATOM 2 CA GLY A 1 -13.523 20.206 13.073 1.00 0.00 C ATOM 3 C GLY A 1 -13.328 20.885 11.732 1.00 0.00 C ATOM 4 O GLY A 1 -14.023 21.847 11.407 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.909 20.699 14.499 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.337 21.254 14.823 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.282 22.022 13.640 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.570 19.802 13.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.203 19.362 12.954 1.00 0.00 H new ATOM 8 N SER A 2 -12.376 20.384 10.950 1.00 0.00 N ATOM 9 CA SER A 2 -12.087 20.952 9.639 1.00 0.00 C ATOM 10 C SER A 2 -12.047 19.862 8.572 1.00 0.00 C ATOM 11 O SER A 2 -12.220 18.680 8.869 1.00 0.00 O ATOM 12 CB SER A 2 -10.754 21.702 9.667 1.00 0.00 C ATOM 13 OG SER A 2 -10.626 22.471 10.851 1.00 0.00 O ATOM 0 H SER A 2 -11.792 19.586 11.202 1.00 0.00 H new ATOM 0 HA SER A 2 -12.885 21.652 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.931 20.990 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.682 22.354 8.797 1.00 0.00 H new ATOM 0 HG SER A 2 -9.765 22.939 10.845 1.00 0.00 H new ATOM 19 N SER A 3 -11.817 20.269 7.328 1.00 0.00 N ATOM 20 CA SER A 3 -11.758 19.328 6.215 1.00 0.00 C ATOM 21 C SER A 3 -10.880 19.871 5.091 1.00 0.00 C ATOM 22 O SER A 3 -10.769 21.082 4.904 1.00 0.00 O ATOM 23 CB SER A 3 -13.165 19.042 5.686 1.00 0.00 C ATOM 24 OG SER A 3 -13.945 18.363 6.654 1.00 0.00 O ATOM 0 H SER A 3 -11.669 21.243 7.065 1.00 0.00 H new ATOM 0 HA SER A 3 -11.319 18.399 6.579 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.652 19.978 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.101 18.441 4.779 1.00 0.00 H new ATOM 0 HG SER A 3 -13.421 18.249 7.474 1.00 0.00 H new ATOM 30 N GLY A 4 -10.259 18.964 4.343 1.00 0.00 N ATOM 31 CA GLY A 4 -9.398 19.370 3.247 1.00 0.00 C ATOM 32 C GLY A 4 -9.179 18.259 2.239 1.00 0.00 C ATOM 33 O GLY A 4 -9.717 17.162 2.389 1.00 0.00 O ATOM 0 H GLY A 4 -10.337 17.956 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.837 20.231 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.435 19.690 3.645 1.00 0.00 H new ATOM 37 N SER A 5 -8.390 18.543 1.209 1.00 0.00 N ATOM 38 CA SER A 5 -8.106 17.561 0.170 1.00 0.00 C ATOM 39 C SER A 5 -6.610 17.506 -0.132 1.00 0.00 C ATOM 40 O SER A 5 -5.976 18.534 -0.368 1.00 0.00 O ATOM 41 CB SER A 5 -8.883 17.897 -1.105 1.00 0.00 C ATOM 42 OG SER A 5 -9.042 19.297 -1.251 1.00 0.00 O ATOM 0 H SER A 5 -7.936 19.446 1.071 1.00 0.00 H new ATOM 0 HA SER A 5 -8.422 16.583 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.358 17.495 -1.971 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.862 17.418 -1.075 1.00 0.00 H new ATOM 0 HG SER A 5 -9.540 19.486 -2.074 1.00 0.00 H new ATOM 48 N SER A 6 -6.056 16.298 -0.123 1.00 0.00 N ATOM 49 CA SER A 6 -4.636 16.108 -0.392 1.00 0.00 C ATOM 50 C SER A 6 -4.408 14.876 -1.263 1.00 0.00 C ATOM 51 O SER A 6 -5.301 14.049 -1.434 1.00 0.00 O ATOM 52 CB SER A 6 -3.860 15.968 0.920 1.00 0.00 C ATOM 53 OG SER A 6 -4.490 16.692 1.964 1.00 0.00 O ATOM 0 H SER A 6 -6.569 15.437 0.068 1.00 0.00 H new ATOM 0 HA SER A 6 -4.274 16.985 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.789 14.915 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.841 16.331 0.784 1.00 0.00 H new ATOM 0 HG SER A 6 -3.976 16.586 2.792 1.00 0.00 H new ATOM 59 N GLY A 7 -3.203 14.763 -1.813 1.00 0.00 N ATOM 60 CA GLY A 7 -2.877 13.631 -2.660 1.00 0.00 C ATOM 61 C GLY A 7 -1.393 13.528 -2.947 1.00 0.00 C ATOM 62 O GLY A 7 -0.988 12.998 -3.982 1.00 0.00 O ATOM 0 H GLY A 7 -2.447 15.436 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.215 12.713 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.420 13.717 -3.601 1.00 0.00 H new ATOM 66 N MET A 8 -0.578 14.038 -2.029 1.00 0.00 N ATOM 67 CA MET A 8 0.871 14.001 -2.189 1.00 0.00 C ATOM 68 C MET A 8 1.415 12.604 -1.906 1.00 0.00 C ATOM 69 O MET A 8 2.627 12.394 -1.872 1.00 0.00 O ATOM 70 CB MET A 8 1.534 15.017 -1.257 1.00 0.00 C ATOM 71 CG MET A 8 1.246 14.769 0.215 1.00 0.00 C ATOM 72 SD MET A 8 -0.046 15.849 0.861 1.00 0.00 S ATOM 73 CE MET A 8 -1.262 14.644 1.388 1.00 0.00 C ATOM 0 H MET A 8 -0.896 14.481 -1.167 1.00 0.00 H new ATOM 0 HA MET A 8 1.104 14.259 -3.222 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.612 14.995 -1.417 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.193 16.018 -1.522 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.948 13.730 0.353 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.160 14.918 0.790 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.882 15.073 2.175 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.890 14.367 0.541 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.755 13.758 1.769 1.00 0.00 H new ATOM 83 N ALA A 9 0.509 11.652 -1.705 1.00 0.00 N ATOM 84 CA ALA A 9 0.898 10.275 -1.427 1.00 0.00 C ATOM 85 C ALA A 9 1.318 9.555 -2.704 1.00 0.00 C ATOM 86 O ALA A 9 0.474 9.111 -3.485 1.00 0.00 O ATOM 87 CB ALA A 9 -0.242 9.530 -0.749 1.00 0.00 C ATOM 0 H ALA A 9 -0.498 11.809 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 9 1.755 10.295 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.063 8.503 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.493 10.025 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.115 9.528 -1.402 1.00 0.00 H new ATOM 93 N LEU A 10 2.625 9.442 -2.913 1.00 0.00 N ATOM 94 CA LEU A 10 3.156 8.776 -4.097 1.00 0.00 C ATOM 95 C LEU A 10 3.113 7.260 -3.934 1.00 0.00 C ATOM 96 O LEU A 10 3.353 6.734 -2.847 1.00 0.00 O ATOM 97 CB LEU A 10 4.592 9.230 -4.360 1.00 0.00 C ATOM 98 CG LEU A 10 4.852 10.733 -4.248 1.00 0.00 C ATOM 99 CD1 LEU A 10 6.271 11.064 -4.686 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.840 11.512 -5.075 1.00 0.00 C ATOM 0 H LEU A 10 3.337 9.803 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 10 2.532 9.050 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.249 8.715 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.877 8.906 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 10 4.739 11.025 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.437 12.138 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.981 10.534 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.413 10.757 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.040 12.580 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.920 11.216 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.834 11.299 -4.714 1.00 0.00 H new ATOM 112 N LEU A 11 2.806 6.562 -5.022 1.00 0.00 N ATOM 113 CA LEU A 11 2.733 5.105 -5.002 1.00 0.00 C ATOM 114 C LEU A 11 4.108 4.487 -5.228 1.00 0.00 C ATOM 115 O LEU A 11 4.757 4.746 -6.242 1.00 0.00 O ATOM 116 CB LEU A 11 1.755 4.609 -6.069 1.00 0.00 C ATOM 117 CG LEU A 11 1.627 3.091 -6.208 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.781 2.417 -4.854 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.291 2.725 -6.839 1.00 0.00 C ATOM 0 H LEU A 11 2.604 6.982 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 11 2.375 4.797 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.769 5.018 -5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.061 5.018 -7.032 1.00 0.00 H new ATOM 0 HG LEU A 11 2.424 2.736 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.687 1.338 -4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.761 2.653 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.005 2.777 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.217 1.641 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.521 3.093 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.219 3.178 -7.828 1.00 0.00 H new ATOM 131 N CYS A 12 4.547 3.668 -4.278 1.00 0.00 N ATOM 132 CA CYS A 12 5.845 3.012 -4.374 1.00 0.00 C ATOM 133 C CYS A 12 5.783 1.822 -5.328 1.00 0.00 C ATOM 134 O CYS A 12 4.938 0.940 -5.184 1.00 0.00 O ATOM 135 CB CYS A 12 6.308 2.548 -2.991 1.00 0.00 C ATOM 136 SG CYS A 12 8.092 2.195 -2.885 1.00 0.00 S ATOM 0 H CYS A 12 4.022 3.443 -3.433 1.00 0.00 H new ATOM 0 HA CYS A 12 6.562 3.733 -4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.056 3.315 -2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.754 