USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0311 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 150:sc= -0.21 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc=-0.00511 (180deg=-0.133) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.713 F(o=-1.7,f=-0.71) USER MOD Single : A 25 THR OG1 : rot -66:sc= 1.04 USER MOD Single : A 26 ASN : amide:sc= -1.08! X(o=-1.1!,f=-0.97) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.124) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -64:sc= 1.11 USER MOD Single : A 41 THR OG1 : rot 155:sc= -0.743 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -179:sc= 0 (180deg=-0.00263) USER MOD Single : A 52 LYS NZ :NH3+ 156:sc= -0.0694 (180deg=-0.387) USER MOD Single : A 55 ASN : amide:sc= -2.24! C(o=-2.2!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.510 6.686 -1.822 1.00 0.00 N ATOM 2 CA GLY A 1 -11.735 7.329 -0.777 1.00 0.00 C ATOM 3 C GLY A 1 -12.555 7.604 0.468 1.00 0.00 C ATOM 4 O GLY A 1 -12.310 7.018 1.522 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.904 6.520 -2.651 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.877 5.777 -1.473 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.305 7.299 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.886 6.696 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.329 8.267 -1.155 1.00 0.00 H new ATOM 8 N SER A 2 -13.531 8.499 0.347 1.00 0.00 N ATOM 9 CA SER A 2 -14.386 8.854 1.473 1.00 0.00 C ATOM 10 C SER A 2 -15.228 7.660 1.914 1.00 0.00 C ATOM 11 O SER A 2 -15.367 7.391 3.107 1.00 0.00 O ATOM 12 CB SER A 2 -15.297 10.024 1.099 1.00 0.00 C ATOM 13 OG SER A 2 -16.189 9.664 0.058 1.00 0.00 O ATOM 0 H SER A 2 -13.749 8.991 -0.520 1.00 0.00 H new ATOM 0 HA SER A 2 -13.746 9.152 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.864 10.342 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.692 10.874 0.785 1.00 0.00 H new ATOM 0 HG SER A 2 -16.761 10.429 -0.161 1.00 0.00 H new ATOM 19 N SER A 3 -15.787 6.947 0.941 1.00 0.00 N ATOM 20 CA SER A 3 -16.618 5.784 1.228 1.00 0.00 C ATOM 21 C SER A 3 -15.885 4.803 2.138 1.00 0.00 C ATOM 22 O SER A 3 -16.438 4.324 3.127 1.00 0.00 O ATOM 23 CB SER A 3 -17.022 5.086 -0.073 1.00 0.00 C ATOM 24 OG SER A 3 -17.977 4.068 0.169 1.00 0.00 O ATOM 0 H SER A 3 -15.679 7.154 -0.052 1.00 0.00 H new ATOM 0 HA SER A 3 -17.516 6.128 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.434 5.817 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.140 4.656 -0.548 1.00 0.00 H new ATOM 0 HG SER A 3 -18.219 3.639 -0.678 1.00 0.00 H new ATOM 30 N GLY A 4 -14.635 4.508 1.794 1.00 0.00 N ATOM 31 CA GLY A 4 -13.845 3.585 2.590 1.00 0.00 C ATOM 32 C GLY A 4 -12.396 4.013 2.705 1.00 0.00 C ATOM 33 O GLY A 4 -11.752 4.327 1.703 1.00 0.00 O ATOM 0 H GLY A 4 -14.155 4.891 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.278 3.507 3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.893 2.592 2.144 1.00 0.00 H new ATOM 37 N SER A 5 -11.880 4.028 3.930 1.00 0.00 N ATOM 38 CA SER A 5 -10.499 4.427 4.173 1.00 0.00 C ATOM 39 C SER A 5 -9.532 3.331 3.733 1.00 0.00 C ATOM 40 O SER A 5 -8.519 3.604 3.089 1.00 0.00 O ATOM 41 CB SER A 5 -10.290 4.742 5.655 1.00 0.00 C ATOM 42 OG SER A 5 -11.079 5.848 6.058 1.00 0.00 O ATOM 0 H SER A 5 -12.398 3.768 4.770 1.00 0.00 H new ATOM 0 HA SER A 5 -10.297 5.323 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.548 3.869 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.237 4.956 5.840 1.00 0.00 H new ATOM 0 HG SER A 5 -10.929 6.028 7.010 1.00 0.00 H new ATOM 48 N SER A 6 -9.853 2.091 4.085 1.00 0.00 N ATOM 49 CA SER A 6 -9.013 0.953 3.731 1.00 0.00 C ATOM 50 C SER A 6 -9.123 0.639 2.242 1.00 0.00 C ATOM 51 O SER A 6 -8.116 0.526 1.544 1.00 0.00 O ATOM 52 CB SER A 6 -9.407 -0.275 4.553 1.00 0.00 C ATOM 53 OG SER A 6 -8.389 -1.260 4.518 1.00 0.00 O ATOM 0 H SER A 6 -10.690 1.848 4.616 1.00 0.00 H new ATOM 0 HA SER A 6 -7.978 1.214 3.954 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.597 0.020 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.336 -0.693 4.165 1.00 0.00 H new ATOM 0 HG SER A 6 -8.664 -2.034 5.052 1.00 0.00 H new ATOM 59 N GLY A 7 -10.355 0.500 1.762 1.00 0.00 N ATOM 60 CA GLY A 7 -10.575 0.201 0.360 1.00 0.00 C ATOM 61 C GLY A 7 -10.933 -1.254 0.127 1.00 0.00 C ATOM 62 O GLY A 7 -10.083 -2.136 0.248 1.00 0.00 O ATOM 0 H GLY A 7 -11.204 0.589 2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.375 0.835 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.676 0.446 -0.206 1.00 0.00 H new ATOM 66 N TYR A 8 -12.194 -1.505 -0.207 1.00 0.00 N ATOM 67 CA TYR A 8 -12.663 -2.864 -0.453 1.00 0.00 C ATOM 68 C TYR A 8 -11.840 -3.534 -1.549 1.00 0.00 C ATOM 69 O TYR A 8 -11.063 -2.881 -2.247 1.00 0.00 O ATOM 70 CB TYR A 8 -14.141 -2.852 -0.846 1.00 0.00 C ATOM 71 CG TYR A 8 -14.372 -2.703 -2.333 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.484 -1.447 -2.916 