USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 THR OG1 : rot 84:sc= 0.1 USER MOD Set 2.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 28 LYS NZ :NH3+ 176:sc= -0.111 (180deg=-0.149) USER MOD Set 3.2: A 42 SER OG : rot 180:sc=-0.00685 USER MOD Set 4.1: A 16 ASN :FLIP amide:sc= -0.613 F(o=-2.2,f=-0.51) USER MOD Set 4.2: A 23 THR OG1 : rot -59:sc= 0.103 USER MOD Set 5.1: A 12 ASN :FLIP amide:sc= -0.0162 F(o=-5.4!,f=-0.68) USER MOD Set 5.2: A 13 ASN : amide:sc= -0.663 K(o=-0.68,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -55:sc= 0.82 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.097 (180deg=-0.871) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -120:sc= -0.0972 USER MOD Single : A 35 ASN : amide:sc= 0.454 K(o=0.45,f=-0.061) USER MOD Single : A 38 ASN : amide:sc= -4.63! C(o=-4.6!,f=-4.4!) USER MOD Single : A 45 CYS SG : rot -63:sc= -0.441 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -0.858 (180deg=-1.39) USER MOD Single : A 53 SER OG : rot 59:sc= -0.0729 USER MOD Single : A 54 MET CE :methyl -153:sc= -0.432 (180deg=-1.51!) USER MOD Single : A 62 GLN : amide:sc= -0.15 K(o=-0.15,f=-2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.86 K(o=-2.9,f=-5.4!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 75 THR OG1 : rot 78:sc= 0.0825 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= -1.45 (180deg=-2.56!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 27:sc= 0.267 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.028 37.986 -19.372 1.00 0.00 N ATOM 2 CA GLY A 1 -11.114 37.102 -18.992 1.00 0.00 C ATOM 3 C GLY A 1 -10.620 35.788 -18.421 1.00 0.00 C ATOM 4 O GLY A 1 -10.710 34.747 -19.072 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.418 38.870 -19.756 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.445 38.199 -18.537 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.441 37.524 -20.095 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.743 37.601 -18.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.739 36.904 -19.863 1.00 0.00 H new ATOM 8 N SER A 2 -10.095 35.835 -17.201 1.00 0.00 N ATOM 9 CA SER A 2 -9.580 34.639 -16.544 1.00 0.00 C ATOM 10 C SER A 2 -10.522 34.179 -15.436 1.00 0.00 C ATOM 11 O SER A 2 -10.620 34.812 -14.385 1.00 0.00 O ATOM 12 CB SER A 2 -8.189 34.909 -15.966 1.00 0.00 C ATOM 13 OG SER A 2 -7.189 34.777 -16.962 1.00 0.00 O ATOM 0 H SER A 2 -10.015 36.688 -16.647 1.00 0.00 H new ATOM 0 HA SER A 2 -9.510 33.847 -17.289 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.156 35.913 -15.544 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.989 34.214 -15.151 1.00 0.00 H new ATOM 0 HG SER A 2 -6.310 34.956 -16.568 1.00 0.00 H new ATOM 19 N SER A 3 -11.215 33.071 -15.680 1.00 0.00 N ATOM 20 CA SER A 3 -12.153 32.526 -14.706 1.00 0.00 C ATOM 21 C SER A 3 -12.167 31.001 -14.758 1.00 0.00 C ATOM 22 O SER A 3 -12.158 30.406 -15.835 1.00 0.00 O ATOM 23 CB SER A 3 -13.560 33.069 -14.962 1.00 0.00 C ATOM 24 OG SER A 3 -14.336 33.055 -13.776 1.00 0.00 O ATOM 0 H SER A 3 -11.144 32.533 -16.544 1.00 0.00 H new ATOM 0 HA SER A 3 -11.827 32.835 -13.713 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.496 34.087 -15.346 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.051 32.469 -15.728 1.00 0.00 H new ATOM 0 HG SER A 3 -15.230 33.408 -13.966 1.00 0.00 H new ATOM 30 N GLY A 4 -12.188 30.375 -13.586 1.00 0.00 N ATOM 31 CA GLY A 4 -12.202 28.925 -13.519 1.00 0.00 C ATOM 32 C GLY A 4 -12.829 28.410 -12.239 1.00 0.00 C ATOM 33 O GLY A 4 -13.521 29.148 -11.537 1.00 0.00 O ATOM 0 H GLY A 4 -12.196 30.846 -12.681 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.751 28.530 -14.374 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.181 28.551 -13.596 1.00 0.00 H new ATOM 37 N SER A 5 -12.588 27.138 -11.934 1.00 0.00 N ATOM 38 CA SER A 5 -13.139 26.523 -10.732 1.00 0.00 C ATOM 39 C SER A 5 -12.114 26.525 -9.602 1.00 0.00 C ATOM 40 O SER A 5 -11.981 25.546 -8.868 1.00 0.00 O ATOM 41 CB SER A 5 -13.587 25.090 -11.027 1.00 0.00 C ATOM 42 OG SER A 5 -14.173 24.494 -9.882 1.00 0.00 O ATOM 0 H SER A 5 -12.015 26.514 -12.503 1.00 0.00 H new ATOM 0 HA SER A 5 -14.002 27.109 -10.417 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.304 25.091 -11.848 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.732 24.498 -11.352 1.00 0.00 H new ATOM 0 HG SER A 5 -13.545 24.540 -9.131 1.00 0.00 H new ATOM 48 N SER A 6 -11.391 27.632 -9.469 1.00 0.00 N ATOM 49 CA SER A 6 -10.374 27.762 -8.432 1.00 0.00 C ATOM 50 C SER A 6 -10.855 27.148 -7.121 1.00 0.00 C ATOM 51 O SER A 6 -11.650 27.746 -6.397 1.00 0.00 O ATOM 52 CB SER A 6 -10.018 29.234 -8.218 1.00 0.00 C ATOM 53 OG SER A 6 -9.237 29.731 -9.292 1.00 0.00 O ATOM 0 H SER A 6 -11.491 28.452 -10.067 1.00 0.00 H new ATOM 0 HA SER A 6 -9.484 27.225 -8.761 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.931 29.822 -8.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.470 29.347 -7.283 1.00 0.00 H new ATOM 0 HG SER A 6 -9.024 30.674 -9.132 1.00 0.00 H new ATOM 59 N GLY A 7 -10.366 25.948 -6.822 1.00 0.00 N ATOM 60 CA GLY A 7 -10.756 25.272 -5.598 1.00 0.00 C ATOM 61 C GLY A 7 -11.048 23.800 -5.817 1.00 0.00 C ATOM 62 O GLY A 7 -11.902 23.444 -6.628 1.00 0.00 O ATOM 0 H GLY A 7 -9.707 25.432 -7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.961 25.376 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.640 25.757 -5.184 1.00 0.00 H new ATOM 66 N ARG A 8 -10.335 22.944 -5.093 1.00 0.00 N ATOM 67 CA ARG A 8 -10.520 21.503 -5.214 1.00 0.00 C ATOM 68 C ARG A 8 -10.910 20.890 -3.872 1.00 0.00 C ATOM 69 O ARG A 8 -10.713 21.498 -2.820 1.00 0.00 O ATOM 70 CB ARG A 8 -9.241 20.845 -5.735 1.00 0.00 C ATOM 71 CG ARG A 8 -8.029 21.083 -4.849 1.00 0.00 C ATOM 72 CD ARG A 8 -6.799 20.364 -5.381 1.00 0.00 C ATOM 73 NE ARG A 8 -6.230 21.041 -6.543 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.544 22.177 -6.469 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.344 22.759 -5.294 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.057 22.732 -7.571 1.00 0.00 N ATOM 0 H ARG A 8 -9.624 23.223 -4.417 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.328 21.324 -5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.407 19.772 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.029 21.223 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.828 22.152 -4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.244 20.739 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.047 20.301 -4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.065 19.342 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.366 20.619 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.717 22.335 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.817 23.631 -5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.209 22.287 -8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.531 23.604 -7.513 1.00 0.00 H new ATOM 90 N TYR A 9 -11.463 19.683 -3.917 1.00 0.00 N ATOM 91 CA TYR A 9 -11.883 18.989 -2.706 1.00 0.00 C ATOM 92 C TYR A 9 -11.027 17.749 -2.463 1.00 0.00 C ATOM 93 O TYR A 9 -10.707 16.995 -3.382 1.00 0.00 O ATOM 94 CB TYR A 9 -13.357 18.593 -2.805 1.00 0.00 C ATOM 95 CG TYR A 9 -13.778 18.169 -4.193 1.00 0.00 C ATOM 96 CD1 TYR A 9 -13.467 16.905 -4.679 1.00 0.00 C ATOM 97 CD2 TYR A 9 -14.489 19.032 -5.019 1.00 0.00 C ATOM 98 CE1 TYR A 9 -13.849 16.514 -5.948 1.00 0.00 C ATOM 99 CE2 TYR A 9 -14.876 18.648 -6.288 1.00 0.00 C ATOM 100 CZ TYR A 9 -14.554 17.388 -6.748 1.00 0.00 C ATOM 101 OH TYR A 9 -14.938 17.002 -8.012 1.00 0.00 O ATOM 0 H TYR A 9 -11.631 19.165 -4.780 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.752 19.669 -1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -13.553 17.777 -2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -13.973 19.435 -2.489 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.917 16.216 -4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.743 20.019 -4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.597 15.529 -6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -15.428 19.331 -6.917 1.00 0.00 H new ATOM 0 HH TYR A 9 -15.427 17.734 -8.443 1.00 0.00 H new ATOM 111 N PRO A 10 -10.649 17.532 -1.195 1.00 0.00 N ATOM 112 CA PRO A 10 -9.826 16.384 -0.800 1.00 0.00 C ATOM 113 C PRO A 10 -10.584 15.065 -0.903 1.00 0.00 C ATOM 114 O PRO A 10 -11.728 15.028 -1.359 1.00 0.00 O ATOM 115 CB PRO A 10 -9.474 16.686 0.658 1.00 0.00 C ATOM 116 CG PRO A 10 -10.573 17.569 1.139 1.00 0.00 C ATOM 117 CD PRO A 10 -10.994 18.389 -0.049 1.00 0.00 C ATOM 0 HA PRO A 10 -8.957 16.263 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.414 15.772 1.248 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.506 17.180 0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.407 