1.651 -2.716 1.00 0.00 H new ATOM 141 N TYR A 13 6.688 1.805 -6.301 1.00 0.00 N ATOM 142 CA TYR A 13 6.735 0.726 -7.281 1.00 0.00 C ATOM 143 C TYR A 13 7.872 -0.243 -6.968 1.00 0.00 C ATOM 144 O TYR A 13 8.158 -1.151 -7.746 1.00 0.00 O ATOM 145 CB TYR A 13 6.908 1.295 -8.690 1.00 0.00 C ATOM 146 CG TYR A 13 5.801 2.239 -9.102 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.594 1.754 -9.589 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.964 3.615 -9.006 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.580 2.612 -9.968 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.955 4.481 -9.381 1.00 0.00 C ATOM 151 CZ TYR A 13 3.764 3.974 -9.862 1.00 0.00 C ATOM 152 OH TYR A 13 2.757 4.833 -10.237 1.00 0.00 O ATOM 0 H TYR A 13 7.398 2.525 -6.432 1.00 0.00 H new ATOM 0 HA TYR A 13 5.792 0.181 -7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.862 1.820 -8.746 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.955 0.471 -9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.446 0.688 -9.673 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.895 4.015 -8.632 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.648 2.218 -10.345 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.097 5.548 -9.298 1.00 0.00 H new ATOM 0 HH TYR A 13 3.048 5.758 -10.098 1.00 0.00 H new ATOM 162 N ASN A 14 8.514 -0.042 -5.822 1.00 0.00 N ATOM 163 CA ASN A 14 9.618 -0.897 -5.405 1.00 0.00 C ATOM 164 C ASN A 14 9.108 -2.261 -4.949 1.00 0.00 C ATOM 165 O ASN A 14 8.172 -2.352 -4.156 1.00 0.00 O ATOM 166 CB ASN A 14 10.407 -0.232 -4.275 1.00 0.00 C ATOM 167 CG ASN A 14 11.174 0.988 -4.746 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.702 1.012 -5.857 1.00 0.00 O ATOM 169 ND2 ASN A 14 11.238 2.010 -3.899 1.00 0.00 N ATOM 0 H ASN A 14 8.288 0.706 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 14 10.275 -1.042 -6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.721 0.058 -3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.104 -0.954 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.740 2.858 -4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.785 1.946 -2.987 1.00 0.00 H new ATOM 176 N ARG A 15 9.733 -3.319 -5.457 1.00 0.00 N ATOM 177 CA ARG A 15 9.342 -4.679 -5.104 1.00 0.00 C ATOM 178 C ARG A 15 9.332 -4.865 -3.589 1.00 0.00 C ATOM 179 O ARG A 15 10.288 -4.505 -2.903 1.00 0.00 O ATOM 180 CB ARG A 15 10.293 -5.689 -5.747 1.00 0.00 C ATOM 181 CG ARG A 15 10.633 -5.370 -7.193 1.00 0.00 C ATOM 182 CD ARG A 15 11.004 -6.624 -7.968 1.00 0.00 C ATOM 183 NE ARG A 15 10.861 -6.439 -9.410 1.00 0.00 N ATOM 184 CZ ARG A 15 9.688 -6.388 -10.031 1.00 0.00 C ATOM 185 NH1 ARG A 15 8.562 -6.507 -9.341 1.00 0.00 N ATOM 186 NH2 ARG A 15 9.641 -6.217 -11.346 1.00 0.00 N ATOM 0 H ARG A 15 10.511 -3.261 -6.114 1.00 0.00 H new ATOM 0 HA ARG A 15 8.334 -4.850 -5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.214 -5.728 -5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.843 -6.681 -5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.781 -4.885 -7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.462 -4.663 -7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.033 -6.901 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.372 -7.451 -7.644 1.00 0.00 H new ATOM 0 HE ARG A 15 11.708 -6.344 -9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.595 -6.638 -8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.663 -6.467 -9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.505 -6.125 -11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.740 -6.178 -11.823 1.00 0.00 H new ATOM 200 N GLY A 16 8.245 -5.431 -3.074 1.00 0.00 N ATOM 201 CA GLY A 16 8.130 -5.655 -1.645 1.00 0.00 C ATOM 202 C GLY A 16 7.309 -4.584 -0.954 1.00 0.00 C ATOM 203 O GLY A 16 6.783 -4.803 0.138 1.00 0.00 O ATOM 0 H GLY A 16 7.441 -5.739 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.673 -6.629 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.126 -5.686 -1.204 1.00 0.00 H new ATOM 207 N CYS A 17 7.200 -3.423 -1.589 1.00 0.00 N ATOM 208 CA CYS A 17 6.438 -2.313 -1.029 1.00 0.00 C ATOM 209 C CYS A 17 5.087 -2.173 -1.725 1.00 0.00 C ATOM 210 O CYS A 17 4.045 -2.477 -1.146 1.00 0.00 O ATOM 211 CB CYS A 17 7.228 -1.009 -1.158 1.00 0.00 C ATOM 212 SG CYS A 17 6.981 0.151 0.225 1.00 0.00 S ATOM 0 H CYS A 17 7.630 -3.226 -2.493 1.00 0.00 H new ATOM 0 HA CYS A 17 6.263 -2.522 0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.289 -1.246 -1.234 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.944 -0.515 -2.087 1.00 0.00 H new ATOM 217 N GLY A 18 5.115 -1.712 -2.972 1.00 0.00 N ATOM 218 CA GLY A 18 3.887 -1.540 -3.726 1.00 0.00 C ATOM 219 C GLY A 18 2.845 -0.746 -2.965 1.00 0.00 C ATOM 220 O GLY A 18 1.665 -0.763 -3.315 1.00 0.00 O ATOM 0 H GLY A 18 5.965 -1.455 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.109 -1.035 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.480 -2.519 -3.979 1.00 0.00 H new ATOM 224 N GLN A 19 3.280 -0.050 -1.919 1.00 0.00 N ATOM 225 CA GLN A 19 2.375 0.752 -1.105 1.00 0.00 C ATOM 226 C GLN A 19 2.615 2.241 -1.330 1.00 0.00 C ATOM 227 O GLN A 19 3.592 2.633 -1.967 1.00 0.00 O ATOM 228 CB GLN A 19 2.551 0.412 0.376 1.00 0.00 C ATOM 229 CG GLN A 19 2.153 -1.012 0.726 1.00 0.00 C ATOM 230 CD GLN A 19 0.765 -1.099 1.329 1.00 0.00 C ATOM 231 OE1 GLN A 19 -0.091 -0.142 0.986 1.00 0.00 O flip ATOM 232 NE2 GLN A 19 0.464 -2.015 2.095 1.00 0.00 N flip ATOM 0 H GLN A 19 4.254 -0.026 -1.616 1.00 0.00 H new ATOM 0 HA GLN A 19 1.353 0.519 -1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.593 0.568 0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.955 1.103 0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.194 -1.628 -0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.877 -1.425 1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.153 -2.729 2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.474 -2.060 2.493 1.00 0.00 H new ATOM 241 N ARG A 20 1.717 3.066 -0.802 1.00 0.00 N ATOM 242 CA ARG A 20 1.830 4.512 -0.947 1.00 0.00 C ATOM 243 C ARG A 20 2.811 5.085 0.072 1.00 0.00 C ATOM 244 O ARG A 20 3.313 4.368 0.936 1.00 0.00 O ATOM 245 CB ARG A 20 0.460 5.172 -0.779 1.00 0.00 C ATOM 246 CG ARG A 20 -0.509 4.859 -1.907 1.00 0.00 C ATOM 247 CD ARG A 20 -0.359 5.841 -3.058 1.00 0.00 C ATOM 248 NE ARG A 20 -1.613 6.025 -3.787 1.00 0.00 N ATOM 249 CZ ARG A 20 -2.165 5.085 -4.546 1.00 0.00 C ATOM 250 NH1 ARG A 20 -1.581 3.902 -4.674 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.307 5.328 -5.178 1.00 0.00 N ATOM 0 H ARG A 20 0.903 2.758 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 20 2.207 4.723 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.023 4.847 0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.592 6.252 -0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.335 3.845 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.531 4.892 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.019 6.802 -2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.409 5.482 -3.743 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.090 6.923 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.704 3.711 -4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.008 3.183 -5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.760 6.236 -5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.731 4.606 -5.761 1.00 0.00 H new ATOM 265 N PHE A 21 3.078 6.382 -0.037 1.00 0.00 N ATOM 266 CA PHE A 21 4.000 7.052 0.873 1.00 0.00 C ATOM 267 C PHE A 21 3.990 8.561 0.646 1.00 0.00 C ATOM 268 O PHE A 21 3.502 9.042 -0.378 1.00 0.00 O ATOM 269 CB PHE A 21 5.418 6.507 0.689 1.00 0.00 C ATOM 270 CG PHE A 21 6.054 6.919 -0.608 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.854 6.176 -1.760 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.853 8.049 -0.674 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.439 6.553 -2.955 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.439 8.431 -1.866 1.00 0.00 C ATOM 275 CZ PHE A 21 7.233 7.681 -3.008 1.00 0.00 C ATOM 0 H PHE A 21 2.669 6.990 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 21 3.671 6.854 