USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0218 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.162 USER MOD Single : A 7 THR OG1 : rot 150:sc= 1.26 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 12 MET CE :methyl 132:sc= -2.33! (180deg=-3.28!) USER MOD Single : A 13 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.63) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.504 K(o=-0.5,f=-1.5) USER MOD Single : A 28 SER OG : rot 81:sc= 1.27 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0651 (180deg=-0.295) USER MOD Single : A 33 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.17 K(o=-0.17,f=-1) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.252 K(o=-0.25,f=-0.86) USER MOD Single : A 48 THR OG1 : rot 61:sc= 0.509 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.0233 X(o=-0.023,f=-0.022) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.899 4.966 -18.101 1.00 0.00 N ATOM 2 CA GLY A 1 2.637 4.201 -18.132 1.00 0.00 C ATOM 3 C GLY A 1 1.464 5.026 -17.667 1.00 0.00 C ATOM 4 O GLY A 1 1.606 5.862 -16.766 1.00 0.00 O ATOM 0 H1 GLY A 1 4.649 4.382 -17.679 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.169 5.229 -19.070 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.769 5.827 -17.532 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.452 3.848 -19.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.733 3.318 -17.500 1.00 0.00 H new ATOM 10 N SER A 2 0.310 4.802 -18.274 1.00 0.00 N ATOM 11 CA SER A 2 -0.887 5.540 -17.935 1.00 0.00 C ATOM 12 C SER A 2 -1.541 4.981 -16.671 1.00 0.00 C ATOM 13 O SER A 2 -2.280 3.994 -16.713 1.00 0.00 O ATOM 14 CB SER A 2 -1.864 5.531 -19.114 1.00 0.00 C ATOM 15 OG SER A 2 -2.052 4.210 -19.614 1.00 0.00 O ATOM 0 H SER A 2 0.181 4.108 -19.010 1.00 0.00 H new ATOM 0 HA SER A 2 -0.608 6.573 -17.727 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.822 5.944 -18.799 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.486 6.174 -19.909 1.00 0.00 H new ATOM 0 HG SER A 2 -2.218 3.598 -18.867 1.00 0.00 H new ATOM 21 N ALA A 3 -1.241 5.604 -15.550 1.00 0.00 N ATOM 22 CA ALA A 3 -1.785 5.206 -14.270 1.00 0.00 C ATOM 23 C ALA A 3 -1.759 6.385 -13.322 1.00 0.00 C ATOM 24 O ALA A 3 -0.885 7.245 -13.427 1.00 0.00 O ATOM 25 CB ALA A 3 -0.992 4.042 -13.690 1.00 0.00 C ATOM 0 H ALA A 3 -0.610 6.404 -15.502 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.816 4.879 -14.408 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.416 3.757 -12.727 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.039 3.194 -14.373 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.047 4.341 -13.554 1.00 0.00 H new ATOM 31 N LEU A 4 -2.706 6.433 -12.404 1.00 0.00 N ATOM 32 CA LEU A 4 -2.763 7.528 -11.444 1.00 0.00 C ATOM 33 C LEU A 4 -1.751 7.309 -10.333 1.00 0.00 C ATOM 34 O LEU A 4 -1.265 8.262 -9.722 1.00 0.00 O ATOM 35 CB LEU A 4 -4.173 7.687 -10.848 1.00 0.00 C ATOM 36 CG LEU A 4 -4.620 6.616 -9.840 1.00 0.00 C ATOM 37 CD1 LEU A 4 -5.807 7.117 -9.034 1.00 0.00 C ATOM 38 CD2 LEU A 4 -4.986 5.317 -10.547 1.00 0.00 C ATOM 0 H LEU A 4 -3.442 5.735 -12.300 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.519 8.447 -11.977 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.228 8.659 -10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.890 7.702 -11.669 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.786 6.418 -9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.114 6.350 -8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.524 8.020 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.635 7.341 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.298 4.577 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.802 5.500 -11.246 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.119 4.943 -11.092 1.00 0.00 H new ATOM 50 N ASP A 5 -1.433 6.054 -10.072 1.00 0.00 N ATOM 51 CA ASP A 5 -0.452 5.710 -9.070 1.00 0.00 C ATOM 52 C ASP A 5 0.335 4.493 -9.518 1.00 0.00 C ATOM 53 O ASP A 5 -0.189 3.634 -10.232 1.00 0.00 O ATOM 54 CB ASP A 5 -1.112 5.436 -7.712 1.00 0.00 C ATOM 55 CG ASP A 5 -2.009 4.215 -7.715 1.00 0.00 C ATOM 56 OD1 ASP A 5 -3.207 4.354 -8.014 1.00 0.00 O ATOM 57 OD2 ASP A 5 -1.532 3.117 -7.382 1.00 0.00 O ATOM 0 H ASP A 5 -1.847 5.252 -10.548 1.00 0.00 H new ATOM 0 HA ASP A 5 0.223 6.558 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.335 5.305 -6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.698 6.307 -7.418 1.00 0.00 H new ATOM 62 N PHE A 6 1.591 4.435 -9.129 1.00 0.00 N ATOM 63 CA PHE A 6 2.455 3.321 -9.494 1.00 0.00 C ATOM 64 C PHE A 6 2.622 2.350 -8.326 1.00 0.00 C ATOM 65 O PHE A 6 2.884 1.164 -8.520 1.00 0.00 O ATOM 66 CB PHE A 6 3.828 3.836 -9.979 1.00 0.00 C ATOM 67 CG PHE A 6 4.616 4.596 -8.936 1.00 0.00 C ATOM 68 CD1 PHE A 6 4.256 5.885 -8.566 1.00 0.00 C ATOM 69 CD2 PHE A 6 5.717 4.015 -8.326 1.00 0.00 C ATOM 70 CE1 PHE A 6 4.978 6.573 -7.611 1.00 0.00 C ATOM 71 CE2 PHE A 6 6.441 4.700 -7.372 1.00 0.00 C ATOM 72 CZ PHE A 6 6.072 5.979 -7.013 1.00 0.00 C ATOM 0 H PHE A 6 2.043 5.148 -8.557 1.00 0.00 H new ATOM 0 HA PHE A 6 1.982 2.780 -10.313 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.422 2.987 -10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.675 4.482 -10.843 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.402 6.355 -9.030 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.012 3.013 -8.601 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.687 7.575 -7.332 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.297 4.234 -6.906 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.637 6.515 -6.265 1.00 0.00 H new ATOM 82 N THR A 7 2.458 2.862 -7.123 1.00 0.00 N ATOM 83 CA THR A 7 2.598 2.063 -5.923 1.00 0.00 C ATOM 84 C THR A 7 1.339 2.125 -5.070 1.00 0.00 C ATOM 85 O THR A 7 0.611 3.122 -5.089 1.00 0.00 O ATOM 86 CB THR A 7 3.807 2.513 -5.091 1.00 0.00 C ATOM 87 OG1 THR A 7 3.908 3.942 -5.114 1.00 0.00 O ATOM 88 CG2 THR A 7 5.094 1.893 -5.617 1.00 0.00 C ATOM 0 H THR A 7 2.225 3.840 -6.950 1.00 0.00 H new ATOM 0 HA THR A 7 2.757 1.033 -6.242 1.00 0.00 H new ATOM 0 HB THR A 7 3.661 2.176 -4.065 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.313 4.255 -4.278 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.934 2.229 -5.009 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.021 0.807 -5.567 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.249 2.199 -6.652 1.00 0.00 H new ATOM 96 N SER A 8 1.098 1.072 -4.310 1.00 0.00 N ATOM 97 CA SER A 8 -0.068 0.986 -3.448 1.00 0.00 C ATOM 98 C SER A 8 -0.050 2.069 -2.364 1.00 0.00 C ATOM 99 O SER A 8 -1.089 2.491 -1.883 1.00 0.00 O ATOM 100 CB SER A 8 -0.124 -0.403 -2.820 1.00 0.00 C ATOM 101 OG SER A 8 1.182 -0.850 -2.488 1.00 0.00 O ATOM 0 H SER A 8 1.704 0.253 -4.273 1.00 0.00 H new ATOM 0 HA SER A 8 -0.961 1.152 -4.051 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.745 -0.379 -1.925 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.590 -1.104 -3.513 1.00 0.00 H new ATOM 0 HG SER A 8 1.130 -1.742 -2.085 1.00 0.00 H new ATOM 107 N CYS A 9 1.134 2.527 -2.004 1.00 0.00 N ATOM 108 CA CYS A 9 1.266 3.541 -0.971 1.00 0.00 C ATOM 109 C CYS A 9 1.474 4.935 -1.542 1.00 0.00 C ATOM 110 O CYS A 9 1.810 5.859 -0.811 1.00 0.00 O ATOM 111 CB CYS A 9 2.388 3.188 -0.011 1.00 0.00 C ATOM 112 SG CYS A 9 1.945 1.894 1.180 1.00 0.00 S ATOM 0 H CYS A 9 2.017 2.215 -2.409 1.00 0.00 H new ATOM 0 HA CYS A 9 0.322 3.557 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.256 2.861 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.685 4.085 0.533 1.00 0.00 H new ATOM 117 N ALA A 10 1.261 5.093 -2.838 1.00 0.00 N ATOM 118 CA ALA A 10 1.412 6.396 -3.481 1.00 0.00 C ATOM 119 C ALA A 10 0.438 7.423 -2.890 1.00 0.00 C ATOM 120 O ALA A 10 0.733 8.623 -2.833 1.00 0.00 O ATOM 121 CB ALA A 10 1.215 6.274 -4.979 1.00 0.00 C ATOM 0 H ALA A 10 0.984 4.340 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 10 2.425 6.749 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.331 7.254 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.957 5.589 -5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.215 5.892 -5.185 1.00 0.00 H new ATOM 127 N ARG A 11 -0.716 6.943 -2.422 1.00 0.00 N ATOM 128 CA ARG A 11 -1.714 7.815 -1.824 1.00 0.00 C ATOM 129 C ARG A 11 -1.238 8.437 -0.513 1.00 0.00 C ATOM 130 O ARG A 11 -1.897 9.314 0.025 1.00 0.00 O ATOM 131 CB ARG A 11 -3.115 7.165 -1.687 1.00 0.00 C ATOM 132 CG ARG A 11 -3.167 5.763 -1.092 1.00 0.00 C ATOM 133 CD ARG A 11 -2.999 4.683 -2.152 1.00 0.00 C ATOM 134 NE ARG A 11 -3.802 4.946 -3.345 1.00 0.00 N ATOM 135 CZ ARG A 11 -3.510 4.476 -4.560 1.00 0.00 C ATOM 136 NH1 ARG A 11 -2.510 3.608 -4.720 1.00 0.00 N ATOM 137 NH2 ARG A 11 -4.242 4.840 -5.604 1.00 0.00 N ATOM 0 H ARG A 11 -0.977 5.957 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.840 8.630 -2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.734 7.818 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.572 7.131 -2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.383 5.659 -0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.119 5.622 -0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.948 4.613 -2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.282 3.718 -1.732 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.636 5.524 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.966 3.302 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.289 3.250 -5.649 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.027 5.479 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.020 4.481 -6.533 1.00 0.00 H new ATOM 151 N MET A 12 -0.082 7.978 0.008 1.00 0.00 N ATOM 152 CA MET A 12 0.511 8.586 1.216 1.00 0.00 C ATOM 153 C MET A 12 0.765 10.090 0.991 1.00 0.00 C ATOM 154 O MET A 12 1.065 10.825 1.925 1.00 0.00 O ATOM 155 CB MET A 12 1.853 7.915 1.600 1.00 0.00 C ATOM 156 CG MET A 12 3.012 8.287 0.672 1.00 0.00 C ATOM 157 SD MET A 12 4.649 8.006 1.404 1.00 0.00 S ATOM 158 CE MET A 12 4.611 6.245 1.703 1.00 0.00 C ATOM 0 H MET A 12 0.452 7.201 -0.381 1.00 0.00 H new ATOM 0 HA MET A 12 -0.202 8.438 2.027 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.111 8.197 2.621 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.724 6.833 1.591 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.930 7.708 -0.248 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.922 9.338 0.396 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.529 5.792 1.328 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.526 6.059 2.774 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.755 5.807 1.190 1.00 0.00 H new ATOM 168 N ASN A 13 0.638 10.531 -0.265 1.00 0.00 N ATOM 169 CA ASN A 13 0.889 11.918 -0.648 1.00 0.00 C ATOM 170 C ASN A 13 -0.409 12.592 -1.054 1.00 0.00 C ATOM 171 O ASN A 13 -0.400 13.626 -1.727 1.00 0.00 O ATOM 172 CB ASN A 13 1.837 11.951 -1.842 1.00 0.00 C ATOM 173 CG ASN A 13 3.166 11.316 -1.556 1.00 0.00 C ATOM 174 OD1 ASN A 13 3.751 11.520 -0.491 1.00 0.00 O ATOM 175 ND2 ASN A 13 3.634 10.503 -2.485 1.00 0.00 N ATOM 0 H ASN A 13 0.358 9.933 -1.043 1.00 0.00 H new ATOM 0 HA ASN A 13 1.326 12.440 0.203 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.370 11.439 -2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.993 12.986 -2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.516 10.012 -2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.114 10.366 -3.352 1.00 0.00 H new ATOM 182 N ASP A 14 -1.521 12.018 -0.644 1.00 0.00 N ATOM 183 CA ASP A 14 -2.824 12.519 -1.057 1.00 0.00 C ATOM 184 C ASP A 14 -3.563 13.153 0.119 1.00 0.00 C ATOM 185 O ASP A 14 -4.763 13.413 0.049 1.00 0.00 O ATOM 186 CB ASP A 14 -3.653 11.374 -1.656 1.00 0.00 C ATOM 187 CG ASP A 14 -4.782 11.866 -2.536 1.00 0.00 C ATOM 188 OD1 ASP A 14 -4.497 12.442 -3.601 1.00 0.00 O ATOM 189 OD2 ASP A 14 -5.959 11.655 -2.180 1.00 0.00 O ATOM 0 H ASP A 14 -1.553 11.206 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.677 13.289 -1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.000 10.725 -2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.065 10.769 -0.849 1.00 0.00 H new ATOM 194 N GLY A 15 -2.838 13.421 1.190 1.00 0.00 N ATOM 195 CA GLY A 15 -3.445 14.007 2.363 1.00 0.00 C ATOM 196 C GLY A 15 -3.655 12.994 3.466 1.00 0.00 C ATOM 197 O GLY A 15 -3.343 11.811 3.294 1.00 0.00 O ATOM 0 H GLY A 15 -1.837 13.243 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.814 14.816 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.403 14.449 2.091 1.00 0.00 H new ATOM 201 N ALA A 16 -4.160 13.460 4.604 1.00 0.00 N ATOM 202 CA ALA A 16 -4.450 12.604 5.761 1.00 0.00 C ATOM 203 C ALA A 16 -5.299 11.392 5.382 1.00 0.00 C ATOM 204 O ALA A 16 -5.075 10.284 5.878 1.00 0.00 O ATOM 205 CB ALA A 16 -5.150 13.415 6.844 1.00 0.00 C ATOM 0 H ALA A 16 -4.382 14.444 4.755 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.499 12.229 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.362 12.773 7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.505 14.236 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.084 13.817 6.451 1.00 0.00 H new ATOM 211 N LEU A 17 -6.258 11.599 4.496 1.00 0.00 N ATOM 212 CA LEU A 17 -7.131 10.523 4.062 1.00 0.00 C ATOM 213 C LEU A 17 -6.335 9.560 3.186 1.00 0.00 C ATOM 214 O LEU A 17 -6.457 8.344 3.311 1.00 0.00 O ATOM 215 CB LEU A 17 -8.334 11.088 3.287 1.00 0.00 C ATOM 216 CG LEU A 17 -9.678 10.350 3.460 1.00 0.00 C ATOM 217 CD1 LEU A 17 -9.575 8.894 3.042 1.00 0.00 C ATOM 218 CD2 LEU A 17 -10.167 10.462 4.894 1.00 0.00 C ATOM 0 H LEU A 17 -6.452 12.502 4.063 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.512 9.990 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.475 12.126 