16.981 1.523 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.232 18.208 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.060 18.616 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.466 19.342 -0.087 1.00 0.00 H new ATOM 125 N THR A 11 -9.940 13.983 -0.477 1.00 0.00 N ATOM 126 CA THR A 11 -10.553 12.662 -0.522 1.00 0.00 C ATOM 127 C THR A 11 -11.536 12.472 0.628 1.00 0.00 C ATOM 128 O THR A 11 -11.135 12.292 1.777 1.00 0.00 O ATOM 129 CB THR A 11 -9.491 11.547 -0.463 1.00 0.00 C ATOM 130 OG1 THR A 11 -10.124 10.264 -0.511 1.00 0.00 O ATOM 131 CG2 THR A 11 -8.658 11.660 0.805 1.00 0.00 C ATOM 0 H THR A 11 -8.994 13.996 -0.097 1.00 0.00 H new ATOM 0 HA THR A 11 -11.088 12.595 -1.469 1.00 0.00 H new ATOM 0 HB THR A 11 -8.831 11.658 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.442 9.561 -0.475 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.915 10.863 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.154 12.626 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.307 11.572 1.676 1.00 0.00 H new ATOM 139 N ASN A 12 -12.826 12.514 0.310 1.00 0.00 N ATOM 140 CA ASN A 12 -13.867 12.346 1.317 1.00 0.00 C ATOM 141 C ASN A 12 -13.485 11.261 2.319 1.00 0.00 C ATOM 142 O ASN A 12 -13.303 11.533 3.505 1.00 0.00 O ATOM 143 CB ASN A 12 -15.199 11.996 0.651 1.00 0.00 C ATOM 144 CG ASN A 12 -16.368 12.084 1.613 1.00 0.00 C ATOM 145 OD1 ASN A 12 -16.619 11.002 2.341 1.00 0.00 O flip ATOM 146 ND2 ASN A 12 -17.037 13.114 1.701 1.00 0.00 N flip ATOM 0 H ASN A 12 -13.175 12.663 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 12 -13.974 13.289 1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.371 12.671 -0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.144 10.987 0.242 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.808 13.922 1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.820 13.159 2.353 1.00 0.00 H new ATOM 153 N ASN A 13 -13.366 10.030 1.833 1.00 0.00 N ATOM 154 CA ASN A 13 -13.006 8.903 2.685 1.00 0.00 C ATOM 155 C ASN A 13 -12.447 7.750 1.856 1.00 0.00 C ATOM 156 O ASN A 13 -12.351 7.842 0.632 1.00 0.00 O ATOM 157 CB ASN A 13 -14.224 8.429 3.481 1.00 0.00 C ATOM 158 CG ASN A 13 -15.392 8.061 2.587 1.00 0.00 C ATOM 159 OD1 ASN A 13 -15.206 7.661 1.437 1.00 0.00 O ATOM 160 ND2 ASN A 13 -16.604 8.195 3.112 1.00 0.00 N ATOM 0 H ASN A 13 -13.514 9.788 0.853 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.234 9.237 3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.946 7.565 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.532 9.215 4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.428 7.963 2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.711 8.530 4.069 1.00 0.00 H new ATOM 167 N PHE A 14 -12.079 6.667 2.531 1.00 0.00 N ATOM 168 CA PHE A 14 -11.529 5.496 1.857 1.00 0.00 C ATOM 169 C PHE A 14 -12.622 4.473 1.566 1.00 0.00 C ATOM 170 O PHE A 14 -13.771 4.642 1.972 1.00 0.00 O ATOM 171 CB PHE A 14 -10.432 4.858 2.712 1.00 0.00 C ATOM 172 CG PHE A 14 -9.296 5.790 3.024 1.00 0.00 C ATOM 173 CD1 PHE A 14 -8.438 6.216 2.023 1.00 0.00 C ATOM 174 CD2 PHE A 14 -9.087 6.241 4.317 1.00 0.00 C ATOM 175 CE1 PHE A 14 -7.392 7.073 2.307 1.00 0.00 C ATOM 176 CE2 PHE A 14 -8.043 7.099 4.607 1.00 0.00 C ATOM 177 CZ PHE A 14 -7.195 7.516 3.601 1.00 0.00 C ATOM 0 H PHE A 14 -12.151 6.575 3.544 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.099 5.821 0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.869 4.506 3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.041 3.983 2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.588 5.874 1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.748 5.918 5.108 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.729 7.396 1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.891 7.443 5.619 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.379 8.187 3.825 1.00 0.00 H new ATOM 187 N GLY A 15 -12.255 3.409 0.858 1.00 0.00 N ATOM 188 CA GLY A 15 -13.215 2.373 0.523 1.00 0.00 C ATOM 189 C GLY A 15 -12.577 1.202 -0.198 1.00 0.00 C ATOM 190 O GLY A 15 -12.939 0.050 0.036 1.00 0.00 O ATOM 0 H GLY A 15 -11.310 3.246 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.694 2.017 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.999 2.798 -0.104 1.00 0.00 H new ATOM 194 N ASN A 16 -11.626 1.497 -1.077 1.00 0.00 N ATOM 195 CA ASN A 16 -10.938 0.459 -1.836 1.00 0.00 C ATOM 196 C ASN A 16 -9.439 0.736 -1.900 1.00 0.00 C ATOM 197 O ASN A 16 -8.977 1.809 -1.510 1.00 0.00 O ATOM 198 CB ASN A 16 -11.511 0.368 -3.252 1.00 0.00 C ATOM 199 CG ASN A 16 -12.994 0.682 -3.296 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.774 -0.031 -2.491 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.433 1.555 -4.045 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.314 2.446 -1.282 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.093 -0.492 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.976 1.060 -3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.343 -0.634 -3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.797 2.078 -4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.433 1.755 -4.064 1.00 0.00 H new ATOM 208 N CYS A 17 -8.683 -0.240 -2.394 1.00 0.00 N ATOM 209 CA CYS A 17 -7.237 -0.103 -2.509 1.00 0.00 C ATOM 210 C CYS A 17 -6.871 1.110 -3.360 1.00 0.00 C ATOM 211 O CYS A 17 -7.602 1.482 -4.279 1.00 0.00 O ATOM 212 CB CYS A 17 -6.631 -1.369 -3.120 1.00 0.00 C ATOM 213 SG CYS A 17 -4.827 -1.288 -3.362 1.00 0.00 S ATOM 0 H CYS A 17 -9.049 -1.134 -2.721 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.830 0.041 -1.508 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.863 -2.217 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.108 -1.560 -4.082 1.00 0.00 H new ATOM 218 N THR A 18 -5.734 1.724 -3.047 1.00 0.00 N ATOM 219 CA THR A 18 -5.270 2.895 -3.781 1.00 0.00 C ATOM 220 C THR A 18 -4.318 2.499 -4.903 1.00 0.00 C ATOM 221 O THR A 18 -3.511 3.308 -5.360 1.00 0.00 O ATOM 222 CB THR A 18 -4.561 3.896 -2.850 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.380 4.168 -1.707 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.259 5.195 -3.583 1.00 0.00 C ATOM 0 H THR A 18 -5.117 1.430 -2.290 1.00 0.00 H new ATOM 0 HA THR A 18 -6.153 3.370 -4.209 1.00 0.00 H new ATOM 0 HB THR A 18 -3.620 3.452 -2.525 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.246 3.468 -1.034 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.758 5.887 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.612 4.990 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.190 5.640 -3.933 1.00 0.00 H new ATOM 232 N GLY A 19 -4.417 1.249 -5.345 1.00 0.00 N ATOM 233 CA GLY A 19 -3.558 0.768 -6.411 1.00 0.00 C ATOM 234 C GLY A 19 -4.326 0.019 -7.482 1.00 0.00 C ATOM 235 O GLY A 19 -4.167 0.287 -8.673 1.00 0.00 O ATOM 0 H GLY A 19 -5.077 0.561 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.039 1.613 -6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.795 0.113 -5.991 1.00 0.00 H new ATOM 239 N CYS A 20 -5.161 -0.924 -7.058 1.00 0.00 N ATOM 240 CA CYS A 20 -5.957 -1.716 -7.988 1.00 0.00 C ATOM 241 C CYS A 20 -7.447 -1.469 -7.778 1.00 0.00 C ATOM 242 O CYS A 20 -8.286 -2.023 -8.488 1.00 0.00 O ATOM 243 CB CYS A 20 -5.646 -3.204 -7.818 1.00 0.00 C ATOM 244 SG CYS A 20 -5.997 -3.851 -6.152 1.00 0.00 S ATOM 0 H CYS A 20 -5.304 -1.158 -6.076 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.697 -1.410 -9.001 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.226 -3.771 -8.546 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.594 -3.373 -8.048 1.00 0.00 H new ATOM 249 N SER A 21 -7.770 -0.632 -6.796 1.00 0.00 N ATOM 250 CA SER A 21 -9.159 -0.314 -6.488 1.00 0.00 C ATOM 251 C SER A 21 -9.961 -1.584 -6.221 1.00 0.00 C ATOM 252 O SER A 21 -11.090 -1.729 -6.690 1.00 0.00 O ATOM 253 CB SER A 21 -9.792 0.470 -7.640 1.00 0.00 C ATOM 254 OG SER A 21 -9.598 1.864 -7.475 1.00 0.00 O ATOM 0 H SER A 21 -7.088 -0.162 -6.201 1.00 0.00 H new ATOM 0 HA SER A 21 -9.174 0.300 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.356 0.148 -8.586 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.859 0.251 -7.690 1.00 0.00 H new ATOM 0 HG SER A 21 -10.010 2.343 -8.224 1.00 0.00 H new ATOM 260 N ALA A 22 -9.369 -2.501 -5.463 1.00 0.00 N ATOM 261 CA ALA A 22 -10.028 -3.759 -5.131 1.00 0.00 C ATOM 262 C ALA A 22 -10.617 -3.715 -3.725 1.00 0.00 C ATOM 263 O ALA A 22 -9.898 -3.846 -2.735 1.00 0.00 O ATOM 264 CB ALA A 22 -9.050 -4.917 -5.260 1.00 0.00 C ATOM 0 H ALA A 22 -8.435 -2.397 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.846 -3.909 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.555 -5.850 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.680 -4.969 -6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.213 -4.764 -4.579 1.00 0.00 H new ATOM 270 N THR A 23 -11.931 -3.529 -3.645 1.00 0.00 N ATOM 271 CA THR A 23 -12.617 -3.466 -2.360 1.00 0.00 C ATOM 272 C THR A 23 -12.061 -4.501 -1.389 1.00 0.00 C ATOM 273 O THR A 23 -11.644 -5.587 -1.795 1.00 0.00 O ATOM 274 CB THR A 23 -14.132 -3.690 -2.520 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.634 -2.892 -3.598 1.00 0.00 O ATOM 276 CG2 THR A 23 -14.870 -3.339 -1.237 1.00 0.00 C ATOM 0 H THR A 23 -12.541 -3.419 -4.455 1.00 0.00 H new ATOM 0 HA THR A 23 -12.446 -2.467 -1.959 1.00 0.00 H new ATOM 0 HB THR A 23 -14.299 -4.744 -2.740 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.451 -1.946 -3.418 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.938 -3.505 -1.375 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.507 -3.968 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.695 -2.292 -0.991 1.00 0.00 H new ATOM 284 N PHE A 24 -12.059 -4.160 -0.105 1.00 0.00 N ATOM 285 CA PHE A 24 -11.554 -5.061 0.925 1.00 0.00 C ATOM 286 C PHE A 24 -12.679 -5.920 1.495 1.00 0.00 C ATOM 287 O PHE A 24 -13.718 -5.406 1.908 1.00 0.00 O ATOM 288 CB PHE A 24 -10.886 -4.264 2.047 1.00 0.00 C ATOM 289 CG PHE A 24 -9.882 -3.261 1.555 1.00 0.00 C ATOM 290 CD1 PHE A 24 -8.610 -3.661 1.182 1.00 0.00 C ATOM 291 CD2 PHE A 24 -10.211 -1.918 1.467 1.00 0.00 C ATOM 292 CE1 PHE A 24 -7.683 -2.741 0.728 1.00 0.00 C ATOM 293 CE2 PHE A 24 -9.289 -0.993 1.014 1.00 0.00 C ATOM 294 CZ PHE A 24 -8.023 -1.405 0.645 1.00 0.00 C ATOM 0 H PHE A 24 -12.401 -3.266 0.248 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.815 -5.719 0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.654 -3.746 2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.392 -4.956 2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.339 -4.704 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.199 -1.590 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.695 -3.067 0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.558 0.051 0.949 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.301 -0.684 0.292 1.00 0.00 H new ATOM 304 N SER A 25 -12.462 -7.231 1.513 1.00 0.00 N ATOM 305 CA SER A 25 -13.459 -8.163 2.028 1.00 0.00 C ATOM 306 C SER A 25 -13.042 -8.705 3.392 1.00 0.00 C ATOM 307 O SER A 25 -12.007 -8.321 3.936 1.00 0.00 O ATOM 308 CB SER A 25 -13.661 -9.320 1.048 1.00 0.00 C ATOM 309 OG SER A 25 -12.613 -10.267 1.153 1.00 0.00 O ATOM 0 H SER A 25 -11.606 -7.672 1.177 1.00 0.00 H new ATOM 0 HA SER A 25 -14.400 -7.624 2.142 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.616 -9.806 1.247 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.706 -8.934 0.030 1.00 0.00 H new ATOM 0 HG SER A 25 -12.767 -10.997 0.517 1.00 0.00 H new ATOM 315 N VAL A 26 -13.857 -9.602 3.940 1.00 0.00 N ATOM 316 CA VAL A 26 -13.574 -10.198 5.240 1.00 0.00 C ATOM 317 C VAL A 26 -12.160 -10.769 5.287 1.00 0.00 C ATOM 318 O VAL A 26 -11.441 -10.595 6.271 1.00 0.00 O ATOM 319 CB VAL A 26 -14.578 -11.317 5.575 1.00 0.00 C ATOM 320 CG1 VAL A 26 -15.984 -10.751 5.705 1.00 0.00 C ATOM 321 CG2 VAL A 26 -14.530 -12.410 4.517 1.00 0.00 C ATOM 0 H VAL A 26 -14.718 -9.931 3.503 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.667 -9.403 5.980 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.299 -11.757 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.680 -11.556 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.005 -10.007 6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -16.276 -10.284 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.246 -13.192 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.783 -11.987 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.527 -12.835 4.478 1.00 0.00 H new ATOM 331 N LEU A 27 -11.768 -11.451 4.216 1.00 0.00 N ATOM 332 CA LEU A 27 -10.439 -12.047 4.134 1.00 0.00 C ATOM 333 C LEU A 27 -9.378 -10.980 3.888 1.00 0.00 C ATOM 334 O LEU A 27 -8.453 -10.814 4.683 1.00 0.00 O ATOM 335 CB LEU A 27 -10.396 -13.093 3.018 1.00 0.00 C ATOM 336 CG LEU A 27 -11.067 -14.432 3.326 1.00 0.00 C ATOM 337 CD1 LEU A 27 -11.203 -15.264 2.061 1.00 0.00 C ATOM 338 CD2 LEU A 27 -10.281 -15.191 4.384 1.00 0.00 C ATOM 0 H LEU A 27 -12.351 -11.605 3.393 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.225 -12.532 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.867 -12.669 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.353 -13.282 2.765 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.066 -14.235 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.683 -16.213 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.809 -14.724 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.215 -15.452 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.773 -16.141 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.270 -15.377 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.236 -14.599 5.298 1.00 0.00 H new ATOM 350 N LYS A 28 -9.518 -10.257 2.782 1.00 0.00 N ATOM 351 CA LYS A 28 -8.573 -9.203 2.431 1.00 0.00 C ATOM 352 C LYS A 28 -8.626 -8.066 3.447 1.00 0.00 C ATOM 353 O LYS A 28 -9.391 -7.114 3.289 1.00 0.00 O ATOM 354 CB LYS A 28 -8.875 -8.665 1.031 1.00 0.00 C ATOM 355 CG LYS A 28 -7.775 -7.782 0.469 1.00 0.00 C ATOM 356 CD LYS A 28 -7.837 -7.710 -1.048 1.00 0.00 C ATOM 357 CE LYS A 28 -6.856 -8.677 -1.692 1.00 0.00 C ATOM 358 NZ LYS A 28 -7.232 -10.096 -1.443 1.00 0.00 N ATOM 0 H LYS A 28 -10.277 -10.382 2.113 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.570 -9.629 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.036 -9.505 0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.805 -8.097 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.864 -6.779 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.804 -8.169 0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.849 -7.939 -1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.615 -6.694 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.818 -8.494 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.855 -8.493 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.578 -10.723 -1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.178 -10.296 -0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.203 -10.262 -1.777 1.00 0.00 H new ATOM 372 N LYS A 29 -7.808 -8.171 4.488 1.00 0.00 N ATOM 373 CA LYS A 29 -7.758 -7.150 5.529 1.00 0.00 C ATOM 374 C LYS A 29 -7.093 -5.878 5.012 1.00 0.00 C ATOM 375 O LYS A 29 -5.939 -5.901 4.582 1.00 0.00 O ATOM 376 CB LYS A 29 -7.001 -7.675 6.751 1.00 0.00 C ATOM 377 CG LYS A 29 -5.604 -8.177 6.431 1.00 0.00 C ATOM 378 CD LYS A 29 -5.193 -9.309 7.356 1.00 0.00 C ATOM 379 CE LYS A 29 -4.496 -8.786 8.603 1.00 0.00 C ATOM 380 NZ LYS A 29 -5.416 -7.988 9.459 1.00 0.00 N ATOM 0 H LYS A 29 -7.170 -8.953 4.634 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.781 -6.911 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.931 -6.880 7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.574 -8.484 7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.568 -8.520 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.892 -7.356 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.074 -9.883 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.528 -9.991 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.101 -9.624 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.645 -8.170 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.052 -7.965 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.479 -7.018 9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.361 -8.423 9.453 1.00 0.00 H new ATOM 394 N ARG A 30 -7.826 -4.771 5.059 1.00 0.00 N ATOM 395 CA ARG A 30 -7.306 -3.490 4.596 1.00 0.00 C ATOM 396 C ARG A 30 -5.929 -3.215 5.193 1.00 0.00 C ATOM 397 O ARG A 30 -5.802 -2.933 6.384 1.00 0.00 O ATOM 398 CB ARG A 30 -8.269 -2.361 4.968 1.00 0.00 C ATOM 399 CG ARG A 30 -8.245 -1.195 3.992 1.00 0.00 C ATOM 400 CD ARG A 30 -9.555 -0.423 4.014 1.00 0.00 C ATOM 401 NE ARG A 30 -9.595 0.558 5.095 1.00 0.00 N ATOM 402 CZ ARG A 30 -10.703 1.176 5.487 1.00 0.00 C ATOM 403 NH1 ARG A 30 -11.858 0.915 4.889 1.00 0.00 N ATOM 404 NH2 ARG A 30 -10.659 2.057 6.478 1.00 0.00 N ATOM 0 H ARG A 30 -8.782 -4.735 5.413 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.211 -3.535 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.282 -2.761 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.020 -1.995 5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.423 -0.525 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.057 -1.566 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.693 0.084 3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.385 -1.121 4.127 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.723 0.781 