1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.041 6.850 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.390 5.419 0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.234 5.292 -1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.020 8.638 0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.275 5.965 -3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.058 9.315 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.692 7.977 -3.940 1.00 0.00 H new ATOM 285 N ASP A 22 4.528 9.302 1.607 1.00 0.00 N ATOM 286 CA ASP A 22 4.582 10.756 1.513 1.00 0.00 C ATOM 287 C ASP A 22 6.021 11.237 1.352 1.00 0.00 C ATOM 288 O ASP A 22 6.905 10.906 2.143 1.00 0.00 O ATOM 289 CB ASP A 22 3.955 11.392 2.754 1.00 0.00 C ATOM 290 CG ASP A 22 2.509 10.975 2.950 1.00 0.00 C ATOM 291 OD1 ASP A 22 1.910 10.445 1.992 1.00 0.00 O ATOM 292 OD2 ASP A 22 1.981 11.177 4.062 1.00 0.00 O ATOM 0 H ASP A 22 4.934 8.920 2.461 1.00 0.00 H new ATOM 0 HA ASP A 22 4.015 11.060 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.534 11.112 3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.009 12.477 2.669 1.00 0.00 H new ATOM 297 N PRO A 23 6.264 12.037 0.304 1.00 0.00 N ATOM 298 CA PRO A 23 7.594 12.581 0.014 1.00 0.00 C ATOM 299 C PRO A 23 8.028 13.626 1.037 1.00 0.00 C ATOM 300 O PRO A 23 9.207 13.719 1.380 1.00 0.00 O ATOM 301 CB PRO A 23 7.424 13.222 -1.365 1.00 0.00 C ATOM 302 CG PRO A 23 5.971 13.547 -1.454 1.00 0.00 C ATOM 303 CD PRO A 23 5.259 12.474 -0.680 1.00 0.00 C ATOM 0 HA PRO A 23 8.365 11.811 0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.037 14.118 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.727 12.539 -2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.765 14.532 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.638 13.566 -2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.362 12.857 -0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.946 11.654 -1.326 1.00 0.00 H new ATOM 311 N GLU A 24 7.069 14.409 1.520 1.00 0.00 N ATOM 312 CA GLU A 24 7.354 15.447 2.503 1.00 0.00 C ATOM 313 C GLU A 24 8.010 14.854 3.746 1.00 0.00 C ATOM 314 O GLU A 24 8.547 15.577 4.586 1.00 0.00 O ATOM 315 CB GLU A 24 6.068 16.180 2.892 1.00 0.00 C ATOM 316 CG GLU A 24 4.825 15.311 2.811 1.00 0.00 C ATOM 317 CD GLU A 24 3.658 15.889 3.587 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.188 16.987 3.220 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.214 15.245 4.560 1.00 0.00 O ATOM 0 H GLU A 24 6.088 14.344 1.247 1.00 0.00 H new ATOM 0 HA GLU A 24 8.046 16.158 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.170 16.560 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.940 17.044 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.538 15.191 1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.055 14.317 3.195 1.00 0.00 H new ATOM 326 N THR A 25 7.964 13.530 3.858 1.00 0.00 N ATOM 327 CA THR A 25 8.550 12.837 4.999 1.00 0.00 C ATOM 328 C THR A 25 9.488 11.725 4.543 1.00 0.00 C ATOM 329 O THR A 25 10.434 11.371 5.246 1.00 0.00 O ATOM 330 CB THR A 25 7.464 12.237 5.911 1.00 0.00 C ATOM 331 OG1 THR A 25 7.959 11.053 6.547 1.00 0.00 O ATOM 332 CG2 THR A 25 6.212 11.906 5.116 1.00 0.00 C ATOM 0 H THR A 25 7.526 12.916 3.171 1.00 0.00 H new ATOM 0 HA THR A 25 9.117 13.578 5.563 1.00 0.00 H new ATOM 0 HB THR A 25 7.208 12.977 6.669 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.264 10.678 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.459 11.484 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.822 12.814 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.456 11.182 4.338 1.00 0.00 H new ATOM 340 N ASN A 26 9.219 11.177 3.362 1.00 0.00 N ATOM 341 CA ASN A 26 10.039 10.104 2.813 1.00 0.00 C ATOM 342 C ASN A 26 11.502 10.280 3.210 1.00 0.00 C ATOM 343 O ASN A 26 12.025 11.394 3.215 1.00 0.00 O ATOM 344 CB ASN A 26 9.914 10.067 1.289 1.00 0.00 C ATOM 345 CG ASN A 26 10.684 8.915 0.673 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.503 8.277 1.334 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.424 8.643 -0.600 1.00 0.00 N ATOM 0 H ASN A 26 8.440 11.459 2.767 1.00 0.00 H new ATOM 0 HA ASN A 26 9.680 9.160 3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.862 9.985 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.279 11.007 0.874 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.911 7.879 -1.068 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.737 9.198 -1.110 1.00 0.00 H new ATOM 354 N SER A 27 12.157 9.172 3.542 1.00 0.00 N ATOM 355 CA SER A 27 13.559 9.203 3.944 1.00 0.00 C ATOM 356 C SER A 27 14.307 7.992 3.397 1.00 0.00 C ATOM 357 O SER A 27 13.736 7.161 2.690 1.00 0.00 O ATOM 358 CB SER A 27 13.674 9.242 5.469 1.00 0.00 C ATOM 359 OG SER A 27 13.462 10.553 5.963 1.00 0.00 O ATOM 0 H SER A 27 11.739 8.241 3.541 1.00 0.00 H new ATOM 0 HA SER A 27 14.010 10.105 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.945 8.562 5.909 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.661 8.891 5.772 1.00 0.00 H new ATOM 0 HG SER A 27 12.541 10.829 5.773 1.00 0.00 H new ATOM 365 N ASP A 28 15.590 7.899 3.728 1.00 0.00 N ATOM 366 CA ASP A 28 16.420 6.789 3.272 1.00 0.00 C ATOM 367 C ASP A 28 16.156 5.537 4.102 1.00 0.00 C ATOM 368 O ASP A 28 16.681 4.463 3.807 1.00 0.00 O ATOM 369 CB ASP A 28 17.900 7.166 3.348 1.00 0.00 C ATOM 370 CG ASP A 28 18.807 6.042 2.887 1.00 0.00 C ATOM 371 OD1 ASP A 28 19.031 5.099 3.674 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.295 6.107 1.739 1.00 0.00 O ATOM 0 H ASP A 28 16.079 8.579 4.311 1.00 0.00 H new ATOM 0 HA ASP A 28 16.161 6.576 2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.079 8.049 2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.152 7.435 4.374 1.00 0.00 H new ATOM 377 N ASP A 29 15.342 5.683 5.141 1.00 0.00 N ATOM 378 CA ASP A 29 15.009 4.564 6.015 1.00 0.00 C ATOM 379 C ASP A 29 13.510 4.522 6.298 1.00 0.00 C ATOM 380 O ASP A 29 13.087 4.188 7.404 1.00 0.00 O ATOM 381 CB ASP A 29 15.786 4.665 7.328 1.00 0.00 C ATOM 382 CG ASP A 29 15.465 5.933 8.094 1.00 0.00 C ATOM 383 OD1 ASP A 29 15.767 7.030 7.579 1.00 0.00 O ATOM 384 OD2 ASP A 29 14.913 5.828 9.208 1.00 0.00 O ATOM 0 H ASP A 29 14.900 6.565 5.399 1.00 0.00 H new ATOM 0 HA ASP A 29 15.290 3.642 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.556 3.800 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.855 4.632 7.118 1.00 0.00 H new ATOM 389 N ALA A 30 12.714 4.866 5.292 1.00 0.00 N ATOM 390 CA ALA A 30 11.262 4.867 5.433 1.00 0.00 C ATOM 391 C ALA A 30 10.616 3.877 4.469 1.00 0.00 C ATOM 392 O ALA A 30 9.438 3.549 4.599 1.00 0.00 O ATOM 393 CB ALA A 30 10.712 6.267 5.203 1.00 0.00 C ATOM 0 H ALA A 30 13.049 5.148 4.371 1.00 0.00 H new ATOM 0 HA ALA A 30 11.019 4.555 6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.627 6.254 5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.141 6.951 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.973 6.600 4.198 1.00 0.00 H new ATOM 399 N CYS A 31 11.396 3.406 3.502 1.00 0.00 N ATOM 400 CA CYS A 31 10.900 2.454 2.515 1.00 0.00 C ATOM 401 C CYS A 31 11.650 1.129 2.612 1.00 0.00 C ATOM 402 O CYS A 31 12.882 1.097 2.604 1.00 0.00 O ATOM 403 CB CYS A 31 11.040 3.031 1.104 1.00 0.00 C ATOM 404 SG CYS A 31 10.497 1.901 -0.218 1.00 0.00 S ATOM 0 H CYS A 31 12.374 3.668 3.381 1.00 0.00 H new ATOM 0 HA CYS A 31 9.846 2.270 2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.461 3.952 1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.083 3.298 0.934 1.00 0.00 H new ATOM 409 N THR A 32 10.900 0.036 2.703 1.00 0.00 N ATOM 410 CA THR A 32 11.493 -1.292 2.803 1.00 0.00 C ATOM 411 C THR A 32 11.137 -2.145 1.591 1.00 0.00 C ATOM 412 O THR A 32 10.070 -2.757 1.542 1.00 0.00 O ATOM 413 CB THR A 32 11.033 -2.018 4.081 1.00 0.00 C ATOM 414 OG1 THR A 32 10.783 -1.067 5.122 1.00 0.00 O ATOM 415 CG2 THR A 32 12.083 -3.019 4.542 1.00 0.00 C ATOM 0 H THR A 32 9.880 0.044 2.710 1.00 0.00 H new ATOM 0 HA THR A 32 12.574 -1.154 2.842 1.00 0.00 H new ATOM 0 HB THR A 32 10.113 -2.558 3.855 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.489 -1.537 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.736 -3.520 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.249 -3.759 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.016 -2.497 4.752 1.00 0.00 H new ATOM 423 N TYR A 33 12.038 -2.183 0.614 1.00 0.00 N ATOM 424 CA TYR A 33 11.816 -2.961 -0.599 1.00 0.00 C ATOM 425 C TYR A 33 12.955 -3.950 -0.826 1.00 0.00 C ATOM 426 O TYR A 33 13.861 -4.073 0.000 1.00 0.00 O ATOM 427 CB TYR A 33 11.684 -2.033 -1.808 1.00 0.00 C ATOM 428 CG TYR A 33 12.920 -1.202 -2.072 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.174 -0.049 -1.341 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.832 -1.571 -3.054 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.302 0.714 -1.580 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.962 -0.815 -3.298 1.00 0.00 C ATOM 433 CZ TYR A 33 15.193 0.326 -2.559 1.00 0.00 C ATOM 434 OH TYR A 33 16.317 1.082 -2.800 1.00 0.00 O ATOM 0 H TYR A 33 12.928 -1.685 0.639 1.00 0.00 H new ATOM 0 HA TYR A 33 10.889 -3.522 -0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.463 -2.631 -2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.835 -1.367 -1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.479 0.257 -0.573 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.654 -2.463 -3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.485 1.609 -1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.661 -1.116 -4.064 1.00 0.00 H new ATOM 0 HH TYR A 33 16.840 0.671 -3.520 1.00 0.00 H new ATOM 444 N HIS A 34 12.903 -4.654 -1.952 1.00 0.00 N ATOM 445 CA HIS A 34 13.931 -5.633 -2.291 1.00 0.00 C ATOM 446 C HIS A 34 14.663 -5.232 -3.567 1.00 0.00 C ATOM 447 O HIS A 34 14.122 -5.298 -4.670 1.00 0.00 O ATOM 448 CB HIS A 34 13.307 -7.019 -2.460 1.00 0.00 C ATOM 449 CG HIS A 34 12.708 -7.564 -1.201 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.464 -8.077 -0.168 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.417 -7.673 -0.810 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.663 -8.480 0.803 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.414 -8.245 0.438 1.00 0.00 N ATOM 0 H HIS A 34 12.160 -4.565 -2.645 1.00 0.00 H new ATOM 0 HA HIS A 34 14.653 -5.664 -1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.535 -6.970 -3.228 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.070 -7.710 -2.819 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.549 -7.367 -1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.975 -8.925 1.736 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.584 -8.454 0.993 1.00 0.00 H new ATOM 461 N PRO A 35 15.927 -4.805 -3.416 1.00 0.00 N ATOM 462 CA PRO A 35 16.760 -4.385 -4.545 1.00 0.00 C ATOM 463 C PRO A 35 17.160 -5.555 -5.438 1.00 0.00 C ATOM 464 O PRO A 35 17.906 -5.387 -6.401 1.00 0.00 O ATOM 465 CB PRO A 35 17.995 -3.783 -3.870 1.00 0.00 C ATOM 466 CG PRO A 35 18.062 -4.450 -2.539 1.00 0.00 C ATOM 467 CD PRO A 35 16.638 -4.701 -2.130 1.00 0.00 C ATOM 0 HA PRO A 35 16.235 -3.692 -5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.896 -3.972 -4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.902 -2.702 -3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.621 -5.384 -2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.572 -3.819 -1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.543 -5.615 -1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.246 -3.888 -1.519 1.00 0.00 H new ATOM 475 N GLY A 36 16.654 -6.741 -5.113 1.00 0.00 N ATOM 476 CA GLY A 36 16.969 -7.922 -5.896 1.00 0.00 C ATOM 477 C GLY A 36 15.837 -8.324 -6.820 1.00 0.00 C ATOM 478 O GLY A 36 15.087 -7.474 -7.301 1.00 0.00 O ATOM 0 H GLY A 36 16.032 -6.905 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.866 -7.734 -6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.197 -8.750 -5.224 1.00 0.00 H new ATOM 482 N VAL A 37 15.712 -9.623 -7.069 1.00 0.00 N ATOM 483 CA VAL A 37 14.663 -10.137 -7.942 1.00 0.00 C ATOM 484 C VAL A 37 14.023 -11.390 -7.355 1.00 0.00 C ATOM 485 O VAL A 37 14.628 -12.113 -6.562 1.00 0.00 O ATOM 486 CB VAL A 37 15.208 -10.461 -9.345 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.080 -9.253 -10.261 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.654 -10.925 -9.259 1.00 0.00 C ATOM 0 H VAL A 37 16.324 -10.339 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 37 13.910 -9.353 -8.025 1.00 0.00 H new ATOM 0 HB VAL A 37 14.614 -11.271 -9.769 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.470 -9.502 -11.248 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.031 -8.971 -10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.647 -8.420 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.024 -11.150 -10.259 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.263 -10.137 -8.815 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.713 -11.821 -8.641 1.00 0.00 H new ATOM 498 N PRO A 38 12.769 -11.657 -7.751 1.00 0.00 N ATOM 499 CA PRO A 38 12.021 -12.824 -7.278 1.00 0.00 C ATOM 500 C PRO A 38 12.577 -14.133 -7.828 1.00 0.00 C ATOM 501 O PRO A 38 12.584 -14.355 -9.039 1.00 0.00 O ATOM 502 CB PRO A 38 10.608 -12.579 -7.810 1.00 0.00 C ATOM 503 CG PRO A 38 10.797 -11.704 -9.001 1.00 0.00 C ATOM 504 CD PRO A 38 11.987 -10.839 -8.694 1.00 0.00 C ATOM 0 HA PRO A 38 12.072 -12.928 -6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.119 -13.515 -8.080 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.981 -12.097 -7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.968 -12.298 -9.899 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.910 -11.097 -9.184 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.558 -10.607 -9.593 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.689 -9.889 -8.251 1.00 0.00 H new ATOM 512 N VAL A 39 13.045 -14.996 -6.931 1.00 0.00 N ATOM 513 CA VAL A 39 13.601 -16.283 -7.327 1.00 0.00 C ATOM 514 C VAL A 39 12.743 -17.435 -6.815 1.00 0.00 C ATOM 515 O VAL A 39 12.062 -17.311 -5.797 1.00 0.00 O ATOM 516 CB VAL A 39 15.039 -16.457 -6.804 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.212 -15.747 -5.471 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.386 -17.933 -6.681 1.00 0.00 C ATOM 0 H VAL A 39 13.050 -14.826 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 39 13.613 -16.300 -8.417 1.00 0.00 H new ATOM 0 HB VAL A 39 15.725 -16.005 -7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.234 -15.881 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.008 -14.684 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.518 -16.166 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.406 -18.037 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.696 -18.412 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.305 -18.408 -7.658 1.00 0.00 H new ATOM 528 N PHE A 40 12.781 -18.556 -7.527 1.00 0.00 N ATOM 529 CA PHE A 40 12.007 -19.731 -7.145 1.00 0.00 C ATOM 530 C PHE A 40 12.844 -21.001 -7.278 1.00 0.00 C ATOM 531 O PHE A 40 12.949 -21.577 -8.361 1.00 0.00 O ATOM 532 CB PHE A 40 10.750 -19.843 -8.010 1.00 0.00 C ATOM 533 CG PHE A 40 10.236 -18.517 -8.493 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.830 -17.546 -7.591 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.156 -18.242 -9.849 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.356 -16.326 -8.033 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.682 -17.023 -10.296 1.00 0.00 C ATOM 538 CZ PHE A 40 9.283 -16.063 -9.387 1.00 0.00 C ATOM 0 H PHE A 40 13.340 -18.676 -8.372 1.00 0.00 H new ATOM 0 HA PHE A 40 11.713 -19.618 -6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.966 -20.476 -8.871 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.967 -20.341 -7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.885 -17.745 -6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.468 -18.989 -10.564 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.043 -15.578 -7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.624 -16.821 -11.355 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.915 -15.109 -9.734 1.00 0.00 H new ATOM 548 N HIS A 41 13.436 -21.430 -6.168 1.00 0.00 N ATOM 549 CA HIS A 41 14.264 -22.631 -6.160 1.00 0.00 C ATOM 550 C HIS A 41 13.737 -23.646 -5.150 