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.083 11.094 2.226 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.405 10.829 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.541 8.407 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.284 8.836 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.826 8.392 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.116 9.936 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.431 10.018 5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.305 11.512 5.150 1.00 0.00 H new ATOM 230 N GLY A 18 -5.488 10.125 2.334 1.00 0.00 N ATOM 231 CA GLY A 18 -4.657 9.327 1.456 1.00 0.00 C ATOM 232 C GLY A 18 -3.739 8.416 2.230 1.00 0.00 C ATOM 233 O GLY A 18 -3.599 7.245 1.894 1.00 0.00 O ATOM 0 H GLY A 18 -5.362 11.132 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.290 8.732 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.065 9.984 0.819 1.00 0.00 H new ATOM 237 N ALA A 19 -3.101 8.958 3.262 1.00 0.00 N ATOM 238 CA ALA A 19 -2.213 8.185 4.121 1.00 0.00 C ATOM 239 C ALA A 19 -2.946 7.011 4.753 1.00 0.00 C ATOM 240 O ALA A 19 -2.381 5.926 4.923 1.00 0.00 O ATOM 241 CB ALA A 19 -1.622 9.078 5.192 1.00 0.00 C ATOM 0 H ALA A 19 -3.184 9.940 3.525 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.406 7.784 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.960 8.492 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.056 9.883 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.424 9.502 5.795 1.00 0.00 H new ATOM 247 N LYS A 20 -4.213 7.228 5.079 1.00 0.00 N ATOM 248 CA LYS A 20 -5.032 6.198 5.692 1.00 0.00 C ATOM 249 C LYS A 20 -5.338 5.118 4.673 1.00 0.00 C ATOM 250 O LYS A 20 -5.319 3.926 4.988 1.00 0.00 O ATOM 251 CB LYS A 20 -6.333 6.802 6.223 1.00 0.00 C ATOM 252 CG LYS A 20 -6.653 6.424 7.663 1.00 0.00 C ATOM 253 CD LYS A 20 -5.590 6.939 8.628 1.00 0.00 C ATOM 254 CE LYS A 20 -5.466 8.453 8.569 1.00 0.00 C ATOM 255 NZ LYS A 20 -4.474 8.961 9.541 1.00 0.00 N ATOM 0 H LYS A 20 -4.695 8.114 4.927 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.486 5.760 6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.274 7.888 6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.156 6.483 5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.625 6.833 7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.727 5.340 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.841 6.633 9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.629 6.485 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.176 8.755 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.437 8.905 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.418 9.997 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.763 8.695 10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.542 8.549 9.333 1.00 0.00 H new ATOM 269 N VAL A 21 -5.620 5.547 3.448 1.00 0.00 N ATOM 270 CA VAL A 21 -5.866 4.625 2.356 1.00 0.00 C ATOM 271 C VAL A 21 -4.602 3.830 2.062 1.00 0.00 C ATOM 272 O VAL A 21 -4.645 2.617 1.882 1.00 0.00 O ATOM 273 CB VAL A 21 -6.306 5.369 1.066 1.00 0.00 C ATOM 274 CG1 VAL A 21 -6.568 4.380 -0.059 1.00 0.00 C ATOM 275 CG2 VAL A 21 -7.539 6.217 1.324 1.00 0.00 C ATOM 0 H VAL A 21 -5.683 6.532 3.190 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.673 3.958 2.661 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.494 6.031 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.875 4.920 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.658 3.818 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.359 3.692 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.828 6.728 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.357 5.578 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.318 6.954 2.096 1.00 0.00 H new ATOM 285 N ALA A 22 -3.475 4.536 2.047 1.00 0.00 N ATOM 286 CA ALA A 22 -2.178 3.941 1.772 1.00 0.00 C ATOM 287 C ALA A 22 -1.863 2.830 2.752 1.00 0.00 C ATOM 288 O ALA A 22 -1.599 1.696 2.352 1.00 0.00 O ATOM 289 CB ALA A 22 -1.088 5.005 1.827 1.00 0.00 C ATOM 0 H ALA A 22 -3.439 5.540 2.226 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.213 3.512 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.121 4.547 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.292 5.774 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.070 5.456 2.819 1.00 0.00 H new ATOM 295 N GLN A 23 -1.903 3.156 4.039 1.00 0.00 N ATOM 296 CA GLN A 23 -1.588 2.188 5.067 1.00 0.00 C ATOM 297 C GLN A 23 -2.551 1.005 5.010 1.00 0.00 C ATOM 298 O GLN A 23 -2.136 -0.137 5.115 1.00 0.00 O ATOM 299 CB GLN A 23 -1.580 2.836 6.461 1.00 0.00 C ATOM 300 CG GLN A 23 -2.948 3.116 7.040 1.00 0.00 C ATOM 301 CD GLN A 23 -2.875 3.788 8.394 1.00 0.00 C ATOM 302 OE1 GLN A 23 -2.824 5.014 8.495 1.00 0.00 O ATOM 303 NE2 GLN A 23 -2.870 2.996 9.441 1.00 0.00 N ATOM 0 H GLN A 23 -2.150 4.082 4.388 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.583 1.812 4.878 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.038 2.184 7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.025 3.773 6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.508 3.750 6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.499 2.180 7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.914 1.985 9.316 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.823 3.392 10.380 1.00 0.00 H new ATOM 312 N ALA A 24 -3.833 1.290 4.795 1.00 0.00 N ATOM 313 CA ALA A 24 -4.852 0.248 4.732 1.00 0.00 C ATOM 314 C ALA A 24 -4.607 -0.674 3.551 1.00 0.00 C ATOM 315 O ALA A 24 -4.633 -1.902 3.690 1.00 0.00 O ATOM 316 CB ALA A 24 -6.237 0.867 4.633 1.00 0.00 C ATOM 0 H ALA A 24 -4.190 2.236 4.661 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.793 -0.341 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.986 0.077 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.420 1.490 5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.299 1.479 3.733 1.00 0.00 H new ATOM 322 N ALA A 25 -4.363 -0.077 2.394 1.00 0.00 N ATOM 323 CA ALA A 25 -4.092 -0.830 1.181 1.00 0.00 C ATOM 324 C ALA A 25 -2.827 -1.653 1.338 1.00 0.00 C ATOM 325 O ALA A 25 -2.746 -2.786 0.850 1.00 0.00 O ATOM 326 CB ALA A 25 -3.973 0.105 -0.013 1.00 0.00 C ATOM 0 H ALA A 25 -4.347 0.935 2.271 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.926 -1.509 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.770 -0.477 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.906 0.654 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.158 0.808 0.156 1.00 0.00 H new ATOM 332 N CYS A 26 -1.855 -1.092 2.043 1.00 0.00 N ATOM 333 CA CYS A 26 -0.584 -1.751 2.267 1.00 0.00 C ATOM 334 C CYS A 26 -0.751 -2.932 3.216 1.00 0.00 C ATOM 335 O CYS A 26 -0.352 -4.049 2.900 1.00 0.00 O ATOM 336 CB CYS A 26 0.434 -0.761 2.835 1.00 0.00 C ATOM 337 SG CYS A 26 2.105 -1.444 3.025 1.00 0.00 S ATOM 0 H CYS A 26 -1.928 -0.170 2.473 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.218 -2.124 1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.481 0.110 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.083 -0.412 3.806 1.00 0.00 H new ATOM 342 N ILE A 27 -1.384 -2.684 4.366 1.00 0.00 N ATOM 343 CA ILE A 27 -1.604 -3.725 5.362 1.00 0.00 C ATOM 344 C ILE A 27 -2.335 -4.901 4.738 1.00 0.00 C ATOM 345 O ILE A 27 -1.912 -6.050 4.877 1.00 0.00 O ATOM 346 CB ILE A 27 -2.429 -3.194 6.563 1.00 0.00 C ATOM 347 CG1 ILE A 27 -1.681 -2.058 7.271 1.00 0.00 C ATOM 348 CG2 ILE A 27 -2.751 -4.323 7.542 1.00 0.00 C ATOM 349 CD1 ILE A 27 -2.500 -1.339 8.319 1.00 0.00 C ATOM 0 H ILE A 27 -1.752 -1.769 4.626 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.627 -4.045 5.724 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.370 -2.798 6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.785 -2.465 7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.350 -1.335 6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.330 -3.927 8.376 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.330 -5.093 7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.823 -4.755 7.917 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.899 -0.551 8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.383 -0.900 7.853 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.809 -2.047 9.088 1.00 0.00 H new ATOM 361 N SER A 28 -3.412 -4.606 4.023 1.00 0.00 N ATOM 362 CA SER A 28 -4.198 -5.631 3.367 1.00 0.00 C ATOM 363 C SER A 28 -3.344 -6.416 2.362 1.00 0.00 C ATOM 364 O SER A 28 -3.343 -7.647 2.370 1.00 0.00 O ATOM 365 CB SER A 28 -5.401 -4.997 2.673 1.00 0.00 C ATOM 366 OG SER A 28 -6.116 -4.147 3.570 1.00 0.00 O ATOM 0 H SER A 28 -3.760 -3.657 3.885 1.00 0.00 H new ATOM 0 HA SER A 28 -4.555 -6.333 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.067 -4.422 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.064 -5.778 2.299 1.00 0.00 H new ATOM 0 HG SER A 28 -5.670 -3.276 3.621 1.00 0.00 H new ATOM 372 N SER A 29 -2.594 -5.691 1.526 1.00 0.00 N ATOM 373 CA SER A 29 -1.731 -6.309 0.519 1.00 0.00 C ATOM 374 C SER A 29 -0.705 -7.222 1.183 1.00 0.00 C ATOM 375 O SER A 29 -0.377 -8.296 0.665 1.00 0.00 O ATOM 376 CB SER A 29 -1.024 -5.223 -0.311 1.00 0.00 C ATOM 377 OG SER A 29 -0.276 -5.785 -1.378 1.00 0.00 O ATOM 0 H SER A 29 -2.569 -4.671 1.529 1.00 0.00 H new ATOM 0 HA SER A 29 -2.349 -6.912 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.764 -4.530 -0.710 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.362 -4.645 0.334 1.00 0.00 H new ATOM 0 HG SER A 29 0.159 -5.068 -1.886 1.00 0.00 H new ATOM 383 N CYS A 30 -0.211 -6.795 2.331 1.00 0.00 N ATOM 384 CA CYS A 30 0.745 -7.569 3.083 1.00 0.00 C ATOM 385 C CYS A 30 0.103 -8.843 3.604 1.00 0.00 C ATOM 386 O CYS A 30 0.663 -9.926 3.489 1.00 0.00 O ATOM 387 CB CYS A 30 1.306 -6.729 4.222 1.00 0.00 C ATOM 388 SG CYS A 30 2.330 -5.338 3.658 1.00 0.00 S ATOM 0 H CYS A 30 -0.463 -5.906 2.762 1.00 0.00 H new ATOM 0 HA CYS A 30 1.569 -7.856 2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.480 -6.343 4.820 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.901 -7.367 4.875 1.00 0.00 H new ATOM 393 N LYS A 31 -1.076 -8.708 4.164 1.00 0.00 N ATOM 394 CA LYS A 31 -1.820 -9.843 4.680 1.00 0.00 C ATOM 395 C LYS A 31 -2.100 -10.875 3.582 1.00 0.00 C ATOM 396 O LYS A 31 -2.018 -12.081 3.827 1.00 0.00 O ATOM 397 CB LYS A 31 -3.106 -9.352 5.324 1.00 0.00 C ATOM 398 CG LYS A 31 -2.846 -8.465 6.533 1.00 0.00 C ATOM 399 CD LYS A 31 -4.011 -7.542 6.826 1.00 0.00 C ATOM 400 CE LYS A 31 -5.278 -8.305 7.129 1.00 0.00 C ATOM 401 NZ LYS A 31 -5.090 -9.290 8.227 1.00 0.00 N ATOM 0 H LYS A 31 -1.550 -7.812 4.277 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.217 -10.346 5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.689 -8.798 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.708 -10.209 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.651 -9.090 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.949 -7.871 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.762 -6.903 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.178 -6.887 5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.066 -7.604 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.612 -8.824 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.018 -9.630 8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.528 -10.094 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.592 -8.836 9.019 1.00 0.00 H new ATOM 415 N PHE A 32 -2.416 -10.401 2.373 1.00 0.00 N ATOM 416 CA PHE A 32 -2.627 -11.285 1.229 1.00 0.00 C ATOM 417 C PHE A 32 -1.394 -12.157 0.957 1.00 0.00 C ATOM 418 O PHE A 32 -1.520 -13.321 0.583 1.00 0.00 O ATOM 419 CB PHE A 32 -2.954 -10.471 -0.026 1.00 0.00 C ATOM 420 CG PHE A 32 -4.392 -10.044 -0.154 1.00 0.00 C ATOM 421 CD1 PHE A 32 -5.375 -10.966 -0.466 1.00 0.00 C ATOM 422 CD2 PHE A 32 -4.755 -8.720 0.020 1.00 0.00 C ATOM 423 CE1 PHE A 32 -6.692 -10.574 -0.600 1.00 0.00 C ATOM 424 CE2 PHE A 32 -6.070 -8.323 -0.115 1.00 0.00 C ATOM 425 CZ PHE A 32 -7.039 -9.251 -0.424 1.00 0.00 C ATOM 0 H PHE A 32 -2.531 -9.409 2.164 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.467 -11.935 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.325 -9.581 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.687 -11.061 -0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.109 -12.003 -0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.000 -7.988 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.451 -11.304 -0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.338 -7.286 0.022 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.069 -8.943 -0.528 1.00 0.00 H new ATOM 435 N GLN A 33 -0.209 -11.597 1.170 1.00 0.00 N ATOM 436 CA GLN A 33 1.035 -12.320 0.906 1.00 0.00 C ATOM 437 C GLN A 33 1.586 -12.957 2.181 1.00 0.00 C ATOM 438 O GLN A 33 2.745 -13.367 2.230 1.00 0.00 O ATOM 439 CB GLN A 33 2.074 -11.384 0.267 1.00 0.00 C ATOM 440 CG GLN A 33 2.433 -10.182 1.116 1.00 0.00 C ATOM 441 CD GLN A 33 3.267 -9.164 0.372 1.00 0.00 C ATOM 442 OE1 GLN A 33 4.494 -9.230 0.370 1.00 0.00 O ATOM 443 NE2 GLN A 33 2.606 -8.206 -0.250 1.00 0.00 N ATOM 0 H GLN A 33 -0.081 -10.649 1.523 1.00 0.00 H new ATOM 0 HA GLN A 33 0.817 -13.124 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.981 -11.953 0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.691 -11.036 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.518 -9.706 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.979 -10.517 1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.587 -8.189 -0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.115 -7.482 -0.758 1.00 0.00 H new ATOM 452 N ASN A 34 0.735 -13.032 3.205 1.00 0.00 N ATOM 453 CA ASN A 34 1.078 -13.655 4.492 1.00 0.00 C ATOM 454 