5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.896 0.238 4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.708 1.391 5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.773 2.261 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.511 2.531 6.778 1.00 0.00 H new ATOM 418 N ARG A 31 -4.900 -3.300 4.356 1.00 0.00 N ATOM 419 CA ARG A 31 -3.532 -3.062 4.800 1.00 0.00 C ATOM 420 C ARG A 31 -3.161 -1.589 4.655 1.00 0.00 C ATOM 421 O ARG A 31 -3.630 -0.908 3.742 1.00 0.00 O ATOM 422 CB ARG A 31 -2.556 -3.927 4.000 1.00 0.00 C ATOM 423 CG ARG A 31 -2.318 -5.299 4.608 1.00 0.00 C ATOM 424 CD ARG A 31 -2.004 -6.335 3.540 1.00 0.00 C ATOM 425 NE ARG A 31 -1.893 -7.680 4.097 1.00 0.00 N ATOM 426 CZ ARG A 31 -0.776 -8.166 4.629 1.00 0.00 C ATOM 427 NH1 ARG A 31 0.319 -7.420 4.675 1.00 0.00 N ATOM 428 NH2 ARG A 31 -0.754 -9.400 5.116 1.00 0.00 N ATOM 0 H ARG A 31 -4.988 -3.532 3.367 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.466 -3.332 5.854 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.939 -4.050 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.603 -3.404 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.493 -5.245 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.201 -5.608 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.786 -6.321 2.780 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.071 -6.071 3.042 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.718 -8.280 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.306 -6.471 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.175 -7.795 5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.595 -9.977 5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.104 -9.772 5.524 1.00 0.00 H new ATOM 442 N SER A 32 -2.318 -1.104 5.560 1.00 0.00 N ATOM 443 CA SER A 32 -1.888 0.289 5.535 1.00 0.00 C ATOM 444 C SER A 32 -0.398 0.392 5.220 1.00 0.00 C ATOM 445 O SER A 32 0.437 -0.186 5.916 1.00 0.00 O ATOM 446 CB SER A 32 -2.184 0.960 6.878 1.00 0.00 C ATOM 447 OG SER A 32 -3.547 0.808 7.234 1.00 0.00 O ATOM 0 H SER A 32 -1.919 -1.655 6.320 1.00 0.00 H new ATOM 0 HA SER A 32 -2.444 0.801 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.552 0.525 7.652 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.936 2.020 6.821 1.00 0.00 H new ATOM 0 HG SER A 32 -3.710 1.244 8.096 1.00 0.00 H new ATOM 453 N CYS A 33 -0.073 1.132 4.166 1.00 0.00 N ATOM 454 CA CYS A 33 1.314 1.312 3.756 1.00 0.00 C ATOM 455 C CYS A 33 2.170 1.785 4.927 1.00 0.00 C ATOM 456 O CYS A 33 1.650 2.241 5.945 1.00 0.00 O ATOM 457 CB CYS A 33 1.402 2.319 2.607 1.00 0.00 C ATOM 458 SG CYS A 33 3.042 2.407 1.819 1.00 0.00 S ATOM 0 H CYS A 33 -0.752 1.617 3.580 1.00 0.00 H new ATOM 0 HA CYS A 33 1.694 0.349 3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.661 2.057 1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.138 3.307 2.983 1.00 0.00 H new ATOM 463 N SER A 34 3.486 1.672 4.775 1.00 0.00 N ATOM 464 CA SER A 34 4.415 2.084 5.820 1.00 0.00 C ATOM 465 C SER A 34 4.986 3.467 5.525 1.00 0.00 C ATOM 466 O SER A 34 5.295 4.232 6.438 1.00 0.00 O ATOM 467 CB SER A 34 5.551 1.068 5.952 1.00 0.00 C ATOM 468 OG SER A 34 6.274 1.265 7.155 1.00 0.00 O ATOM 0 H SER A 34 3.933 1.298 3.938 1.00 0.00 H new ATOM 0 HA SER A 34 3.867 2.130 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.144 0.057 5.930 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.225 1.158 5.100 1.00 0.00 H new ATOM 0 HG SER A 34 7.212 1.458 6.945 1.00 0.00 H new ATOM 474 N ASN A 35 5.125 3.782 4.241 1.00 0.00 N ATOM 475 CA ASN A 35 5.660 5.073 3.823 1.00 0.00 C ATOM 476 C ASN A 35 4.547 6.110 3.706 1.00 0.00 C ATOM 477 O ASN A 35 4.408 6.986 4.560 1.00 0.00 O ATOM 478 CB ASN A 35 6.389 4.937 2.485 1.00 0.00 C ATOM 479 CG ASN A 35 6.828 6.277 1.927 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.359 7.120 2.651 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.606 6.481 0.634 1.00 0.00 N ATOM 0 H ASN A 35 4.874 3.161 3.472 1.00 0.00 H new ATOM 0 HA ASN A 35 6.367 5.409 4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.262 4.296 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.735 4.444 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.878 7.364 0.203 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.163 5.754 0.072 1.00 0.00 H new ATOM 488 N CYS A 36 3.758 6.005 2.643 1.00 0.00 N ATOM 489 CA CYS A 36 2.657 6.933 2.412 1.00 0.00 C ATOM 490 C CYS A 36 1.584 6.782 3.486 1.00 0.00 C ATOM 491 O CYS A 36 0.904 7.744 3.840 1.00 0.00 O ATOM 492 CB CYS A 36 2.047 6.700 1.029 1.00 0.00 C ATOM 493 SG CYS A 36 1.055 5.178 0.900 1.00 0.00 S ATOM 0 H CYS A 36 3.860 5.286 1.927 1.00 0.00 H new ATOM 0 HA CYS A 36 3.054 7.947 2.460 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.419 7.553 0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.849 6.662 0.292 1.00 0.00 H new ATOM 498 N GLY A 37 1.436 5.564 4.000 1.00 0.00 N ATOM 499 CA GLY A 37 0.444 5.308 5.028 1.00 0.00 C ATOM 500 C GLY A 37 -0.970 5.316 4.483 1.00 0.00 C ATOM 501 O GLY A 37 -1.891 5.805 5.136 1.00 0.00 O ATOM 0 H GLY A 37 1.985 4.751 3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.646 4.342 5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.533 6.062 5.810 1.00 0.00 H new ATOM 505 N ASN A 38 -1.143 4.775 3.282 1.00 0.00 N ATOM 506 CA ASN A 38 -2.456 4.724 2.648 1.00 0.00 C ATOM 507 C ASN A 38 -3.026 3.309 2.689 1.00 0.00 C ATOM 508 O ASN A 38 -2.351 2.369 3.109 1.00 0.00 O ATOM 509 CB ASN A 38 -2.365 5.208 1.199 1.00 0.00 C ATOM 510 CG ASN A 38 -1.632 6.530 1.076 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.569 7.308 2.028 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.074 6.789 -0.101 1.00 0.00 N ATOM 0 H ASN A 38 -0.391 4.366 2.728 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.125 5.382 3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.854 4.455 0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.370 5.313 0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.567 7.663 -0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.152 6.114 -0.862 1.00 0.00 H new ATOM 519 N SER A 39 -4.272 3.166 2.250 1.00 0.00 N ATOM 520 CA SER A 39 -4.934 1.867 2.239 1.00 0.00 C ATOM 521 C SER A 39 -4.546 1.070 0.997 1.00 0.00 C ATOM 522 O SER A 39 -4.427 1.622 -0.097 1.00 0.00 O ATOM 523 CB SER A 39 -6.452 2.044 2.291 1.00 0.00 C ATOM 524 OG SER A 39 -6.925 2.734 1.147 1.00 0.00 O ATOM 0 H SER A 39 -4.844 3.934 1.897 1.00 0.00 H new ATOM 0 HA SER A 39 -4.609 1.314 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.933 1.068 2.355 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.726 2.595 3.191 1.00 0.00 H new ATOM 0 HG SER A 39 -7.898 2.833 1.204 1.00 0.00 H new ATOM 530 N PHE A 40 -4.350 -0.232 1.175 1.00 0.00 N ATOM 531 CA PHE A 40 -3.975 -1.107 0.070 1.00 0.00 C ATOM 532 C PHE A 40 -4.387 -2.548 0.353 1.00 0.00 C ATOM 533 O PHE A 40 -4.646 -2.919 1.498 1.00 0.00 O ATOM 534 CB PHE A 40 -2.466 -1.035 -0.175 1.00 0.00 C ATOM 535 CG PHE A 40 -1.997 0.315 -0.637 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.207 0.726 -1.944 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.346 1.173 0.235 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.777 1.968 -2.372 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.915 2.416 -0.188 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.129 2.813 -1.493 1.00 0.00 C ATOM 0 H PHE A 40 -4.445 -0.705 2.074 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.499 -0.767 -0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.944 -1.297 0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.191 -1.781 -0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.712 0.068 -2.636 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.174 0.867 1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.948 2.277 -3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.411 3.077 0.502 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.790 3.783 -1.826 1.00 0.00 H new ATOM 550 N CYS A 41 -4.448 -3.357 -0.700 1.00 0.00 N ATOM 551 CA CYS A 41 -4.830 -4.758 -0.567 1.00 0.00 C ATOM 552 C CYS A 41 -3.640 -5.607 -0.130 1.00 0.00 C ATOM 553 O CYS A 41 -2.535 -5.098 0.057 1.00 0.00 O ATOM 554 CB CYS A 41 -5.387 -5.284 -1.892 1.00 0.00 C ATOM 555 SG CYS A 41 -4.211 -5.195 -3.280 1.00 0.00 S ATOM 0 H CYS A 41 -4.238 -3.066 -1.655 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.603 -4.827 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.697 -6.320 -1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.280 -4.715 -2.150 1.00 0.00 H new ATOM 560 N SER A 42 -3.874 -6.906 0.031 1.00 0.00 N ATOM 561 CA SER A 42 -2.823 -7.826 0.450 1.00 0.00 C ATOM 562 C SER A 42 -1.955 -8.235 -0.737 1.00 0.00 C ATOM 563 O SER A 42 -1.147 -9.159 -0.639 1.00 0.00 O ATOM 