1.00 0.00 C ATOM 551 O HIS A 41 13.474 -23.309 -3.995 1.00 0.00 O ATOM 552 CB HIS A 41 15.714 -22.275 -5.832 1.00 0.00 C ATOM 553 CG HIS A 41 15.866 -21.486 -4.568 1.00 0.00 C ATOM 554 ND1 HIS A 41 15.516 -21.977 -3.328 1.00 0.00 N ATOM 555 CD2 HIS A 41 16.337 -20.235 -4.356 1.00 0.00 C ATOM 556 CE1 HIS A 41 15.761 -21.061 -2.409 1.00 0.00 C ATOM 557 NE2 HIS A 41 16.261 -19.995 -3.006 1.00 0.00 N ATOM 0 H HIS A 41 13.358 -20.965 -5.264 1.00 0.00 H new ATOM 0 HA HIS A 41 14.223 -23.077 -7.154 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.295 -23.193 -5.749 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.136 -21.704 -6.660 1.00 0.00 H new ATOM 0 HD1 HIS A 41 15.128 -22.903 -3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 41 16.704 -19.553 -5.108 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.583 -21.166 -1.349 1.00 0.00 H new ATOM 565 N ASP A 42 13.583 -24.889 -5.593 1.00 0.00 N ATOM 566 CA ASP A 42 13.089 -25.954 -4.728 1.00 0.00 C ATOM 567 C ASP A 42 11.750 -25.569 -4.105 1.00 0.00 C ATOM 568 O ASP A 42 11.497 -25.850 -2.934 1.00 0.00 O ATOM 569 CB ASP A 42 14.106 -26.263 -3.630 1.00 0.00 C ATOM 570 CG ASP A 42 15.516 -26.407 -4.170 1.00 0.00 C ATOM 571 OD1 ASP A 42 16.231 -25.386 -4.238 1.00 0.00 O ATOM 572 OD2 ASP A 42 15.903 -27.540 -4.526 1.00 0.00 O ATOM 0 H ASP A 42 13.793 -25.184 -6.547 1.00 0.00 H new ATOM 0 HA ASP A 42 12.944 -26.846 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.085 -25.468 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.819 -27.184 -3.122 1.00 0.00 H new ATOM 577 N ALA A 43 10.899 -24.924 -4.896 1.00 0.00 N ATOM 578 CA ALA A 43 9.587 -24.502 -4.422 1.00 0.00 C ATOM 579 C ALA A 43 9.708 -23.385 -3.391 1.00 0.00 C ATOM 580 O ALA A 43 8.724 -23.001 -2.758 1.00 0.00 O ATOM 581 CB ALA A 43 8.832 -25.685 -3.835 1.00 0.00 C ATOM 0 H ALA A 43 11.095 -24.682 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 43 9.028 -24.115 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.854 -25.355 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.704 -26.451 -4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.396 -26.098 -2.999 1.00 0.00 H new ATOM 587 N LEU A 44 10.921 -22.869 -3.226 1.00 0.00 N ATOM 588 CA LEU A 44 11.172 -21.796 -2.270 1.00 0.00 C ATOM 589 C LEU A 44 11.267 -20.447 -2.977 1.00 0.00 C ATOM 590 O LEU A 44 12.302 -20.106 -3.549 1.00 0.00 O ATOM 591 CB LEU A 44 12.462 -22.069 -1.493 1.00 0.00 C ATOM 592 CG LEU A 44 12.675 -23.512 -1.035 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.127 -23.736 -0.638 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.745 -23.849 0.121 1.00 0.00 C ATOM 0 H LEU A 44 11.746 -23.176 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 44 10.335 -21.762 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.307 -21.778 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.477 -21.424 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 44 12.440 -24.176 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.261 -24.768 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.773 -23.537 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.389 -23.063 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.911 -24.880 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.947 -23.180 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.710 -23.729 -0.198 1.00 0.00 H new ATOM 606 N LYS A 45 10.181 -19.683 -2.932 1.00 0.00 N ATOM 607 CA LYS A 45 10.142 -18.370 -3.565 1.00 0.00 C ATOM 608 C LYS A 45 10.765 -17.312 -2.661 1.00 0.00 C ATOM 609 O LYS A 45 10.302 -17.085 -1.544 1.00 0.00 O ATOM 610 CB LYS A 45 8.700 -17.985 -3.899 1.00 0.00 C ATOM 611 CG LYS A 45 7.981 -19.008 -4.763 1.00 0.00 C ATOM 612 CD LYS A 45 6.483 -18.758 -4.794 1.00 0.00 C ATOM 613 CE LYS A 45 5.766 -19.527 -3.694 1.00 0.00 C ATOM 614 NZ LYS A 45 6.184 -20.956 -3.654 1.00 0.00 N ATOM 0 H LYS A 45 9.315 -19.951 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 45 10.721 -18.422 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.144 -17.851 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.699 -17.024 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.378 -18.972 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.176 -20.010 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.289 -17.692 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.084 -19.053 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.973 -19.061 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.689 -19.468 -3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.527 -21.493 -3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.171 -21.349 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.146 -21.026 -3.265 1.00 0.00 H new ATOM 628 N GLY A 46 11.819 -16.666 -3.152 1.00 0.00 N ATOM 629 CA GLY A 46 12.487 -15.638 -2.376 1.00 0.00 C ATOM 630 C GLY A 46 13.094 -14.556 -3.247 1.00 0.00 C ATOM 631 O GLY A 46 12.573 -14.247 -4.318 1.00 0.00 O ATOM 0 H GLY A 46 12.222 -16.837 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.774 -15.187 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.270 -16.095 -1.771 1.00 0.00 H new ATOM 635 N TRP A 47 14.196 -13.977 -2.786 1.00 0.00 N ATOM 636 CA TRP A 47 14.873 -12.921 -3.531 1.00 0.00 C ATOM 637 C TRP A 47 16.388 -13.071 -3.433 1.00 0.00 C ATOM 638 O TRP A 47 16.910 -13.556 -2.429 1.00 0.00 O ATOM 639 CB TRP A 47 14.450 -11.548 -3.008 1.00 0.00 C ATOM 640 CG TRP A 47 12.967 -11.330 -3.044 1.00 0.00 C ATOM 641 CD1 TRP A 47 12.045 -11.824 -2.166 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.237 -10.562 -4.007 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.785 -11.411 -2.527 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.876 -10.635 -3.652 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.601 -9.820 -5.133 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.880 -9.993 -4.384 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.611 -9.184 -5.860 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.265 -9.273 -5.483 1.00 0.00 C ATOM 0 H TRP A 47 14.640 -14.220 -1.901 1.00 0.00 H new ATOM 0 HA TRP A 47 14.585 -13.008 -4.579 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.802 -11.433 -1.983 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.938 -10.775 -3.601 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.272 -12.447 -1.314 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.922 -11.645 -2.037 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.636 -9.744 -5.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.842 -10.061 -4.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.881 -8.609 -6.733 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.516 -8.764 -6.071 1.00 0.00 H new ATOM 659 N SER A 48 17.089 -12.651 -4.481 1.00 0.00 N ATOM 660 CA SER A 48 18.543 -12.743 -4.514 1.00 0.00 C ATOM 661 C SER A 48 19.177 -11.610 -3.713 1.00 0.00 C ATOM 662 O SER A 48 20.387 -11.388 -3.779 1.00 0.00 O ATOM 663 CB SER A 48 19.045 -12.704 -5.959 1.00 0.00 C ATOM 664 OG SER A 48 20.396 -13.125 -6.041 1.00 0.00 O ATOM 0 H SER A 48 16.673 -12.244 -5.319 1.00 0.00 H new ATOM 0 HA SER A 48 18.833 -13.691 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.422 -13.347 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.952 -11.692 -6.353 1.00 0.00 H new ATOM 0 HG SER A 48 20.910 -12.720 -5.311 1.00 0.00 H new ATOM 670 N CYS A 49 18.351 -10.895 -2.956 1.00 0.00 N ATOM 671 CA CYS A 49 18.828 -9.784 -2.142 1.00 0.00 C ATOM 672 C CYS A 49 19.024 -10.217 -0.692 1.00 0.00 C ATOM 673 O CYS A 49 20.023 -9.874 -0.059 1.00 0.00 O ATOM 674 CB CYS A 49 17.842 -8.616 -2.208 1.00 0.00 C ATOM 675 SG CYS A 49 16.110 -9.088 -1.902 1.00 0.00 S ATOM 0 H CYS A 49 17.348 -11.066 -2.890 1.00 0.00 H new ATOM 0 HA CYS A 49 19.790 -9.462 -2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.137 -7.864 -1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.912 -8.150 -3.191 1.00 0.00 H new ATOM 680 N CYS A 50 18.064 -10.974 -0.171 1.00 0.00 N ATOM 681 CA CYS A 50 18.129 -11.455 1.203 1.00 0.00 C ATOM 682 C CYS A 50 18.096 -12.980 1.248 1.00 0.00 C ATOM 683 O CYS A 50 18.014 -13.641 0.213 1.00 0.00 O