C ASN A 34 2.117 -12.836 5.252 1.00 0.00 C ATOM 455 O ASN A 34 3.154 -13.348 5.690 1.00 0.00 O ATOM 456 CB ASN A 34 1.548 -15.112 4.319 1.00 0.00 C ATOM 457 CG ASN A 34 1.674 -15.847 5.650 1.00 0.00 C ATOM 458 OD1 ASN A 34 0.954 -15.553 6.610 1.00 0.00 O ATOM 459 ND2 ASN A 34 2.578 -16.806 5.713 1.00 0.00 N ATOM 0 H ASN A 34 -0.215 -12.663 3.169 1.00 0.00 H new ATOM 0 HA ASN A 34 0.164 -13.673 5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.844 -15.644 3.679 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.512 -15.122 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.701 -17.335 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.153 -17.019 4.898 1.00 0.00 H new ATOM 466 N CYS A 35 1.854 -11.560 5.374 1.00 0.00 N ATOM 467 CA CYS A 35 2.696 -10.681 6.141 1.00 0.00 C ATOM 468 C CYS A 35 1.902 -10.091 7.294 1.00 0.00 C ATOM 469 O CYS A 35 0.777 -9.622 7.108 1.00 0.00 O ATOM 470 CB CYS A 35 3.286 -9.589 5.259 1.00 0.00 C ATOM 471 SG CYS A 35 4.503 -10.187 4.034 1.00 0.00 S ATOM 0 H CYS A 35 1.050 -11.102 4.944 1.00 0.00 H new ATOM 0 HA CYS A 35 3.529 -11.253 6.550 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.475 -9.086 4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.764 -8.844 5.895 1.00 0.00 H new ATOM 476 N GLY A 36 2.497 -10.125 8.475 1.00 0.00 N ATOM 477 CA GLY A 36 1.829 -9.691 9.695 1.00 0.00 C ATOM 478 C GLY A 36 1.334 -8.265 9.653 1.00 0.00 C ATOM 479 O GLY A 36 0.214 -7.981 10.071 1.00 0.00 O ATOM 0 H GLY A 36 3.453 -10.452 8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.984 -10.352 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.518 -9.801 10.532 1.00 0.00 H new ATOM 483 N THR A 37 2.152 -7.366 9.151 1.00 0.00 N ATOM 484 CA THR A 37 1.762 -5.976 9.099 1.00 0.00 C ATOM 485 C THR A 37 2.501 -5.231 7.998 1.00 0.00 C ATOM 486 O THR A 37 3.671 -5.499 7.723 1.00 0.00 O ATOM 487 CB THR A 37 1.996 -5.279 10.468 1.00 0.00 C ATOM 488 OG1 THR A 37 1.534 -3.921 10.428 1.00 0.00 O ATOM 489 CG2 THR A 37 3.470 -5.310 10.850 1.00 0.00 C ATOM 0 H THR A 37 3.079 -7.569 8.778 1.00 0.00 H new ATOM 0 HA THR A 37 0.696 -5.948 8.872 1.00 0.00 H new ATOM 0 HB THR A 37 1.429 -5.826 11.221 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.687 -3.498 11.298 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.607 -4.816 11.812 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.805 -6.345 10.922 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.054 -4.792 10.089 1.00 0.00 H new ATOM 497 N GLY A 38 1.792 -4.338 7.341 1.00 0.00 N ATOM 498 CA GLY A 38 2.386 -3.541 6.305 1.00 0.00 C ATOM 499 C GLY A 38 2.377 -2.081 6.644 1.00 0.00 C ATOM 500 O GLY A 38 1.518 -1.616 7.396 1.00 0.00 O ATOM 0 H GLY A 38 0.804 -4.150 7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.412 -3.868 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.846 -3.700 5.371 1.00 0.00 H new ATOM 504 N HIS A 39 3.326 -1.356 6.109 1.00 0.00 N ATOM 505 CA HIS A 39 3.401 0.064 6.328 1.00 0.00 C ATOM 506 C HIS A 39 4.018 0.733 5.126 1.00 0.00 C ATOM 507 O HIS A 39 4.836 0.140 4.422 1.00 0.00 O ATOM 508 CB HIS A 39 4.178 0.406 7.618 1.00 0.00 C ATOM 509 CG HIS A 39 5.654 0.140 7.570 1.00 0.00 C ATOM 510 ND1 HIS A 39 6.236 -0.999 8.082 1.00 0.00 N ATOM 511 CD2 HIS A 39 6.667 0.891 7.088 1.00 0.00 C ATOM 512 CE1 HIS A 39 7.540 -0.936 7.916 1.00 0.00 C ATOM 513 NE2 HIS A 39 7.830 0.202 7.317 1.00 0.00 N ATOM 0 H HIS A 39 4.064 -1.731 5.513 1.00 0.00 H new ATOM 0 HA HIS A 39 2.388 0.443 6.462 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.023 1.461 7.846 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.750 -0.165 8.442 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.578 1.856 6.611 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.252 -1.689 8.219 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.766 0.518 7.065 1.00 0.00 H new ATOM 522 N CYS A 40 3.640 1.948 4.891 1.00 0.00 N ATOM 523 CA CYS A 40 4.132 2.668 3.756 1.00 0.00 C ATOM 524 C CYS A 40 5.449 3.327 4.083 1.00 0.00 C ATOM 525 O CYS A 40 5.567 4.051 5.072 1.00 0.00 O ATOM 526 CB CYS A 40 3.108 3.685 3.302 1.00 0.00 C ATOM 527 SG CYS A 40 1.515 2.940 2.861 1.00 0.00 S ATOM 0 H CYS A 40 2.986 2.469 5.475 1.00 0.00 H new ATOM 0 HA CYS A 40 4.302 1.969 2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.953 4.416 4.096 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.500 4.227 2.441 1.00 0.00 H new ATOM 532 N GLU A 41 6.446 3.064 3.269 1.00 0.00 N ATOM 533 CA GLU A 41 7.749 3.626 3.492 1.00 0.00 C ATOM 534 C GLU A 41 8.335 4.142 2.186 1.00 0.00 C ATOM 535 O GLU A 41 8.114 3.560 1.123 1.00 0.00 O ATOM 536 CB GLU A 41 8.673 2.583 4.132 1.00 0.00 C ATOM 537 CG GLU A 41 10.003 3.143 4.600 1.00 0.00 C ATOM 538 CD GLU A 41 9.829 4.400 5.419 1.00 0.00 C ATOM 539 OE1 GLU A 41 9.509 4.296 6.619 1.00 0.00 O ATOM 540 OE2 GLU A 41 9.993 5.497 4.856 1.00 0.00 O ATOM 0 H GLU A 41 6.375 2.464 2.447 1.00 0.00 H new ATOM 0 HA GLU A 41 7.656 4.468 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.161 2.131 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.859 1.786 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.524 2.392 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.631 3.357 3.735 1.00 0.00 H new ATOM 547 N ARG A 42 9.069 5.233 2.262 1.00 0.00 N ATOM 548 CA ARG A 42 9.666 5.810 1.088 1.00 0.00 C ATOM 549 C ARG A 42 11.016 5.220 0.833 1.00 0.00 C ATOM 550 O ARG A 42 11.948 5.381 1.619 1.00 0.00 O ATOM 551 CB ARG A 42 9.764 7.320 1.191 1.00 0.00 C ATOM 552 CG ARG A 42 8.430 8.012 1.112 1.00 0.00 C ATOM 553 CD ARG A 42 8.595 9.512 1.002 1.00 0.00 C ATOM 554 NE ARG A 42 9.084 9.910 -0.321 1.00 0.00 N ATOM 555 CZ ARG A 42 9.468 11.157 -0.637 1.00 0.00 C ATOM 556 NH1 ARG A 42 9.512 12.095 0.298 1.00 0.00 N ATOM 557 NH2 ARG A 42 9.812 11.454 -1.887 1.00 0.00 N ATOM 0 H ARG A 42 9.263 5.734 3.129 1.00 0.00 H new ATOM 0 HA ARG A 42 9.015 5.574 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 42 10.246 7.582 2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.405 7.691 0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.876 7.641 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.841 7.773 1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.639 9.998 1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.291 9.858 1.766 1.00 0.00 H new ATOM 0 HE ARG A 42 9.136 9.195 -1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.254 11.870 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.804 13.042 0.057 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.784 10.733 -2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.103 12.402 -2.124 1.00 0.00 H new ATOM 571 N ARG A 43 11.110 4.533 -0.260 1.00 0.00 N ATOM 572 CA ARG A 43 12.331 3.882 -0.664 1.00 0.00 C ATOM 573 C ARG A 43 12.942 4.641 -1.818 1.00 0.00 C ATOM 574 O ARG A 43 12.455 4.561 -2.947 1.00 0.00 O ATOM 