564 CB SER A 42 -3.434 -9.068 1.101 1.00 0.00 C ATOM 565 OG SER A 42 -4.240 -9.783 0.181 1.00 0.00 O ATOM 0 H SER A 42 -4.782 -7.345 -0.122 1.00 0.00 H new ATOM 0 HA SER A 42 -2.194 -7.314 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.640 -9.715 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.034 -8.773 1.962 1.00 0.00 H new ATOM 0 HG SER A 42 -4.617 -10.573 0.622 1.00 0.00 H new ATOM 571 N ARG A 43 -2.129 -7.540 -1.856 1.00 0.00 N ATOM 572 CA ARG A 43 -1.363 -7.831 -3.062 1.00 0.00 C ATOM 573 C ARG A 43 -0.525 -6.625 -3.478 1.00 0.00 C ATOM 574 O ARG A 43 0.487 -6.765 -4.165 1.00 0.00 O ATOM 575 CB ARG A 43 -2.300 -8.233 -4.202 1.00 0.00 C ATOM 576 CG ARG A 43 -3.006 -9.559 -3.972 1.00 0.00 C ATOM 577 CD ARG A 43 -2.184 -10.726 -4.496 1.00 0.00 C ATOM 578 NE ARG A 43 -2.975 -11.949 -4.601 1.00 0.00 N ATOM 579 CZ ARG A 43 -3.303 -12.703 -3.558 1.00 0.00 C ATOM 580 NH1 ARG A 43 -2.911 -12.361 -2.338 1.00 0.00 N ATOM 581 NH2 ARG A 43 -4.025 -13.802 -3.734 1.00 0.00 N ATOM 0 H ARG A 43 -2.793 -6.772 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.691 -8.661 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.048 -7.452 -4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.728 -8.292 -5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.192 -9.693 -2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.977 -9.546 -4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.777 -10.472 -5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.336 -10.899 -3.833 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.293 -12.240 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.356 -11.517 -2.199 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.165 -12.942 -1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.328 -14.068 -4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.277 -14.381 -2.933 1.00 0.00 H new ATOM 595 N CYS A 44 -0.955 -5.440 -3.058 1.00 0.00 N ATOM 596 CA CYS A 44 -0.247 -4.208 -3.387 1.00 0.00 C ATOM 597 C CYS A 44 0.703 -3.810 -2.261 1.00 0.00 C ATOM 598 O CYS A 44 1.776 -3.258 -2.507 1.00 0.00 O ATOM 599 CB CYS A 44 -1.243 -3.078 -3.652 1.00 0.00 C ATOM 600 SG CYS A 44 -2.153 -3.242 -5.222 1.00 0.00 S ATOM 0 H CYS A 44 -1.791 -5.307 -2.489 1.00 0.00 H new ATOM 0 HA CYS A 44 0.340 -4.385 -4.289 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.959 -3.040 -2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.707 -2.129 -3.652 1.00 0.00 H new ATOM 605 N CYS A 45 0.301 -4.094 -1.027 1.00 0.00 N ATOM 606 CA CYS A 45 1.116 -3.765 0.137 1.00 0.00 C ATOM 607 C CYS A 45 1.991 -4.947 0.540 1.00 0.00 C ATOM 608 O CYS A 45 2.220 -5.187 1.726 1.00 0.00 O ATOM 609 CB CYS A 45 0.224 -3.351 1.309 1.00 0.00 C ATOM 610 SG CYS A 45 1.132 -2.717 2.739 1.00 0.00 S ATOM 0 H CYS A 45 -0.584 -4.551 -0.807 1.00 0.00 H new ATOM 0 HA CYS A 45 1.765 -2.931 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.475 -2.587 0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.370 -4.210 1.621 1.00 0.00 H new ATOM 0 HG CYS A 45 1.893 -3.654 3.220 1.00 0.00 H new ATOM 616 N SER A 46 2.475 -5.684 -0.454 1.00 0.00 N ATOM 617 CA SER A 46 3.320 -6.846 -0.203 1.00 0.00 C ATOM 618 C SER A 46 4.739 -6.605 -0.709 1.00 0.00 C ATOM 619 O SER A 46 5.388 -7.513 -1.228 1.00 0.00 O ATOM 620 CB SER A 46 2.731 -8.087 -0.875 1.00 0.00 C ATOM 621 OG SER A 46 3.066 -9.263 -0.159 1.00 0.00 O ATOM 0 H SER A 46 2.297 -5.497 -1.441 1.00 0.00 H new ATOM 0 HA SER A 46 3.359 -7.009 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.647 -7.991 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.102 -8.162 -1.897 1.00 0.00 H new ATOM 0 HG SER A 46 2.676 -10.042 -0.608 1.00 0.00 H new ATOM 627 N PHE A 47 5.215 -5.373 -0.555 1.00 0.00 N ATOM 628 CA PHE A 47 6.556 -5.011 -0.997 1.00 0.00 C ATOM 629 C PHE A 47 7.432 -4.618 0.189 1.00 0.00 C ATOM 630 O PHE A 47 7.202 -3.594 0.833 1.00 0.00 O ATOM 631 CB PHE A 47 6.491 -3.859 -2.002 1.00 0.00 C ATOM 632 CG PHE A 47 5.885 -4.246 -3.321 1.00 0.00 C ATOM 633 CD1 PHE A 47 6.654 -4.857 -4.298 1.00 0.00 C ATOM 634 CD2 PHE A 47 4.547 -4.001 -3.582 1.00 0.00 C ATOM 635 CE1 PHE A 47 6.099 -5.214 -5.513 1.00 0.00 C ATOM 636 CE2 PHE A 47 3.986 -4.356 -4.795 1.00 0.00 C ATOM 637 CZ PHE A 47 4.763 -4.964 -5.761 1.00 0.00 C ATOM 0 H PHE A 47 4.691 -4.609 -0.127 1.00 0.00 H new ATOM 0 HA PHE A 47 7.000 -5.881 -1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.911 -3.043 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.498 -3.479 -2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.698 -5.057 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.935 -3.527 -2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.709 -5.688 -6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.942 -4.158 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.327 -5.244 -6.709 1.00 0.00 H new ATOM 647 N LYS A 48 8.438 -5.439 0.471 1.00 0.00 N ATOM 648 CA LYS A 48 9.350 -5.179 1.579 1.00 0.00 C ATOM 649 C LYS A 48 10.427 -4.178 1.173 1.00 0.00 C ATOM 650 O LYS A 48 11.194 -4.420 0.240 1.00 0.00 O ATOM 651 CB LYS A 48 10.000 -6.483 2.047 1.00 0.00 C ATOM 652 CG LYS A 48 9.066 -7.377 2.844 1.00 0.00 C ATOM 653 CD LYS A 48 9.829 -8.462 3.584 1.00 0.00 C ATOM 654 CE LYS A 48 10.334 -7.968 4.931 1.00 0.00 C ATOM 655 NZ LYS A 48 10.425 -9.071 5.928 1.00 0.00 N ATOM 0 H LYS A 48 8.642 -6.290 -0.052 1.00 0.00 H new ATOM 0 HA LYS A 48 8.774 -4.752 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.360 -7.032 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.871 -6.246 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.505 -6.774 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.339 -7.835 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.182 -9.327 3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.672 -8.794 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.315 -7.510 4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.666 -7.193 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.773 -8.694 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.484 -9.492 6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.082 -9.799 5.581 1.00 0.00 H new ATOM 669 N VAL A 49 10.482 -3.054 1.880 1.00 0.00 N ATOM 670 CA VAL A 49 11.467 -2.018 1.595 1.00 0.00 C ATOM 671 C VAL A 49 12.115 -1.508 2.877 1.00 0.00 C ATOM 672 O VAL A 49 11.476 -1.400 3.924 1.00 0.00 O ATOM 673 CB VAL A 49 10.833 -0.831 0.845 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.241 -1.290 -0.479 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.774 -0.162 1.708 1.00 0.00 C ATOM 0 H VAL A 49 9.855 -2.838 2.655 1.00 0.00 H new ATOM 0 HA VAL A 49 12.229 -2.472 0.962 1.00 0.00 H new ATOM 0 HB VAL A 49 11.613 -0.099 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.798 -0.438 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.027 -1.720 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.473 -2.041 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.336 0.674 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.995 -0.884 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.231 0.203 2.627 1.00 0.00 H new ATOM 685 N PRO A 50 13.414 -1.185 2.795 1.00 0.00 N ATOM 686 CA PRO A 50 14.177 -0.680 3.940 1.00 0.00 C ATOM 687 C PRO A 50 13.753 0.728 4.344 1.00 0.00 C ATOM 688 O PRO A 50 13.718 1.639 3.516 1.00 0.00 O ATOM 689 CB PRO A 50 15.621 -0.677 3.431 1.00 0.00 C ATOM 690 CG PRO A 50 15.500 -0.561 1.951 1.00 0.00 C ATOM 691 CD PRO A 50 14.238 -1.289 1.579 1.00 0.00 C ATOM 0 HA PRO A 50 14.025 -1.290 4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.186 0.156 3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.143 -1.591 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.452 0.484 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.365 -1.000 1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.747 -0.830 0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.436 -2.328 1.315 1.00 0.00 H new ATOM 699 N LYS A 51 13.431 0.901 5.621 1.00 0.00 N ATOM 700 CA LYS A 51 13.010 2.198 6.136 1.00 0.00 C ATOM 701 C LYS A 51 14.214 3.100 6.389 1.00 0.00 C ATOM 702 O LYS A 51 14.138 4.316 6.213 1.00 0.00 O ATOM 703 CB LYS A 51 12.211 2.022 7.430 1.00 0.00 C ATOM 704 CG LYS A 51 12.931 1.196 8.482 1.00 0.00 C ATOM 705 CD LYS A 51 12.338 1.413 9.864 1.00 0.00 C ATOM 706 CE LYS A 51 11.165 0.479 10.120 1.00 0.00 C ATOM 707 NZ LYS A 51 10.862 0.356 11.573 1.00 0.00 N ATOM 0 H LYS A 51 13.454 0.158 6.319 1.00 0.00 H new ATOM 0 HA LYS A 51 12.376 2.670 5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.985 3.005 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.258 1.547 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.870 0.140 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.988 1.461 