ATOM 684 CB CYS A 50 16.969 -10.884 2.021 1.00 0.00 C ATOM 685 SG CYS A 50 15.380 -10.845 1.132 1.00 0.00 S ATOM 0 H CYS A 50 17.231 -11.268 -0.681 1.00 0.00 H new ATOM 0 HA CYS A 50 19.071 -11.117 1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.851 -11.477 2.928 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.223 -9.871 2.334 1.00 0.00 H new ATOM 690 N LYS A 51 18.159 -13.532 2.455 1.00 0.00 N ATOM 691 CA LYS A 51 18.133 -14.978 2.638 1.00 0.00 C ATOM 692 C LYS A 51 16.705 -15.478 2.828 1.00 0.00 C ATOM 693 O LYS A 51 16.427 -16.667 2.669 1.00 0.00 O ATOM 694 CB LYS A 51 18.990 -15.376 3.842 1.00 0.00 C ATOM 695 CG LYS A 51 20.280 -14.585 3.958 1.00 0.00 C ATOM 696 CD LYS A 51 21.259 -15.252 4.910 1.00 0.00 C ATOM 697 CE LYS A 51 22.158 -16.241 4.184 1.00 0.00 C ATOM 698 NZ LYS A 51 22.925 -15.591 3.087 1.00 0.00 N ATOM 0 H LYS A 51 18.229 -12.999 3.322 1.00 0.00 H new ATOM 0 HA LYS A 51 18.543 -15.440 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.407 -15.240 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.229 -16.437 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.738 -14.487 2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.059 -13.577 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.871 -14.492 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.709 -15.769 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.851 -16.691 4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.552 -17.049 3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.825 -16.093 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.370 -15.625 2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.117 -14.600 3.337 1.00 0.00 H new ATOM 712 N ARG A 52 15.803 -14.563 3.170 1.00 0.00 N ATOM 713 CA ARG A 52 14.403 -14.912 3.382 1.00 0.00 C ATOM 714 C ARG A 52 13.889 -15.806 2.258 1.00 0.00 C ATOM 715 O ARG A 52 13.984 -15.458 1.081 1.00 0.00 O ATOM 716 CB ARG A 52 13.549 -13.646 3.472 1.00 0.00 C ATOM 717 CG ARG A 52 12.053 -13.919 3.470 1.00 0.00 C ATOM 718 CD ARG A 52 11.642 -14.767 4.664 1.00 0.00 C ATOM 719 NE ARG A 52 10.195 -14.758 4.867 1.00 0.00 N ATOM 720 CZ ARG A 52 9.523 -13.706 5.322 1.00 0.00 C ATOM 721 NH1 ARG A 52 10.163 -12.584 5.617 1.00 0.00 N ATOM 722 NH2 ARG A 52 8.207 -13.776 5.480 1.00 0.00 N ATOM 0 H ARG A 52 16.017 -13.575 3.306 1.00 0.00 H new ATOM 0 HA ARG A 52 14.329 -15.460 4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.810 -13.106 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.792 -12.994 2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.509 -12.974 3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.776 -14.429 2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.981 -15.792 4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.137 -14.395 5.561 1.00 0.00 H new ATOM 0 HE ARG A 52 9.672 -15.606 4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.174 -12.526 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.645 -11.778 5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.711 -14.638 5.252 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.692 -12.968 5.829 1.00 0.00 H new ATOM 736 N ARG A 53 13.345 -16.961 2.629 1.00 0.00 N ATOM 737 CA ARG A 53 12.819 -17.906 1.652 1.00 0.00 C ATOM 738 C ARG A 53 11.550 -18.575 2.173 1.00 0.00 C ATOM 739 O ARG A 53 11.531 -19.121 3.277 1.00 0.00 O ATOM 740 CB ARG A 53 13.868 -18.968 1.320 1.00 0.00 C ATOM 741 CG ARG A 53 13.776 -19.491 -0.104 1.00 0.00 C ATOM 742 CD ARG A 53 14.597 -18.643 -1.063 1.00 0.00 C ATOM 743 NE ARG A 53 16.028 -18.728 -0.781 1.00 0.00 N ATOM 744 CZ ARG A 53 16.918 -17.850 -1.229 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.528 -16.827 -1.976 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.203 -17.994 -0.930 1.00 0.00 N ATOM 0 H ARG A 53 13.257 -17.264 3.599 1.00 0.00 H new ATOM 0 HA ARG A 53 12.573 -17.353 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.861 -18.548 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.759 -19.803 2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.127 -20.523 -0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.734 -19.498 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.409 -18.968 -2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.275 -17.604 -0.995 1.00 0.00 H new ATOM 0 HE ARG A 53 16.362 -19.504 -0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.542 -16.712 -2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.214 -16.155 -2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.508 -18.780 -0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.886 -17.319 -1.275 1.00 0.00 H new ATOM 760 N THR A 54 10.490 -18.529 1.371 1.00 0.00 N ATOM 761 CA THR A 54 9.217 -19.128 1.751 1.00 0.00 C ATOM 762 C THR A 54 8.615 -19.916 0.594 1.00 0.00 C ATOM 763 O THR A 54 8.851 -19.605 -0.574 1.00 0.00 O ATOM 764 CB THR A 54 8.208 -18.059 2.211 1.00 0.00 C ATOM 765 OG1 THR A 54 7.030 -18.688 2.726 1.00 0.00 O ATOM 766 CG2 THR A 54 7.835 -17.137 1.060 1.00 0.00 C ATOM 0 H THR A 54 10.489 -18.083 0.454 1.00 0.00 H new ATOM 0 HA THR A 54 9.420 -19.805 2.581 1.00 0.00 H new ATOM 0 HB THR A 54 8.674 -17.464 2.996 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.902 -18.427 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.121 -16.390 1.408 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.730 -16.638 0.689 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.386 -17.721 0.257 1.00 0.00 H new ATOM 774 N THR A 55 7.832 -20.939 0.925 1.00 0.00 N ATOM 775 CA THR A 55 7.194 -21.773 -0.086 1.00 0.00 C ATOM 776 C THR A 55 5.757 -21.332 -0.336 1.00 0.00 C ATOM 777 O THR A 55 5.193 -21.594 -1.398 1.00 0.00 O ATOM 778 CB THR A 55 7.200 -23.257 0.324 1.00 0.00 C ATOM 779 OG1 THR A 55 6.550 -23.418 1.590 1.00 0.00 O ATOM 780 CG2 THR A 55 8.622 -23.791 0.407 1.00 0.00 C ATOM 0 H THR A 55 7.625 -21.210 1.886 1.00 0.00 H new ATOM 0 HA THR A 55 7.772 -21.655 -1.003 1.00 0.00 H new ATOM 0 HB THR A 55 6.661 -23.823 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.556 -24.365 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.600 -24.841 0.698 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.104 -23.694 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.182 -23.221 1.148 1.00 0.00 H new ATOM 788 N ASP A 56 5.169 -20.661 0.649 1.00 0.00 N ATOM 789 CA ASP A 56 3.797 -20.181 0.535 1.00 0.00 C ATOM 790 C ASP A 56 3.733 -18.917 -0.317 1.00 0.00 C ATOM 791 O ASP A 56 4.120 -17.836 0.127 1.00 0.00 O ATOM 792 CB ASP A 56 3.214 -19.908 1.921 1.00 0.00 C ATOM 793 CG ASP A 56 1.697 -19.953 1.931 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.089 -19.623 0.893 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.121 -20.319 2.977 1.00 0.00 O ATOM 0 H ASP A 56 5.622 -20.437 1.535 1.00 0.00 H new ATOM 0 HA ASP A 56 3.205 -20.956 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.601 -20.644 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.548 -18.929 2.266 1.00 0.00 H new ATOM 800 N PHE A 57 3.240 -19.061 -1.543 1.00 0.00 N ATOM 801 CA PHE A 57 3.127 -17.931 -2.458 1.00 0.00 C ATOM 802 C PHE A 57 2.663 -16.678 -1.720 1.00 0.00 C ATOM 803 O PHE A 57 3.113 -15.571 -2.013 1.00 0.00 O ATOM 804 CB PHE A 57 2.150 -18.260 -3.590 1.00 0.00 C ATOM 805 CG PHE A 57 1.606 -17.045 -4.284 1.00 0.00 C ATOM 806 CD1 PHE A 57 2.411 -16.292 -5.123 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.290 -16.657 -4.099 1.00 0.00 C ATOM 808 CE1 PHE A 57 1.912 -15.172 -5.763 1.00 0.00 C ATOM 809 CE2 PHE A 57 -0.216 -15.539 -4.737 1.00 0.00 C ATOM 810 CZ PHE A 57 0.597 -14.796 -5.571 1.00 0.00 C ATOM 0 H PHE A 57 2.913 -19.948 -1.925 1.00 0.00 H new ATOM 0 HA PHE A 57 4.113 -17.739 -2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.654 -18.892 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.320 -18.840 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.439 -16.583 -5.279 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.350 -17.235 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.550 -14.592 -6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.245 -15.247 -4.584 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.205 -13.923 -6.072 1.00 0.00 H new ATOM 820 N SER A 58 1.760 -16.863 -0.763 1.00 0.00 N ATOM 821 CA SER A 58 1.231 -15.748 0.014 1.00 0.00 C ATOM 822 C SER A 58 2.325 -15.120 0.875 1.00 0.00 C ATOM 823 O SER A 58 2.389 -13.899 1.021 1.00 0.00 O ATOM 824 CB SER A 58 0.076 -16.218 0.900 1.00 0.00 C ATOM 825 OG SER A 58 -0.547 -15.123 1.549 1.00 0.00 O ATOM 0 H SER A 58 1.379 -17.774 -0.507 1.00 0.00 H new ATOM 0 HA SER A 58 0.862 -14.995 -0.682 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.657 -16.751 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.448 -16.922 1.644 1.00 0.00 H new ATOM 0 HG SER A 58 -1.283 -15.450 2.108 1.00 0.00 H new ATOM 831 N ASP A 59 3.179 -15.963 1.441 1.00 0.00 N ATOM 832 CA ASP A 59 4.271 -15.492 2.287 1.00 0.00 C ATOM 833 C ASP A 59 5.345 -14.802 1.452 1.00 0.00 C ATOM 834 O ASP A 59 5.896 -13.777 1.855 1.00 0.00 O ATOM 835 CB ASP A 59 4.882 -16.658 3.065 1.00 0.00 C ATOM 836 CG ASP A 59 3.898 -17.290 4.029 1.00 0.00 C ATOM 837 OD1 ASP A 59 2.806 -16.715 4.224 1.00 0.00 O ATOM 838 OD2 ASP A 59 4.217 -18.360 4.588 1.00 0.00 O ATOM 0 H ASP A 59 3.138 -16.976 1.330 1.00 0.00 H new ATOM 0 HA ASP A 59 3.865 -14.768 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.235 -17.414 2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.752 -16.305 3.618 1.00 0.00 H new ATOM 843 N PHE A 60 5.641 -15.371 0.288 1.00 0.00 N ATOM 844 CA PHE A 60 6.650 -14.812 -0.602 1.00 0.00 C ATOM 845 C PHE A 60 6.370 -13.340 -0.888 1.00 0.00 C ATOM 846 O PHE A 60 7.280 -12.511 -0.888 1.00 0.00 O ATOM 847 CB PHE A 60 6.696 -15.599 -1.914 1.00 0.00 C ATOM 848 CG PHE A 60 7.163 -14.784 -3.086 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.514 -14.582 -3.312 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.250 -14.218 -3.961 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.948 -13.833 -4.390 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.676 -13.468 -5.040 1.00 0.00 C ATOM 853 CZ PHE A 60 8.028 -13.274 -5.254 1.00 0.00 C ATOM 0 H PHE A 60 5.195 -16.220 -0.061 1.00 0.00 H new ATOM 0 HA PHE A 60 7.618 -14.889 -0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.358 -16.456 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.702 -15.992 -2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.238 -15.015 -2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.193 -14.365 -3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.005 -13.686 -4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.954 -13.034 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.364 -12.686 -6.096 1.00 0.00 H new ATOM 863 N LEU A 61 5.102 -13.023 -1.132 1.00 0.00 N ATOM 864 CA LEU A 61 4.700 -11.651 -1.421 1.00 0.00 C ATOM 865 C LEU A 61 4.683 -10.809 -0.149 1.00 0.00 C ATOM 866 O LEU A 61 4.606 -9.582 -0.205 1.00 0.00 O ATOM 867 CB LEU A 61 3.318 -11.632 -2.077 1.00 0.00 C ATOM 868 CG LEU A 61 3.075 -12.684 -3.159 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.590 -12.992 -3.280 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.634 -12.214 -4.495 1.00 0.00 C ATOM 0 H LEU A 61 4.336 -13.697 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 61 5.429 -11.222 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.566 -11.760 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.159 -10.646 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 61 3.593 -13.599 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.436 -13.743 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.218 -13.372 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.050 -12.083 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.452 -12.975 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.144 -11.285 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.707 -12.044 -4.401 1.00 0.00 H new ATOM 882 N SER A 62 4.757 -11.478 0.998 1.00 0.00 N ATOM 883 CA SER A 62 4.748 -10.791 2.285 1.00 0.00 C ATOM 884 C SER A 62 6.168 -10.456 2.730 1.00 0.00 C ATOM 885 O SER A 62 6.389 -9.486 3.457 1.00 0.00 O ATOM 886 CB SER A 62 4.061 -11.656 3.343 1.00 0.00 C ATOM 887 OG SER A 62 3.502 -10.855 4.370 1.00 0.00 O ATOM 0 H SER A 62 4.824 -12.494 1.062 1.00 0.00 H new ATOM 0 HA SER A 62 4.192 -9.861 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.278 -12.254 2.877 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.781 -12.353 3.772 1.00 0.00 H new ATOM 0 HG SER A 62 3.067 -11.430 5.034 1.00 0.00 H new ATOM 893 N ILE A 63 7.127 -11.264 2.290 1.00 0.00 N ATOM 894 CA ILE A 63 8.525 -11.053 2.642 1.00 0.00 C ATOM 895 C ILE A 63 8.852 -9.566 2.728 1.00 0.00 C ATOM 896 O ILE A 63 9.030 -8.898 1.709 1.00 0.00 O ATOM 897 CB ILE A 63 9.469 -11.716 1.622 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.326 -13.239 1.677 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.910 -11.304 1.887 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.878 -13.942 0.457 1.00 0.00 C ATOM 0 H ILE A 63 6.961 -12.071 1.689 1.00 0.00 H new ATOM 0 HA ILE A 63 8.677 -11.513 3.618 1.00 0.00 H new ATOM 0 HB ILE A 63 9.194 -11.380 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.838 -13.612 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.272 -13.493 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.565 -11.781 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.000 -10.221 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.198 -11.615 2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.743 -15.018 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.350 -13.597 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.940 -13.718 0.357 1.00 0.00 H new ATOM 912 N VAL A 64 8.931 -9.053 3.952 1.00 0.00 N ATOM 913 CA VAL A 64 9.240 -7.645 4.172 1.00 0.00 C ATOM 914 C VAL A 64 10.587 -7.276 3.562 1.00 0.00 C ATOM 915 O VAL A 64 11.559 -8.021 3.681 1.00 0.00 O ATOM 916 CB VAL A 64 9.257 -7.302 5.674 1.00 0.00 C ATOM 917 CG1 VAL A 64 10.042 -8.348 6.451 1.00 0.00 C ATOM 918 CG2 VAL A 64 9.839 -5.914 5.896 1.00 0.00 C ATOM 0 H VAL A 64 8.785 -9.591 4.806 1.00 0.00 H new ATOM 0 HA VAL A 64 8.454 -7.069 3.684 1.00 0.00 H new ATOM 0 HB VAL A 64 8.231 -7.304 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.043 -8.089 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.578 -9.325 6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.068 -8.380 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.844 -5.688 6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.859 -5.882 5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.232 -5.177 5.371 1.00 0.00 H new ATOM 928 N GLY A 65 10.639 -6.119 2.908 1.00 0.00 N ATOM 929 CA GLY A 65 11.872 -5.670 2.289 1.00 0.00 C ATOM 930 C GLY A 65 13.069 -5.816 3.209 1.00 0.00 C ATOM 931 O GLY A 65 12.962 -5.605 4.417 1.00 0.00 O ATOM 0 H GLY A 65 9.848 -5.485 2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.046 -6.241 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.768 -4.625 1.996 1.00 0.00 H new ATOM 935 N CYS A 66 14.212 -6.179 2.637 1.00 0.00 N ATOM 936 CA CYS A 66 15.434 -6.354 3.412 1.00 0.00 C ATOM 937 C CYS A 66 16.316 -5.112 3.326 1.00 0.00 C ATOM 938 O CYS A 66 17.292 -4.978 4.065 1.00 0.00 O ATOM 939 CB CYS A 66 16.207 -7.578 2.915 1.00 0.00 C ATOM 940 SG CYS A 66 16.789 -7.440 1.195 1.00 0.00 S ATOM 0 H CYS A 66 14.317 -6.358 1.638 1.00 0.00 H new ATOM 0 HA CYS A 66 15.155 -6.507 4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.066 -7.741 3.566 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.569 -8.458 3.002 1.00 0.00 H new ATOM 945 N THR A 67 15.965 -4.206 2.420 1.00 0.00 N ATOM 946 CA THR A 67 16.723 -2.975 2.236 1.00 0.00 C ATOM 947 C THR A 67 15.917 -1.760 2.681 1.00 0.00 C ATOM 948 O THR A 67 14.702 -1.840 2.863 1.00 0.00 O ATOM 949 CB THR A 67 17.142 -2.788 0.765 1.00 0.00 C ATOM 950 OG1 THR A 67 17.966 -3.882 0.348 1.00 0.00 O ATOM 951 CG2 THR A 67 17.896 -1.479 0.580 1.00 0.00 C ATOM 0 H THR A 67 15.160 -4.302 1.801 1.00 0.00 H new ATOM 0 HA THR A 67 17.617 -3.060 2.853 1.00 0.00 H new ATOM 0 HB THR A 67 16.240 -2.759 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.907 -3.611 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.182 -1.368 