575 CB ARG A 43 12.043 2.435 -1.070 1.00 0.00 C ATOM 576 CG ARG A 43 11.431 1.595 0.044 1.00 0.00 C ATOM 577 CD ARG A 43 12.374 1.481 1.227 1.00 0.00 C ATOM 578 NE ARG A 43 11.784 0.737 2.341 1.00 0.00 N ATOM 579 CZ ARG A 43 12.356 -0.322 2.928 1.00 0.00 C ATOM 580 NH1 ARG A 43 13.509 -0.797 2.473 1.00 0.00 N ATOM 581 NH2 ARG A 43 11.774 -0.903 3.971 1.00 0.00 N ATOM 0 H ARG A 43 10.335 4.402 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 43 13.033 3.872 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.368 2.435 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.972 1.967 -1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.491 2.043 0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.196 0.600 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.292 0.987 0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.650 2.480 1.566 1.00 0.00 H new ATOM 0 HE ARG A 43 10.878 1.045 2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.963 -0.355 1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.941 -1.604 2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.889 -0.543 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.212 -1.709 4.416 1.00 0.00 H new ATOM 595 N GLY A 44 13.985 5.400 -1.530 1.00 0.00 N ATOM 596 CA GLY A 44 14.605 6.217 -2.548 1.00 0.00 C ATOM 597 C GLY A 44 13.627 7.230 -3.094 1.00 0.00 C ATOM 598 O GLY A 44 13.435 7.335 -4.305 1.00 0.00 O ATOM 0 H GLY A 44 14.414 5.465 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.471 6.730 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.969 5.584 -3.357 1.00 0.00 H new ATOM 602 N GLY A 45 12.993 7.974 -2.190 1.00 0.00 N ATOM 603 CA GLY A 45 11.991 8.945 -2.584 1.00 0.00 C ATOM 604 C GLY A 45 10.711 8.322 -3.130 1.00 0.00 C ATOM 605 O GLY A 45 9.763 9.033 -3.450 1.00 0.00 O ATOM 0 H GLY A 45 13.159 7.919 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.743 9.567 -1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.415 9.604 -3.342 1.00 0.00 H new ATOM 609 N ARG A 46 10.678 7.007 -3.236 1.00 0.00 N ATOM 610 CA ARG A 46 9.522 6.317 -3.791 1.00 0.00 C ATOM 611 C ARG A 46 8.637 5.715 -2.708 1.00 0.00 C ATOM 612 O ARG A 46 9.046 4.792 -2.007 1.00 0.00 O ATOM 613 CB ARG A 46 9.965 5.244 -4.785 1.00 0.00 C ATOM 614 CG ARG A 46 10.765 5.787 -5.969 1.00 0.00 C ATOM 615 CD ARG A 46 9.915 6.673 -6.882 1.00 0.00 C ATOM 616 NE ARG A 46 9.497 7.917 -6.223 1.00 0.00 N ATOM 617 CZ ARG A 46 8.558 8.738 -6.688 1.00 0.00 C ATOM 618 NH1 ARG A 46 8.000 8.513 -7.873 1.00 0.00 N ATOM 619 NH2 ARG A 46 8.188 9.794 -5.971 1.00 0.00 N ATOM 0 H ARG A 46 11.438 6.392 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 46 8.923 7.060 -4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.569 4.504 -4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.083 4.726 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.615 6.360 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.168 4.954 -6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.482 6.914 -7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.032 6.120 -7.201 1.00 0.00 H new ATOM 0 HE ARG A 46 9.958 8.169 -5.349 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.291 7.709 -8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.281 9.144 -8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.623 9.974 -5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.469 10.424 -6.325 1.00 0.00 H new ATOM 633 N PRO A 47 7.413 6.238 -2.545 1.00 0.00 N ATOM 634 CA PRO A 47 6.459 5.717 -1.566 1.00 0.00 C ATOM 635 C PRO A 47 6.050 4.293 -1.902 1.00 0.00 C ATOM 636 O PRO A 47 5.271 4.059 -2.822 1.00 0.00 O ATOM 637 CB PRO A 47 5.263 6.659 -1.691 1.00 0.00 C ATOM 638 CG PRO A 47 5.394 7.274 -3.037 1.00 0.00 C ATOM 639 CD PRO A 47 6.863 7.378 -3.294 1.00 0.00 C ATOM 0 HA PRO A 47 6.874 5.680 -0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.322 6.117 -1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.275 7.417 -0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.906 6.662 -3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.921 8.256 -3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.092 7.310 -4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.268 8.326 -2.940 1.00 0.00 H new ATOM 647 N THR A 48 6.583 3.350 -1.169 1.00 0.00 N ATOM 648 CA THR A 48 6.336 1.956 -1.434 1.00 0.00 C ATOM 649 C THR A 48 5.693 1.286 -0.221 1.00 0.00 C ATOM 650 O THR A 48 5.841 1.758 0.907 1.00 0.00 O ATOM 651 CB THR A 48 7.668 1.247 -1.764 1.00 0.00 C ATOM 652 OG1 THR A 48 8.462 2.095 -2.604 1.00 0.00 O ATOM 653 CG2 THR A 48 7.430 -0.075 -2.477 1.00 0.00 C ATOM 0 H THR A 48 7.198 3.525 -0.375 1.00 0.00 H new ATOM 0 HA THR A 48 5.656 1.878 -2.282 1.00 0.00 H new ATOM 0 HB THR A 48 8.186 1.045 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.663 2.929 -2.130 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.387 -0.548 -2.695 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.838 -0.731 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.894 0.106 -3.409 1.00 0.00 H new ATOM 661 N CYS A 49 4.971 0.214 -0.456 1.00 0.00 N ATOM 662 CA CYS A 49 4.373 -0.546 0.621 1.00 0.00 C ATOM 663 C CYS A 49 5.334 -1.628 1.059 1.00 0.00 C ATOM 664 O CYS A 49 5.640 -2.545 0.292 1.00 0.00 O ATOM 665 CB CYS A 49 3.050 -1.172 0.163 1.00 0.00 C ATOM 666 SG CYS A 49 2.397 -2.442 1.289 1.00 0.00 S ATOM 0 H CYS A 49 4.782 -0.154 -1.388 1.00 0.00 H new ATOM 0 HA CYS A 49 4.166 0.120 1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.306 -0.383 0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.193 -1.615 -0.823 1.00 0.00 H new ATOM 671 N VAL A 50 5.849 -1.508 2.269 1.00 0.00 N ATOM 672 CA VAL A 50 6.791 -2.477 2.766 1.00 0.00 C ATOM 673 C VAL A 50 6.189 -3.269 3.927 1.00 0.00 C ATOM 674 O VAL A 50 5.672 -2.698 4.898 1.00 0.00 O ATOM 675 CB VAL A 50 8.136 -1.821 3.176 1.00 0.00 C ATOM 676 CG1 VAL A 50 8.732 -1.054 2.008 1.00 0.00 C ATOM 677 CG2 VAL A 50 7.959 -0.903 4.357 1.00 0.00 C ATOM 0 H VAL A 50 5.629 -0.752 2.917 1.00 0.00 H new ATOM 0 HA VAL A 50 7.008 -3.170 1.953 1.00 0.00 H new ATOM 0 HB VAL A 50 8.820 -2.620 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.675 -0.601 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.910 -1.737 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.039 -0.273 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.919 -0.459 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.252 -0.114 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.578 -1.471 5.205 1.00 0.00 H new ATOM 687 N CYS A 51 6.228 -4.572 3.809 1.00 0.00 N ATOM 688 CA CYS A 51 5.643 -5.441 4.807 1.00 0.00 C ATOM 689 C CYS A 51 6.666 -5.901 5.828 1.00 0.00 C ATOM 690 O CYS A 51 7.869 -5.928 5.563 1.00 0.00 O ATOM 691 CB CYS A 51 5.007 -6.649 4.137 1.00 0.00 C ATOM 692 SG CYS A 51 3.903 -6.236 2.754 1.00 0.00 S ATOM 0 H CYS A 51 6.662 -5.061 3.026 1.00 0.00 H new ATOM 0 HA CYS A 51 4.881 -4.868 5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.797 -7.307 3.773 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.443 -7.210 4.883 1.00 0.00 H new ATOM 697 N SER A 52 6.180 -6.245 6.996 1.00 0.00 N ATOM 698 CA SER A 52 7.002 -6.760 8.058 1.00 0.00 C ATOM 699 C SER A 52 6.321 -7.977 8.682 1.00 0.00 C ATOM 700 O SER A 52 5.091 -8.132 8.575 1.00 0.00 O ATOM 701 CB SER A 52 7.248 -5.670 9.104 1.00 0.00 C ATOM 702 OG SER A 52 7.824 -4.520 8.498 1.00 0.00 O ATOM 0 H SER A 52 5.191 -6.173 7.236 1.00 0.00 H new ATOM 0 HA SER A 52 7.968 -7.069 7.659 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.308 -5.402 9.587 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.910 -6.048 9.883 1.00 0.00 H new ATOM 0 HG SER A 52 7.974 -3.832 9.179 1.00 0.00 H new ATOM 708 N ARG A 53 7.119 -8.839 9.317 1.00 0.00 N ATOM 709 CA ARG A 53 6.627 -10.077 9.917 1.00 0.00 C ATOM 710 C ARG A 53 5.963 -10.969 8.879 1.00 0.00 C ATOM 711 O ARG A 53 4.816 -11.373 9.025 1.00 0.00 O ATOM 712 CB ARG A 53 5.685 -9.788 11.089 1.00 0.00 C ATOM 713 CG ARG A 53 6.361 -9.037 12.220 1.00 0.00 C ATOM 714 CD ARG A 53 7.499 -9.853 12.815 1.00 0.00 C ATOM 715 NE ARG A 53 8.414 -9.029 13.589 1.00 0.00 N ATOM 716 CZ ARG A 53 9.385 -9.514 14.370 1.00 0.00 C ATOM 717 NH1 ARG A 53 9.557 -10.829 14.489 1.00 0.00 N ATOM 718 NH2 ARG A 53 10.185 -8.686 15.027 1.00 0.00 N ATOM 0 H ARG A 53 8.123 -8.697 9.428 1.00 0.00 H new ATOM 0 HA ARG A 53 7.487 -10.618 10.311 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.836 -9.207 10.731 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.289 -10.729 11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.745 -8.086 11.851 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.631 -8.806 12.995 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.089 -10.636 13.453 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.047 -10.349 12.014 1.00 0.00 H new ATOM 0 HE ARG A 53 8.308 -8.016 13.532 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.947 -11.471 13.983 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.299 -11.194 15.086 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.060 -7.678 14.937 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.925 -9.057 15.622 1.00 0.00 H new ATOM 732 N CYS A 54 6.699 -11.262 7.834 1.00 0.00 N ATOM 733 CA CYS A 54 6.213 -12.120 6.774 1.00 0.00 C ATOM 734 C CYS A 54 6.593 -13.553 7.070 1.00 0.00 C ATOM 735 O CYS A 54 7.629 -13.804 7.701 1.00 0.00 O ATOM 736 CB CYS A 54 6.766 -11.672 5.427 1.00 0.00 C ATOM 737 SG CYS A 54 6.295 -9.966 4.970 1.00 0.00 S ATOM 0 H CYS A 54 7.648 -10.916 7.692 1.00 0.00 H new ATOM 0 HA CYS A 54 5.126 -12.050 6.724 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.853 -11.746 5.448 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.415 -12.356 4.654 1.00 0.00 H new ATOM 742 N GLY A 55 5.773 -14.497 6.622 1.00 0.00 N ATOM 743 CA GLY A 55 6.015 -15.880 6.936 1.00 0.00 C ATOM 744 C GLY A 55 5.744 -16.167 8.388 1.00 0.00 C ATOM 745 O GLY A 55 4.600 -16.393 8.783 1.00 0.00 O ATOM 0 H GLY A 55 4.948 -14.323 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.382 -16.512 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.049 -16.133 6.700 1.00 0.00 H new ATOM 749 N ASN A 56 6.790 -16.148 9.183 1.00 0.00 N ATOM 750 CA ASN A 56 6.678 -16.363 10.612 1.00 0.00 C ATOM 751 C ASN A 56 7.460 -15.299 11.357 1.00 0.00 C ATOM 752 O ASN A 56 6.922 -14.610 12.221 1.00 0.00 O ATOM 753 CB ASN A 56 7.194 -17.755 10.996 1.00 0.00 C ATOM 754 CG ASN A 56 6.358 -18.880 10.413 1.00 0.00 C ATOM 755 OD1 ASN A 56 6.596 -19.332 9.293 1.00 0.00 O ATOM 756 ND2 ASN A 56 5.388 -19.351 11.170 1.00 0.00 N ATOM 0 H ASN A 56 7.743 -15.983 8.859 1.00 0.00 H new ATOM 0 HA ASN A 56 5.626 -16.298 10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.224 -17.861 10.655 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.207 -17.845 12.082 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.804 -20.116 10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.221 -18.950 12.093 1.00 0.00 H new ATOM 763 N GLY A 57 8.725 -15.155 11.008 1.00 0.00 N ATOM 764 CA GLY A 57 9.556 -14.165 11.647 1.00 0.00 C ATOM 765 C GLY A 57 10.990 -14.255 11.196 1.00 0.00 C ATOM 766 O GLY A 57 11.300 -13.996 10.025 1.00 0.00 O ATOM 0 H GLY A 57 9.192 -15.709 10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.169 -13.170 11.427 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.507 -14.294 12.728 1.00 0.00 H new ATOM 770 N GLY A 58 11.863 -14.629 12.110 1.00 0.00 N ATOM 771 CA GLY A 58 13.266 -14.751 11.790 1.00 0.00 C ATOM 772 C GLY A 58 13.726 -16.188 11.846 1.00 0.00 C ATOM 773 O GLY A 58 14.331 -16.690 10.895 1.00 0.00 O ATOM 0 H GLY A 58 11.624 -14.852 13.076 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.449 -14.348 10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.852 -14.153 12.488 1.00 0.00 H new ATOM 777 N GLY A 59 13.421 -16.854 12.955 1.00 0.00 N ATOM 778 CA GLY A 59 13.794 -18.246 13.133 1.00 0.00 C ATOM 779 C GLY A 59 15.290 -18.467 13.059 1.00 0.00 C ATOM 780 O GLY A 59 15.804 -18.970 12.055 1.00 0.00 O ATOM 0 H GLY A 59 12.916 -16.448 13.743 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.427 -18.595 14.098 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.304 -18.849 12.369 1.00 0.00 H new ATOM 784 N GLU A 60 15.992 -18.083 14.109 1.00 0.00 N ATOM 785 CA GLU A 60 17.435 -18.245 14.155 1.00 0.00 C ATOM 786 C GLU A 60 17.947 -18.232 15.590 1.00 0.00 C ATOM 787 O GLU A 60 17.185 -17.988 16.529 1.00 0.00 O ATOM 788 CB GLU A 60 18.114 -17.154 13.320 1.00 0.00 C ATOM 789 CG GLU A 60 17.690 -15.738 13.678 1.00 0.00 C ATOM 790 CD GLU A 60 18.162 -14.729 12.658 1.00 0.00 C ATOM 791 OE1 GLU A 60 19.369 -14.433 12.628 1.00 0.00 O ATOM 792 OE2 GLU A 60 17.329 -14.242 11.864 1.00 0.00 O ATOM 0 H GLU A 60 15.587 -17.656 14.942 1.00 0.00 H new ATOM 0 HA GLU A 60 17.685 -19.216 13.728 1.00 0.00 H new ATOM 0 HB2 GLU A 60 19.194 -17.239 13.441 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.897 -17.331 12.267 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.604 -15.694 13.755 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.090 -15.477 14.658 1.00 0.00 H new ATOM 799 N TRP A 61 19.230 -18.494 15.752 1.00 0.00 N ATOM 800 CA TRP A 61 19.851 -18.517 17.066 1.00 0.00 C ATOM 801 C TRP A 61 21.290 -17.989 17.009 1.00 0.00 C ATOM 802 O TRP A 61 22.241 -18.740 16.811 1.00 0.00 O ATOM 803 CB TRP A 61 19.777 -19.933 17.700 1.00 0.00 C ATOM 804 CG TRP A 61 20.266 -21.067 16.827 1.00 0.00 C ATOM 805 CD1 TRP A 61 21.503 -21.638 16.844 1.00 0.00 C ATOM 806 CD2 TRP A 61 19.514 -21.778 15.833 1.00 0.00 C ATOM 807 NE1 TRP A 61 21.574 -22.643 15.917 1.00 0.00 N ATOM 808 CE2 TRP A 61 20.369 -22.752 15.284 1.00 0.00 C ATOM 809 CE3 TRP A 61 18.207 -21.684 15.349 1.00 0.00 C ATOM 810 CZ2 TRP A 61 19.962 -23.623 14.281 1.00 0.00 C ATOM 811 CZ3 TRP A 61 17.803 -22.552 14.354 1.00 0.00 C ATOM 812 CH2 TRP A 61 18.679 -23.510 13.831 1.00 0.00 C ATOM 0 H TRP A 61 19.869 -18.696 14.983 1.00 0.00 H new ATOM 0 HA TRP A 61 19.287 -17.846 17.714 1.00 0.00 H new ATOM 0 HB2 TRP A 61 20.360 -19.930 18.621 1.00 0.00 H new ATOM 0 HB3 TRP A 61 18.742 -20.133 17.979 1.00 0.00 H new ATOM 0 HD1 TRP A 61 22.312 -21.340 17.495 1.00 0.00 H new ATOM 0 HE1 TRP A 61 22.395 -23.218 15.729 1.00 0.00 H new ATOM 0 HE3 TRP A 61 17.525 -20.946 15.