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.106 1.250 10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.009 2.448 9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.284 0.849 9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.389 -0.506 9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.357 -0.536 11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.750 0.363 12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.267 1.155 11.872 1.00 0.00 H new ATOM 721 N SER A 52 15.324 2.496 6.802 1.00 0.00 N ATOM 722 CA SER A 52 16.543 3.245 7.080 1.00 0.00 C ATOM 723 C SER A 52 16.858 4.212 5.944 1.00 0.00 C ATOM 724 O SER A 52 17.552 5.211 6.138 1.00 0.00 O ATOM 725 CB SER A 52 17.718 2.288 7.292 1.00 0.00 C ATOM 726 OG SER A 52 18.950 2.987 7.299 1.00 0.00 O ATOM 0 H SER A 52 15.404 1.490 6.951 1.00 0.00 H new ATOM 0 HA SER A 52 16.385 3.822 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.593 1.756 8.235 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.727 1.537 6.502 1.00 0.00 H new ATOM 0 HG SER A 52 19.685 2.353 7.438 1.00 0.00 H new ATOM 732 N SER A 53 16.344 3.908 4.756 1.00 0.00 N ATOM 733 CA SER A 53 16.573 4.747 3.586 1.00 0.00 C ATOM 734 C SER A 53 15.298 5.484 3.187 1.00 0.00 C ATOM 735 O SER A 53 14.827 5.365 2.056 1.00 0.00 O ATOM 736 CB SER A 53 17.074 3.900 2.415 1.00 0.00 C ATOM 737 OG SER A 53 16.255 2.759 2.224 1.00 0.00 O ATOM 0 H SER A 53 15.766 3.086 4.579 1.00 0.00 H new ATOM 0 HA SER A 53 17.333 5.485 3.842 1.00 0.00 H new ATOM 0 HB2 SER A 53 17.084 4.501 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 53 18.101 3.587 2.602 1.00 0.00 H new ATOM 0 HG SER A 53 15.333 3.043 2.051 1.00 0.00 H new ATOM 743 N MET A 54 14.744 6.244 4.126 1.00 0.00 N ATOM 744 CA MET A 54 13.523 7.001 3.872 1.00 0.00 C ATOM 745 C MET A 54 13.706 8.469 4.246 1.00 0.00 C ATOM 746 O MET A 54 13.227 8.919 5.286 1.00 0.00 O ATOM 747 CB MET A 54 12.355 6.405 4.660 1.00 0.00 C ATOM 748 CG MET A 54 11.745 5.176 4.005 1.00 0.00 C ATOM 749 SD MET A 54 10.043 4.884 4.526 1.00 0.00 S ATOM 750 CE MET A 54 9.861 3.147 4.129 1.00 0.00 C ATOM 0 H MET A 54 15.120 6.352 5.068 1.00 0.00 H new ATOM 0 HA MET A 54 13.302 6.940 2.806 1.00 0.00 H new ATOM 0 HB2 MET A 54 12.699 6.141 5.660 1.00 0.00 H new ATOM 0 HB3 MET A 54 11.582 7.165 4.779 1.00 0.00 H new ATOM 0 HG2 MET A 54 11.774 5.294 2.922 1.00 0.00 H new ATOM 0 HG3 MET A 54 12.350 4.302 4.247 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.812 2.927 3.930 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.455 2.911 3.246 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.205 2.544 4.969 1.00 0.00 H new ATOM 760 N GLY A 55 14.403 9.210 3.390 1.00 0.00 N ATOM 761 CA GLY A 55 14.638 10.619 3.648 1.00 0.00 C ATOM 762 C GLY A 55 15.581 10.846 4.813 1.00 0.00 C ATOM 763 O GLY A 55 16.800 10.833 4.645 1.00 0.00 O ATOM 0 H GLY A 55 14.809 8.860 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.052 11.085 2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.687 11.111 3.853 1.00 0.00 H new ATOM 767 N ALA A 56 15.016 11.056 5.998 1.00 0.00 N ATOM 768 CA ALA A 56 15.815 11.286 7.195 1.00 0.00 C ATOM 769 C ALA A 56 15.878 10.033 8.062 1.00 0.00 C ATOM 770 O ALA A 56 14.920 9.700 8.762 1.00 0.00 O ATOM 771 CB ALA A 56 15.249 12.453 7.990 1.00 0.00 C ATOM 0 H ALA A 56 14.008 11.071 6.154 1.00 0.00 H new ATOM 0 HA ALA A 56 16.830 11.531 6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.855 12.614 8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.262 13.353 7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.223 12.230 8.284 1.00 0.00 H new ATOM 777 N THR A 57 17.011 9.340 8.012 1.00 0.00 N ATOM 778 CA THR A 57 17.198 8.123 8.792 1.00 0.00 C ATOM 779 C THR A 57 17.359 8.439 10.274 1.00 0.00 C ATOM 780 O THR A 57 17.898 9.482 10.641 1.00 0.00 O ATOM 781 CB THR A 57 18.429 7.332 8.311 1.00 0.00 C ATOM 782 OG1 THR A 57 18.517 6.088 9.014 1.00 0.00 O ATOM 783 CG2 THR A 57 19.705 8.132 8.524 1.00 0.00 C ATOM 0 H THR A 57 17.814 9.601 7.439 1.00 0.00 H new ATOM 0 HA THR A 57 16.305 7.515 8.648 1.00 0.00 H new ATOM 0 HB THR A 57 18.315 7.139 7.244 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.301 5.590 8.701 1.00 0.00 H new ATOM 0 HG21 THR A 57 20.560 7.552 8.177 1.00 0.00 H new ATOM 0 HG22 THR A 57 19.647 9.065 7.963 1.00 0.00 H new ATOM 0 HG23 THR A 57 19.823 8.353 9.585 1.00 0.00 H new ATOM 791 N ALA A 58 16.888 7.531 11.122 1.00 0.00 N ATOM 792 CA ALA A 58 16.982 7.712 12.566 1.00 0.00 C ATOM 793 C ALA A 58 17.832 6.617 13.202 1.00 0.00 C ATOM 794 O ALA A 58 17.917 5.495 12.702 1.00 0.00 O ATOM 795 CB ALA A 58 15.594 7.733 13.187 1.00 0.00 C ATOM 0 H ALA A 58 16.437 6.662 10.834 1.00 0.00 H new ATOM 0 HA ALA A 58 17.467 8.669 12.756 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.680 7.869 14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.018 8.555 12.762 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.088 6.790 12.979 1.00 0.00 H new ATOM 801 N PRO A 59 18.476 6.947 14.331 1.00 0.00 N ATOM 802 CA PRO A 59 19.330 6.005 15.060 1.00 0.00 C ATOM 803 C PRO A 59 18.529 4.893 15.727 1.00 0.00 C ATOM 804 O PRO A 59 19.092 4.027 16.396 1.00 0.00 O ATOM 805 CB PRO A 59 20.007 6.883 16.115 1.00 0.00 C ATOM 806 CG PRO A 59 19.070 8.023 16.317 1.00 0.00 C ATOM 807 CD PRO A 59 18.419 8.266 14.983 1.00 0.00 C ATOM 0 HA PRO A 59 20.029 5.494 14.399 1.00 0.00 H new ATOM 0 HB2 PRO A 59 20.168 6.334 17.043 1.00 0.00 H new ATOM 0 HB3 PRO A 59 20.983 7.228 15.775 1.00 0.00 H new ATOM 0 HG2 PRO A 59 18.326 7.786 17.077 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.603 8.910 16.658 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.393 8.615 15.094 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.952 9.022 14.407 1.00 0.00 H new ATOM 815 N GLU A 60 17.213 4.923 15.539 1.00 0.00 N ATOM 816 CA GLU A 60 16.336 3.916 16.124 1.00 0.00 C ATOM 817 C GLU A 60 15.839 2.943 15.059 1.00 0.00 C ATOM 818 O GLU A 60 15.464 1.811 15.363 1.00 0.00 O ATOM 819 CB GLU A 60 15.146 4.584 16.816 1.00 0.00 C ATOM 820 CG GLU A 60 14.344 5.495 15.901 1.00 0.00 C ATOM 821 CD GLU A 60 12.929 5.721 16.398 1.00 0.00 C ATOM 822 OE1 GLU A 60 12.763 6.018 17.600 1.00 0.00 O ATOM 823 OE2 GLU A 60 11.988 5.601 15.586 1.00 0.00 O ATOM 0 H GLU A 60 16.732 5.633 14.987 1.00 0.00 H new ATOM 0 HA GLU A 60 16.909 3.357 16.863 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.488 3.812 17.214 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.508 5.163 17.665 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.852 6.455 15.814 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.309 5.061 14.902 1.00 0.00 H new ATOM 830 N ALA A 61 15.837 3.393 13.809 1.00 0.00 N ATOM 831 CA ALA A 61 15.388 2.563 12.698 1.00 0.00 C ATOM 832 C ALA A 61 16.521 2.305 11.711 1.00 0.00 C ATOM 833 O ALA A 61 16.757 3.099 10.802 1.00 0.00 O ATOM 834 CB ALA A 61 14.210 3.219 11.992 1.00 0.00 C ATOM 0 H ALA A 61 16.142 4.329 13.540 1.00 0.00 H new ATOM 0 HA ALA A 61 15.068 1.602 13.101 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.885 2.589 11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.388 3.345 12.697 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.512 4.194 11.609 1.00 0.00 H new ATOM 840 N GLN A 62 17.220 1.190 11.899 1.00 0.00 N ATOM 841 CA GLN A 62 18.331 0.829 11.025 1.00 0.00 C ATOM 842 C GLN A 62 18.187 -0.605 10.527 1.00 0.00 C ATOM 843 O GLN A 62 17.568 -1.442 11.184 1.00 0.00 O ATOM 844 CB GLN A 62 19.661 0.995 11.762 1.00 0.00 C ATOM 845 CG GLN A 62 20.186 2.422 11.756 1.00 0.00 C ATOM 846 CD GLN A 62 21.684 2.494 11.980 1.00 0.00 C ATOM 847 OE1 GLN A 62 22.399 1.509 11.793 1.00 0.00 O ATOM 848 NE2 GLN A 62 22.167 3.663 12.382 1.00 0.00 N ATOM 0 H GLN A 62 17.037 0.522 12.648 1.00 0.00 H new ATOM 0 HA GLN A 62 18.315 1.497 10.163 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.539 0.666 12.794 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.404 0.341 11.305 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.942 2.891 10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.679 2.995 12.532 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.538 4.453 12.524 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.167 3.771 12.548 1.00 0.00 H new ATOM 857 N ARG A 63 18.763 -0.881 9.361 1.00 0.00 N ATOM 858 CA ARG A 63 18.698 -2.214 8.774 1.00 0.00 C ATOM 859 C ARG A 63 17.339 -2.857 9.035 1.00 0.00 C ATOM 860 O ARG A 63 17.251 -4.053 9.312 1.00 0.00 O ATOM 861 CB ARG A 63 19.810 -3.099 9.340 1.00 0.00 C ATOM 862 CG ARG A 63 21.207 -2.645 8.951 1.00 0.00 C ATOM 863 CD ARG A 63 22.267 -3.284 9.834 1.00 0.00 C ATOM 864 NE ARG A 63 23.596 -3.213 9.233 1.00 0.00 N ATOM 865 CZ ARG A 63 24.720 -3.155 9.939 1.00 0.00 C ATOM 866 NH1 ARG A 63 24.675 -3.161 11.264 1.00 0.00 N ATOM 867 NH2 ARG A 63 25.892 -3.092 9.319 1.00 0.00 N ATOM 0 H ARG A 63 19.279 -0.200 8.805 1.00 0.00 H new ATOM 0 HA ARG A 63 18.834 -2.116 7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.732 -3.115 10.427 1.00 0.00 H new ATOM 0 HB3 ARG A 63 19.660 -4.122 8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 63 21.397 -2.902 7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 63 21.273 -1.560 9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 63 22.280 -2.785 10.803 1.00 0.00 H new ATOM 0 HD3 ARG A 63 22.007 -4.327 10.016 1.00 0.00 H new ATOM 0 HE ARG A 63 23.665 -3.208 8.215 1.00 0.00 H new ATOM 0 HH11 ARG A 63 23.776 -3.210 11.744 1.00 0.00 H new ATOM 0 HH12 ARG A 63 25.539 -3.116 11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 63 25.930 -3.088 8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 63 26.754 -3.047 9.862 1.00 0.00 H new ATOM 881 N GLU A 64 16.283 -2.055 8.945 1.00 0.00 N ATOM 882 CA GLU A 64 14.929 -2.546 9.173 1.00 0.00 C ATOM 883 C GLU A 64 14.156 -2.639 7.861 1.00 0.00 C ATOM 884 O GLU A 64 14.454 -1.930 6.899 1.00 0.00 O ATOM 885 CB GLU A 64 14.188 -1.632 10.151 1.00 0.00 C ATOM 886 CG GLU A 64 12.892 -2.225 10.677 1.00 0.00 C ATOM 887 CD GLU A 64 13.117 -3.479 11.500 1.00 0.00 C ATOM 888 OE1 GLU A 64 14.226 -3.635 12.052 1.00 0.00 O ATOM 889 OE2 GLU A 64 12.183 -4.304 11.592 1.00 0.00 O ATOM 0 H GLU A 64 16.339 -1.063 8.716 1.00 0.00 H new ATOM 0 HA GLU A 64 15.000 -3.544 9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.843 -1.408 10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.970 -0.686 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.378 -1.482 11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.236 -2.458 9.838 1.00 0.00 H new ATOM 896 N THR A 65 13.159 -3.518 7.829 1.00 0.00 N ATOM 897 CA THR A 65 12.344 -3.706 6.636 1.00 0.00 C ATOM 898 C THR A 65 10.869 -3.462 6.934 1.00 0.00 C ATOM 899 O THR A 65 10.356 -3.888 7.969 1.00 0.00 O ATOM 900 CB THR A 65 12.511 -5.124 6.058 1.00 0.00 C ATOM 901 OG1 THR A 65 12.202 -6.101 7.058 1.00 0.00 O ATOM 902 CG2 THR A 65 13.931 -5.339 5.554 1.00 0.00 C ATOM 0 H THR A 65 12.897 -4.111 8.616 1.00 0.00 H new ATOM 0 HA THR A 65 12.689 -2.979 5.901 1.00 0.00 H new ATOM 0 HB THR A 65 11.823 -5.233 5.219 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.309 -6.999 6.682 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.025 -6.347 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.153 -4.613 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.633 -5.211 6.378 1.00 0.00 H new ATOM 910 N VAL A 66 10.190 -2.776 6.020 1.00 0.00 N ATOM 911 CA VAL A 66 8.773 -2.477 6.185 1.00 0.00 C ATOM 912 C VAL A 66 7.983 -2.852 4.936 1.00 0.00 C ATOM 913 O VAL A 66 8.560 -3.150 3.890 1.00 0.00 O ATOM 914 CB VAL A 66 8.546 -0.985 6.493 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.179 -0.613 7.825 1.00 0.00 C ATOM 916 CG2 VAL A 66 9.098 -0.120 5.370 1.00 0.00 C ATOM 0 H VAL A 66 10.599 -2.417 5.157 1.00 0.00 H new ATOM 0 HA VAL A 66 8.420 -3.072 7.027 1.00 0.00 H new ATOM 0 HB VAL A 66 7.473 -0.805 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.009 0.445 8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.732 -1.210 8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.251 -0.807 7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.929 0.931 5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.168 -0.301 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.593 -0.370 4.437 1.00 0.00 H new ATOM 926 N PHE A 67 6.660 -2.836 5.052 1.00 0.00 N ATOM 927 CA PHE A 67 5.790 -3.176 3.932 1.00 0.00 C ATOM 928 C PHE A 67 5.129 -1.926 3.359 1.00 0.00 C ATOM 929 O PHE A 67 4.419 -1.207 4.062 1.00 0.00 O ATOM 930 CB PHE A 67 4.719 -4.175 4.375 1.00 0.00 C ATOM 931 CG PHE A 67 5.217 -5.589 4.460 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.396 -6.344 3.312 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.507 -6.164 5.687 1.00 0.00 C ATOM 934 CE1 PHE A 67 5.853 -7.647 3.387 1.00 0.00 C ATOM 935 CE2 PHE A 67 5.965 -7.465 5.768 1.00 0.00 C ATOM 936 CZ PHE A 67 6.140 -8.207 4.617 1.00 0.00 C ATOM 0 H PHE A 67 6.166 -2.591 5.910 1.00 0.00 H new ATOM 0 HA PHE A 67 6.402 -3.632 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.334 -3.875 5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.884 -4.134 3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.176 -5.910 2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.373 -5.588 6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.985 -8.226 2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.186 -7.901 6.731 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.501 -9.223 4.678 1.00 0.00 H new ATOM 946 N VAL A 68 5.368 -1.673 2.076 1.00 0.00 N ATOM 947 CA VAL A 68 4.797 -0.510 1.406 1.00 0.00 C ATOM 948 C VAL A 68 3.937 -0.928 0.219 1.00 0.00 C ATOM 949 O VAL A 68 3.799 -2.116 -0.075 1.00 0.00 O ATOM 950 CB VAL A 68 5.895 0.452 0.918 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.831 0.819 2.059 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.667 -0.164 -0.239 1.00 0.00 C ATOM 0 H VAL A 68 5.953 -2.258 1.480 1.00 0.00 H new ATOM 0 HA VAL A 68 4.175 0.004 2.139 1.00 0.00 H new ATOM 0 HB VAL A 68 5.420 1.366 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.600 1.500 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.264 1.305 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.301 -0.084 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.439 0.530 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.131 -1.094 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.984 -0.369 -1.064 1.00 0.00 H new ATOM 962 N CYS A 69 3.360 0.057 -0.462 1.00 0.00 N ATOM 963 CA CYS A 69 2.513 -0.207 -1.619 1.00 0.00 C ATOM 964 C CYS A 69 3.307 -0.077 -2.916 1.00 0.00 C ATOM 965 O CYS A 69 4.247 0.712 -3.003 1.00 0.00 O ATOM 966 CB CYS A 69 1.324 0.756 -1.637 1.00 0.00 C ATOM 967 SG CYS A 69 1.776 2.488 -1.976 1.00 0.00 S ATOM 0 H CYS A 69 3.464 1.045 -0.232 1.00 0.00 H new ATOM 0 HA CYS A 69 2.143 -1.229 -1.541 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.612 0.423 -2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.815 0.706 -0.674 1.00 0.00 H new ATOM 972 N ALA A 70 2.921 -0.857 -3.920 1.00 0.00 N ATOM 973 CA ALA A 70 3.594 -0.828 -5.212 1.00 0.00 C ATOM 974 C ALA A 70 3.996 0.594 -5.590 1.00 0.00 C ATOM 975 O ALA A 70 5.146 0.851 -5.944 1.00 0.00 O ATOM 976 CB ALA A 70 2.701 -1.429 -6.287 1.00 0.00 C ATOM 0 H ALA A 70 2.145 -1.517 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 70 4.502 -1.426 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.217 -1.400 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.468 -2.463 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.777 -0.855 -6.355 1.00 0.00 H new ATOM 982 N SER A 71 3.040 1.514 -5.513 1.00 0.00 N ATOM 983 CA SER A 71 3.293 2.910 -5.851 1.00 0.00 C ATOM 984 C SER A 71 4.576 3.405 -5.191 1.00 0.00 C ATOM 985 O SER A 71 5.448 3.974 -5.849 1.00 0.00 O ATOM 986 CB SER A 71 2.114 3.784 -5.419 1.00 0.00 C ATOM 987 OG SER A 71 1.055 3.712 -6.358 1.00 0.00 O ATOM 0 H SER A 71 2.083 1.318 -5.220 1.00 0.00 H new ATOM 0 HA SER A 71 3.411 2.980 -6.932 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.759 3.463 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.443 4.818 -5.315 1.00 0.00 H new ATOM 0 HG SER A 71 0.313 4.278 -6.058 1.00 0.00 H new ATOM 993 N CYS A 72 4.686 3.183 -3.885 1.00 0.00 N ATOM 994 CA CYS A 72 5.861 3.606 -3.133 1.00 0.00 C ATOM 995 C CYS A 72 7.046 2.688 -3.415 1.00 0.00 C ATOM 996 O CYS A 72 8.094 3.135 -3.880 1.00 0.00 O ATOM 997 CB CYS A 72 5.556 3.617 -1.634 1.00 0.00 C ATOM 998 SG CYS A 72 4.264 4.806 -1.147 1.00 0.00 S ATOM 0 H CYS A 72 3.975 2.712 -3.326 1.00 0.00 H new ATOM 0 HA CYS A 72 6.122 4.615 -3.451 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.248 2.617 -1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.471 3.848 -1.089 1.00 0.00 H new ATOM 1003 N ASN A 73 6.872 1.402 -3.130 1.00 0.00 N ATOM 1004 CA ASN A 73 7.928 0.420 -3.353 1.00 0.00 C ATOM 1005 C ASN A 73 8.732 0.760 -4.604 1.00 0.00 C ATOM 1006 O ASN A 73 9.956 0.633 -4.620 1.00 0.00 O ATOM 1007 CB ASN A 73 7.330 -0.982 -3.484 1.00 0.00 C ATOM 1008 CG ASN A 73 8.346 -2.002 -3.959 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.252 -2.384 -3.218 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.199 -2.449 -5.201 1.00 0.00 N ATOM 0 H ASN A 73 6.011 1.015 -2.744 1.00 0.00 H new ATOM 0 HA ASN A 73 8.598 0.443 -2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.929 -1.295 -2.520 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.494 -0.954 -4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.852 -3.137 -5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.433 -2.104 -5.780 1.00 0.00 H new ATOM 1017 N GLN A 74 8.035 1.194 -5.649 1.00 0.00 N ATOM 1018 CA GLN A 74 8.685 1.552 -6.904 1.00 0.00 C ATOM 1019 C GLN A 74 9.522 2.816 -6.742 1.00 0.00 C ATOM 1020 O GLN A 74 10.659 2.886 -7.211 1.00 0.00 O ATOM 1021 CB GLN A 74 7.641 1.755 -8.004 1.00 0.00 C ATOM 1022 CG GLN A 74 7.156 0.458 -8.630 1.00 0.00 C ATOM 1023 CD GLN A 74 8.116 -0.083 -9.671 1.00 0.00 C ATOM 1024 OE1 GLN A 74 8.423 0.588 -10.657 1.00 0.00 O ATOM 1025 NE2 GLN A 74 8.598 -1.302 -9.456 1.00 0.00 N ATOM 0 H GLN A 74 7.021 1.306 -5.652 1.00 0.00 H new ATOM 0 HA GLN A 74 9.347 0.734 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.787 2.290 -7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.065 2.388 -8.783 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.016 -0.288 -7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.182 0.623 -9.091 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.316 -1.823 -8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.250 -1.717 -10.122 1.00 0.00 H new ATOM 1034 N THR A 75 8.953 3.816 -6.075 1.00 0.00 N ATOM 1035 CA THR A 75 9.646 5.078 -5.852 1.00 0.00 C ATOM 1036 C THR A 75 10.854 4.889 -4.941 1.00 0.00 C ATOM 1037 O THR A 75 11.934 5.418 -5.207 1.00 0.00 O ATOM 1038 CB THR A 75 8.709 6.132 -5.232 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.594 6.366 -6.099 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.450 7.438 -4.987 1.00 0.00 C ATOM 0 H THR A 75 8.013 3.775 -5.680 1.00 0.00 H new ATOM 0 HA THR A 75 9.982 5.430 -6.827 1.00 0.00 H new ATOM 0 HB THR A 75 8.352 5.751 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.945 5.638 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.768 8.167 -4.549 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.281 7.262 -4.304 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.833 7.822 -5.933 1.00 0.00 H new ATOM 1048 N LEU A 76 10.664 4.133 -3.866 1.00 0.00 N ATOM 1049 CA LEU A 76 11.739 3.873 -2.914 1.00 0.00 C ATOM 1050 C LEU A 76 12.904 3.158 -3.590 1.00 0.00 C ATOM 1051 O LEU A 76 14.041 3.629 -3.553 1.00 0.00 O ATOM 1052 CB LEU A 76 11.220 3.034 -1.745 1.00 0.00 C ATOM 1053 CG LEU A 76 10.080 3.648 -0.932 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.520 2.633 0.052 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.556 4.895 -0.203 1.00 0.00 C ATOM 0 H LEU A 76 9.776 3.689 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 76 12.095 4.831 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.885 2.073 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.052 2.832 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 76 9.283 3.936 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.710 3.088 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.140 1.769 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.308 2.314 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.731 5.318 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.371 4.633 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.908 5.629 -0.928 1.00 0.00 H new ATOM 1067 N SER A 77 12.613 2.018 -4.210 1.00 0.00 N ATOM 1068 CA SER A 77 13.637 1.237 -4.894 1.00 0.00 C ATOM 1069 C SER A 77 14.577 2.145 -5.682 1.00 0.00 C ATOM 1070 O SER A 77 15.782 2.178 -5.432 1.00 0.00 O ATOM 1071 CB SER A 77 12.989 0.217 -5.832 1.00 0.00 C ATOM 1072 OG SER A 77 13.956 -0.396 -6.666 1.00 0.00 O ATOM 0 H SER A 77 11.677 1.615 -4.252 1.00 0.00 H new ATOM 0 HA SER A 77 14.219 0.707 -4.140 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.474 -0.545 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.235 0.710 -6.446 1.00 0.00 H new ATOM 0 HG SER A 77 13.516 -1.045 -7.255 1.00 0.00 H new ATOM 1078 N LYS A 78 14.017 2.880 -6.636 1.00 0.00 N ATOM 1079 CA LYS A 78 14.802 3.790 -7.462 1.00 0.00 C ATOM 1080 C LYS A 78 15.398 4.913 -6.619 1.00 0.00 C ATOM 1081 O LYS A 78 14.727 5.475 -5.754 1.00 0.00 O ATOM 1082 CB LYS A 78 13.932 4.380 -8.575 1.00 0.00 C ATOM 1083 CG LYS A 78 12.838 5.303 -8.067 1.00 0.00 C ATOM 1084 CD LYS A 78 12.176 6.062 -9.205 1.00 0.00 C ATOM 1085 CE LYS A 78 11.170 5.193 -9.943 1.00 0.00 C ATOM 1086 NZ LYS A 78 9.865 5.127 -9.229 1.00 0.00 N ATOM 0 H LYS A 78 13.021 2.864 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 78 15.618 3.223 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.568 4.931 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.476 3.566 -9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.088 4.720 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.260 6.011 -7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.675 6.946 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.937 6.411 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.015 5.589 -10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.573 4.187 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.110 4.895 -9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.908 4.393 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.664 6.047 -8.788 1.00 0.00 H new ATOM 1100 N SER A 79 16.661 5.234 -6.879 1.00 0.00 N ATOM 1101 CA SER A 79 17.348 6.289 -6.142 1.00 0.00 C ATOM 1102 C SER A 79 17.100 7.650 -6.783 1.00 0.00 C ATOM 1103 O SER A 79 17.261 7.819 -7.991 1.00 0.00 O ATOM 1104 CB SER A 79 18.851 6.005 -6.086 1.00 0.00 C ATOM 1105 OG SER A 79 19.502 6.882 -5.184 1.00 0.00 O ATOM 0 H SER A 79 17.229 4.779 -7.594 1.00 0.00 H new ATOM 0 HA SER A 79 16.950 6.307 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 79 19.018 4.973 -5.779 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.283 6.115 -7.081 1.00 0.00 H new ATOM 0 HG SER A 79 20.461 6.679 -5.165 1.00 0.00 H new ATOM 1111 N GLY A 80 16.704 8.620 -5.964 1.00 0.00 N ATOM 1112 CA GLY A 80 16.439 9.955 -6.468 1.00 0.00 C ATOM 1113 C GLY A 80 15.673 10.808 -5.476 1.00 0.00 C ATOM 1114 O GLY A 80 14.661 10.387 -4.914 1.00 0.00 O ATOM 0 H GLY A 80 16.562 8.505 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.383 10.443 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.871 9.884 -7.396 1.00 0.00 H new ATOM 1118 N PRO A 81 16.160 12.036 -5.246 1.00 0.00 N ATOM 1119 CA PRO A 81 15.530 12.976 -4.313 1.00 0.00 C ATOM 1120 C PRO A 81 14.193 13.495 -4.828 1.00 0.00 C ATOM 1121 O PRO A 81 13.869 13.344 -6.006 1.00 0.00 O ATOM 1122 CB PRO A 81 16.547 14.116 -4.218 1.00 0.00 C ATOM 1123 CG PRO A 81 17.303 14.057 -5.500 1.00 0.00 C ATOM 1124 CD PRO A 81 17.362 12.603 -5.880 1.00 0.00 C ATOM 0 HA PRO A 81 15.302 12.509 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.052 15.079 -4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.209 13.986 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.806 14.643 -6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.305 14.470 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 81 17.347 12.469 -6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.272 12.128 -5.513 1.00 0.00 H new ATOM 1132 N SER A 82 13.419 14.108 -3.938 1.00 0.00 N ATOM 1133 CA SER A 82 12.114 14.647 -4.303 1.00 0.00 C ATOM 1134 C SER A 82 12.260 15.989 -5.014 1.00 0.00 C ATOM 1135 O SER A 82 12.909 16.905 -4.509 1.00 0.00 O ATOM 1136 CB SER A 82 11.240 14.810 -3.058 1.00 0.00 C ATOM 1137 OG SER A 82 11.806 15.745 -2.155 1.00 0.00 O ATOM 0 H SER A 82 13.673 14.244 -2.959 1.00 0.00 H new ATOM 0 HA SER A 82 11.636 13.944 -4.985 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.243 15.140 -3.351 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.124 13.846 -2.563 1.00 0.00 H new ATOM 0 HG SER A 82 12.362 16.382 -2.650 1.00 0.00 H new ATOM 1143 N SER A 83 11.651 16.097 -6.191 1.00 0.00 N ATOM 1144 CA SER A 83 11.716 17.325 -6.975 1.00 0.00 C ATOM 1145 C SER A 83 10.698 18.344 -6.474 1.00 0.00 C ATOM 1146 O SER A 83 11.042 19.488 -6.178 1.00 0.00 O ATOM 1147 CB SER A 83 11.467 17.024 -8.454 1.00 0.00 C ATOM 1148 OG SER A 83 12.545 16.294 -9.015 1.00 0.00 O ATOM 0 H SER A 83 11.107 15.349 -6.622 1.00 0.00 H new ATOM 0 HA SER A 83 12.714 17.748 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.543 16.455 -8.562 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.332 17.957 -9.001 1.00 0.00 H new ATOM 0 HG SER A 83 12.361 16.113 -9.960 1.00 0.00 H new ATOM 1154 N GLY A 84 9.441 17.920 -6.380 1.00 0.00 N ATOM 1155 CA GLY A 84 8.392 18.807 -5.914 1.00 0.00 C ATOM 1156 C GLY A 84 8.621 19.280 -4.493 1.00 0.00 C ATOM 1157 O GLY A 84 9.749 19.637 -4.155 1.00 0.00 O ATOM 0 H GLY A 84 9.131 16.978 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.331 19.671 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.433 18.292 -5.972 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.396 -3.257 -4.570 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.516 3.676 -0.116 1.00 0.00 ZN