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.256 -0.646 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.791 -1.484 1.202 1.00 0.00 H new ATOM 959 N LYS A 68 16.601 -0.634 2.856 1.00 0.00 N ATOM 960 CA LYS A 68 15.950 0.600 3.278 1.00 0.00 C ATOM 961 C LYS A 68 16.299 1.749 2.339 1.00 0.00 C ATOM 962 O LYS A 68 17.418 1.835 1.836 1.00 0.00 O ATOM 963 CB LYS A 68 16.361 0.954 4.709 1.00 0.00 C ATOM 964 CG LYS A 68 15.535 0.248 5.772 1.00 0.00 C ATOM 965 CD LYS A 68 14.309 1.058 6.154 1.00 0.00 C ATOM 966 CE LYS A 68 13.514 0.378 7.258 1.00 0.00 C ATOM 967 NZ LYS A 68 14.400 -0.201 8.305 1.00 0.00 N ATOM 0 H LYS A 68 17.607 -0.551 2.712 1.00 0.00 H new ATOM 0 HA LYS A 68 14.872 0.442 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.412 0.700 4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.272 2.031 4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.226 -0.730 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.149 0.076 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.616 2.051 6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.674 1.195 5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.836 1.100 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.897 -0.411 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.848 -0.378 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.804 -1.096 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.169 0.466 8.517 1.00 0.00 H new ATOM 981 N GLY A 69 15.332 2.632 2.106 1.00 0.00 N ATOM 982 CA GLY A 69 15.559 3.766 1.228 1.00 0.00 C ATOM 983 C GLY A 69 14.327 4.636 1.076 1.00 0.00 C ATOM 984 O GLY A 69 13.464 4.660 1.952 1.00 0.00 O ATOM 0 H GLY A 69 14.396 2.582 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.379 4.368 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.869 3.406 0.247 1.00 0.00 H new ATOM 988 N ARG A 70 14.247 5.354 -0.040 1.00 0.00 N ATOM 989 CA ARG A 70 13.112 6.233 -0.302 1.00 0.00 C ATOM 990 C ARG A 70 12.160 5.603 -1.315 1.00 0.00 C ATOM 991 O ARG A 70 12.573 5.199 -2.403 1.00 0.00 O ATOM 992 CB ARG A 70 13.599 7.588 -0.818 1.00 0.00 C ATOM 993 CG ARG A 70 14.875 8.073 -0.147 1.00 0.00 C ATOM 994 CD ARG A 70 15.205 9.502 -0.547 1.00 0.00 C ATOM 995 NE ARG A 70 16.247 10.080 0.297 1.00 0.00 N ATOM 996 CZ ARG A 70 16.467 11.385 0.404 1.00 0.00 C ATOM 997 NH1 ARG A 70 15.722 12.244 -0.277 1.00 0.00 N ATOM 998 NH2 ARG A 70 17.435 11.834 1.193 1.00 0.00 N ATOM 0 H ARG A 70 14.953 5.345 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 70 12.574 6.380 0.634 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.767 7.519 -1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.814 8.329 -0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.764 8.013 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.702 7.417 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.529 9.521 -1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.305 10.114 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 70 16.839 9.446 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.977 11.903 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.893 13.246 -0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 70 18.011 11.176 1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.603 12.837 1.274 1.00 0.00 H new ATOM 1012 N HIS A 71 10.885 5.522 -0.949 1.00 0.00 N ATOM 1013 CA HIS A 71 9.875 4.942 -1.826 1.00 0.00 C ATOM 1014 C HIS A 71 10.014 5.479 -3.247 1.00 0.00 C ATOM 1015 O HIS A 71 10.184 6.680 -3.452 1.00 0.00 O ATOM 1016 CB HIS A 71 8.474 5.240 -1.291 1.00 0.00 C ATOM 1017 CG HIS A 71 8.241 4.730 0.098 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.632 3.522 0.365 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.543 5.271 1.302 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.568 3.343 1.672 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.113 4.390 2.264 1.00 0.00 N ATOM 0 H HIS A 71 10.527 5.850 -0.052 1.00 0.00 H new ATOM 0 HA HIS A 71 10.026 3.863 -1.849 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.310 6.318 -1.306 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.737 4.797 -1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.031 6.219 1.474 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.142 2.486 2.172 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.200 4.523 3.272 1.00 0.00 H new ATOM 1029 N ASN A 72 9.941 4.581 -4.224 1.00 0.00 N ATOM 1030 CA ASN A 72 10.060 4.965 -5.626 1.00 0.00 C ATOM 1031 C ASN A 72 8.691 5.276 -6.223 1.00 0.00 C ATOM 1032 O ASN A 72 7.870 4.380 -6.420 1.00 0.00 O ATOM 1033 CB ASN A 72 10.737 3.851 -6.426 1.00 0.00 C ATOM 1034 CG ASN A 72 9.854 2.628 -6.576 1.00 0.00 C ATOM 1035 OD1 ASN A 72 9.009 2.350 -5.723 1.00 0.00 O ATOM 1036 ND2 ASN A 72 10.043 1.890 -7.663 1.00 0.00 N ATOM 0 H ASN A 72 9.800 3.582 -4.071 1.00 0.00 H new ATOM 0 HA ASN A 72 10.673 5.865 -5.680 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.003 4.227 -7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.666 3.566 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.477 1.056 -7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.754 2.157 -8.344 1.00 0.00 H new ATOM 1043 N SER A 73 8.453 6.552 -6.510 1.00 0.00 N ATOM 1044 CA SER A 73 7.182 6.982 -7.082 1.00 0.00 C ATOM 1045 C SER A 73 7.165 6.763 -8.592 1.00 0.00 C ATOM 1046 O SER A 73 6.353 7.353 -9.305 1.00 0.00 O ATOM 1047 CB SER A 73 6.931 8.458 -6.767 1.00 0.00 C ATOM 1048 OG SER A 73 5.766 8.928 -7.423 1.00 0.00 O ATOM 0 H SER A 73 9.123 7.306 -6.356 1.00 0.00 H new ATOM 0 HA SER A 73 6.389 6.382 -6.636 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.824 8.590 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.791 9.051 -7.077 1.00 0.00 H new ATOM 0 HG SER A 73 5.620 8.410 -8.242 1.00 0.00 H new ATOM 1054 N GLU A 74 8.066 5.911 -9.071 1.00 0.00 N ATOM 1055 CA GLU A 74 8.155 5.615 -10.496 1.00 0.00 C ATOM 1056 C GLU A 74 8.476 4.141 -10.726 1.00 0.00 C ATOM 1057 O GLU A 74 9.427 3.604 -10.157 1.00 0.00 O ATOM 1058 CB GLU A 74 9.222 6.490 -11.156 1.00 0.00 C ATOM 1059 CG GLU A 74 8.962 7.980 -11.011 1.00 0.00 C ATOM 1060 CD GLU A 74 9.958 8.823 -11.785 1.00 0.00 C ATOM 1061 OE1 GLU A 74 10.986 8.271 -12.230 1.00 0.00 O ATOM 1062 OE2 GLU A 74 9.707 10.036 -11.947 1.00 0.00 O ATOM 0 H GLU A 74 8.744 5.414 -8.494 1.00 0.00 H new ATOM 0 HA GLU A 74 7.187 5.833 -10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.193 6.255 -10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.280 6.241 -12.216 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.954 8.205 -11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.004 8.252 -9.956 1.00 0.00 H new ATOM 1069 N LYS A 75 7.675 3.491 -11.564 1.00 0.00 N ATOM 1070 CA LYS A 75 7.872 2.079 -11.871 1.00 0.00 C ATOM 1071 C LYS A 75 8.762 1.908 -13.098 1.00 0.00 C ATOM 1072 O LYS A 75 8.445 2.459 -14.152 1.00 0.00 O ATOM 1073 CB LYS A 75 6.524 1.394 -12.106 1.00 0.00 C ATOM 1074 CG LYS A 75 5.460 2.321 -12.668 1.00 0.00 C ATOM 1075 CD LYS A 75 4.422 1.556 -13.472 1.00 0.00 C ATOM 1076 CE LYS A 75 3.787 0.446 -12.648 1.00 0.00 C ATOM 1077 NZ LYS A 75 4.695 -0.725 -12.502 1.00 0.00 N ATOM 0 H LYS A 75 6.883 3.920 -12.043 1.00 0.00 H new ATOM 0 HA LYS A 75 8.366 1.613 -11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.665 0.559 -12.792 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.169 0.976 -11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.970 2.852 -11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.930 3.074 -13.301 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.649 2.243 -13.817 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.889 1.130 -14.360 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.527 0.829 -11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.858 0.128 -13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.138 -1.602 -12.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.387 -0.726 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.195 -0.665 -11.592 1.00 0.00 H new TER 1091 LYS A 75 HETATM 1092 ZN ZN A 201 8.345 1.978 -0.512 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 15.224 -8.851 0.082 1.00 0.00 ZN