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 20.636 -24.362 13.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 16.794 -22.491 13.973 1.00 0.00 H new ATOM 0 HH2 TRP A 61 18.332 -24.175 13.054 1.00 0.00 H new ATOM 823 N PRO A 62 21.452 -16.656 17.138 1.00 0.00 N ATOM 824 CA PRO A 62 22.767 -16.008 17.099 1.00 0.00 C ATOM 825 C PRO A 62 23.535 -16.151 18.417 1.00 0.00 C ATOM 826 O PRO A 62 24.765 -16.078 18.444 1.00 0.00 O ATOM 827 CB PRO A 62 22.421 -14.542 16.841 1.00 0.00 C ATOM 828 CG PRO A 62 21.075 -14.357 17.453 1.00 0.00 C ATOM 829 CD PRO A 62 20.355 -15.673 17.309 1.00 0.00 C ATOM 0 HA PRO A 62 23.419 -16.452 16.347 1.00 0.00 H new ATOM 0 HB2 PRO A 62 23.156 -13.876 17.293 1.00 0.00 H new ATOM 0 HB3 PRO A 62 22.404 -14.321 15.774 1.00 0.00 H new ATOM 0 HG2 PRO A 62 21.161 -14.075 18.502 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.528 -13.558 16.952 1.00 0.00 H new ATOM 0 HD2 PRO A 62 19.750 -15.897 18.188 1.00 0.00 H new ATOM 0 HD3 PRO A 62 19.683 -15.670 16.451 1.00 0.00 H new ATOM 837 N ASN A 63 22.807 -16.356 19.505 1.00 0.00 N ATOM 838 CA ASN A 63 23.420 -16.513 20.819 1.00 0.00 C ATOM 839 C ASN A 63 23.865 -17.948 21.027 1.00 0.00 C ATOM 840 O ASN A 63 24.752 -18.224 21.839 1.00 0.00 O ATOM 841 CB ASN A 63 22.437 -16.073 21.922 1.00 0.00 C ATOM 842 CG ASN A 63 22.892 -16.441 23.324 1.00 0.00 C ATOM 843 OD1 ASN A 63 23.667 -15.718 23.949 1.00 0.00 O ATOM 844 ND2 ASN A 63 22.387 -17.544 23.840 1.00 0.00 N ATOM 0 H ASN A 63 21.789 -16.418 19.505 1.00 0.00 H new ATOM 0 HA ASN A 63 24.302 -15.875 20.875 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.300 -14.993 21.865 1.00 0.00 H new ATOM 0 HB3 ASN A 63 21.465 -16.528 21.733 1.00 0.00 H new ATOM 0 HD21 ASN A 63 22.636 -17.824 24.789 1.00 0.00 H new ATOM 0 HD22 ASN A 63 21.747 -18.118 23.290 1.00 0.00 H new ATOM 851 N LEU A 64 23.257 -18.849 20.264 1.00 0.00 N ATOM 852 CA LEU A 64 23.572 -20.277 20.309 1.00 0.00 C ATOM 853 C LEU A 64 23.216 -20.877 21.666 1.00 0.00 C ATOM 854 O LEU A 64 24.039 -20.890 22.582 1.00 0.00 O ATOM 855 CB LEU A 64 25.061 -20.538 20.002 1.00 0.00 C ATOM 856 CG LEU A 64 25.604 -19.949 18.697 1.00 0.00 C ATOM 857 CD1 LEU A 64 27.089 -20.224 18.574 1.00 0.00 C ATOM 858 CD2 LEU A 64 24.862 -20.513 17.498 1.00 0.00 C ATOM 0 H LEU A 64 22.527 -18.611 19.592 1.00 0.00 H new ATOM 0 HA LEU A 64 22.969 -20.760 19.540 1.00 0.00 H new ATOM 0 HB2 LEU A 64 25.654 -20.143 20.827 1.00 0.00 H new ATOM 0 HB3 LEU A 64 25.221 -21.616 19.982 1.00 0.00 H new ATOM 0 HG LEU A 64 25.447 -18.871 18.718 1.00 0.00 H new ATOM 0 HD11 LEU A 64 27.462 -19.800 17.642 1.00 0.00 H new ATOM 0 HD12 LEU A 64 27.614 -19.770 19.415 1.00 0.00 H new ATOM 0 HD13 LEU A 64 27.261 -21.300 18.577 1.00 0.00 H new ATOM 0 HD21 LEU A 64 25.266 -20.079 16.583 1.00 0.00 H new ATOM 0 HD22 LEU A 64 24.984 -21.596 17.471 1.00 0.00 H new ATOM 0 HD23 LEU A 64 23.803 -20.269 17.578 1.00 0.00 H new ATOM 870 N PRO A 65 21.980 -21.354 21.825 1.00 0.00 N ATOM 871 CA PRO A 65 21.549 -21.996 23.061 1.00 0.00 C ATOM 872 C PRO A 65 22.058 -23.431 23.130 1.00 0.00 C ATOM 873 O PRO A 65 22.608 -23.948 22.151 1.00 0.00 O ATOM 874 CB PRO A 65 20.027 -21.981 22.946 1.00 0.00 C ATOM 875 CG PRO A 65 19.764 -22.047 21.482 1.00 0.00 C ATOM 876 CD PRO A 65 20.901 -21.311 20.815 1.00 0.00 C ATOM 0 HA PRO A 65 21.923 -21.496 23.954 1.00 0.00 H new ATOM 0 HB2 PRO A 65 19.581 -22.828 23.468 1.00 0.00 H new ATOM 0 HB3 PRO A 65 19.604 -21.077 23.385 1.00 0.00 H new ATOM 0 HG2 PRO A 65 19.717 -23.081 21.141 1.00 0.00 H new ATOM 0 HG3 PRO A 65 18.806 -21.587 21.238 1.00 0.00 H new ATOM 0 HD2 PRO A 65 21.202 -21.795 19.886 1.00 0.00 H new ATOM 0 HD3 PRO A 65 20.625 -20.286 20.566 1.00 0.00 H new ATOM 884 N SER A 66 21.888 -24.073 24.269 1.00 0.00 N ATOM 885 CA SER A 66 22.305 -25.445 24.409 1.00 0.00 C ATOM 886 C SER A 66 21.300 -26.354 23.717 1.00 0.00 C ATOM 887 O SER A 66 20.256 -26.702 24.277 1.00 0.00 O ATOM 888 CB SER A 66 22.459 -25.820 25.889 1.00 0.00 C ATOM 889 OG SER A 66 23.002 -27.128 26.042 1.00 0.00 O ATOM 0 H SER A 66 21.466 -23.666 25.104 1.00 0.00 H new ATOM 0 HA SER A 66 23.279 -25.572 23.936 1.00 0.00 H new ATOM 0 HB2 SER A 66 23.107 -25.096 26.383 1.00 0.00 H new ATOM 0 HB3 SER A 66 21.488 -25.768 26.382 1.00 0.00 H new ATOM 0 HG SER A 66 23.089 -27.337 26.996 1.00 0.00 H new ATOM 895 N ARG A 67 21.619 -26.712 22.494 1.00 0.00 N ATOM 896 CA ARG A 67 20.746 -27.526 21.687 1.00 0.00 C ATOM 897 C ARG A 67 20.910 -28.990 21.999 1.00 0.00 C ATOM 898 O ARG A 67 22.027 -29.519 22.023 1.00 0.00 O ATOM 899 CB ARG A 67 20.988 -27.278 20.209 1.00 0.00 C ATOM 900 CG ARG A 67 20.578 -25.899 19.749 1.00 0.00 C ATOM 901 CD ARG A 67 20.838 -25.718 18.267 1.00 0.00 C ATOM 902 NE ARG A 67 20.159 -26.742 17.462 1.00 0.00 N ATOM 903 CZ ARG A 67 19.047 -26.531 16.748 1.00 0.00 C ATOM 904 NH1 ARG A 67 18.457 -25.343 16.768 1.00 0.00 N ATOM 905 NH2 ARG A 67 18.520 -27.516 16.024 1.00 0.00 N ATOM 0 H ARG A 67 22.490 -26.447 22.034 1.00 0.00 H new ATOM 0 HA ARG A 67 19.722 -27.240 21.929 1.00 0.00 H new ATOM 0 HB2 ARG A 67 22.047 -27.423 19.994 1.00 0.00 H new ATOM 0 HB3 ARG A 67 20.440 -28.022 19.630 1.00 0.00 H new ATOM 0 HG2 ARG A 67 19.520 -25.743 19.957 1.00 0.00 H new ATOM 0 HG3 ARG A 67 21.129 -25.146 20.313 1.00 0.00 H new ATOM 0 HD2 ARG A 67 20.499 -24.729 17.957 1.00 0.00 H new ATOM 0 HD3 ARG A 67 21.911 -25.761 18.079 1.00 0.00 H new ATOM 0 HE ARG A 67 20.563 -27.678 17.446 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.851 -24.587 17.329 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.610 -25.185 16.223 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.964 -28.434 16.013 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.672 -27.352 15.481 1.00 0.00 H new ATOM 919 N GLY A 68 19.803 -29.637 22.248 1.00 0.00 N ATOM 920 CA GLY A 68 19.815 -31.038 22.506 1.00 0.00 C ATOM 921 C GLY A 68 18.984 -31.766 21.496 1.00 0.00 C ATOM 922 O GLY A 68 17.985 -31.185 21.025 1.00 0.00 O ATOM 923 OXT GLY A 68 19.332 -32.902 21.136 1.00 0.00 O ATOM 0 H GLY A 68 18.879 -29.206 22.276 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.839 -31.410 22.478 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.432 -31.232 23.508 1.00 0.00 H new TER 927 GLY A 68