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.476 -3.818 -3.155 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.695 -1.306 -4.274 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.686 -3.687 -4.514 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.795 -2.429 -5.069 1.00 0.00 C ATOM 77 OH TYR A 8 -15.005 -2.293 -6.422 1.00 0.00 O ATOM 0 H TYR A 8 -12.909 -0.786 -0.314 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.543 -3.435 0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.606 -3.777 -0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.640 -2.034 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.405 -0.566 -2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.391 -4.805 -2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.781 -0.322 -4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.764 -4.565 -5.138 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.595 -3.048 -6.894 1.00 0.00 H new ATOM 87 N THR A 9 -12.016 -4.844 -1.695 1.00 0.00 N ATOM 88 CA THR A 9 -11.290 -5.605 -2.704 1.00 0.00 C ATOM 89 C THR A 9 -12.044 -6.874 -3.083 1.00 0.00 C ATOM 90 O THR A 9 -12.814 -7.413 -2.287 1.00 0.00 O ATOM 91 CB THR A 9 -9.880 -5.986 -2.215 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.204 -4.825 -1.719 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.068 -6.611 -3.338 1.00 0.00 C ATOM 0 H THR A 9 -12.655 -5.400 -1.127 1.00 0.00 H new ATOM 0 HA THR A 9 -11.201 -4.963 -3.580 1.00 0.00 H new ATOM 0 HB THR A 9 -9.983 -6.717 -1.413 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.309 -5.075 -1.408 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.076 -6.872 -2.968 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.571 -7.510 -3.693 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.974 -5.900 -4.159 1.00 0.00 H new ATOM 101 N CYS A 10 -11.818 -7.349 -4.303 1.00 0.00 N ATOM 102 CA CYS A 10 -12.476 -8.556 -4.789 1.00 0.00 C ATOM 103 C CYS A 10 -12.265 -9.717 -3.821 1.00 0.00 C ATOM 104 O CYS A 10 -11.142 -10.181 -3.626 1.00 0.00 O ATOM 105 CB CYS A 10 -11.945 -8.930 -6.174 1.00 0.00 C ATOM 106 SG CYS A 10 -12.587 -10.510 -6.815 1.00 0.00 S ATOM 0 H CYS A 10 -11.183 -6.916 -4.974 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.545 -8.354 -4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.199 -8.135 -6.876 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.857 -8.982 -6.132 1.00 0.00 H new ATOM 111 N PHE A 11 -13.354 -10.182 -3.218 1.00 0.00 N ATOM 112 CA PHE A 11 -13.290 -11.288 -2.270 1.00 0.00 C ATOM 113 C PHE A 11 -13.105 -12.617 -2.997 1.00 0.00 C ATOM 114 O PHE A 11 -12.920 -13.660 -2.368 1.00 0.00 O ATOM 115 CB PHE A 11 -14.559 -11.332 -1.417 1.00 0.00 C ATOM 116 CG PHE A 11 -14.583 -12.468 -0.435 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.777 -12.443 0.692 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.411 -13.560 -0.638 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.796 -13.487 1.598 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.435 -14.607 0.265 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.627 -14.570 1.384 1.00 0.00 C ATOM 0 H PHE A 11 -14.292 -9.810 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.430 -11.127 -1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.655 -10.391 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.426 -11.411 -2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.127 -11.598 0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.045 -13.594 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.162 -13.456 2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.085 -15.453 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.644 -15.386 2.091 1.00 0.00 H new ATOM 131 N ARG A 12 -13.158 -12.572 -4.324 1.00 0.00 N ATOM 132 CA ARG A 12 -12.999 -13.771 -5.137 1.00 0.00 C ATOM 133 C ARG A 12 -11.528 -14.162 -5.248 1.00 0.00 C ATOM 134 O ARG A 12 -11.104 -15.185 -4.710 1.00 0.00 O ATOM 135 CB ARG A 12 -13.586 -13.549 -6.532 1.00 0.00 C ATOM 136 CG ARG A 12 -14.018 -14.833 -7.222 1.00 0.00 C ATOM 137 CD ARG A 12 -14.832 -14.545 -8.474 1.00 0.00 C ATOM 138 NE ARG A 12 -15.382 -15.764 -9.061 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.429 -16.412 -8.563 1.00 0.00 C ATOM 140 NH1 ARG A 12 -17.037 -15.959 -7.475 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.871 -17.515 -9.154 1.00 0.00 N ATOM 0 H ARG A 12 -13.310 -11.717 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.537 -14.584 -4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.444 -12.882 -6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.846 -13.044 -7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.138 -15.420 -7.486 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.609 -15.437 -6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.645 -13.862 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.203 -14.041 -9.208 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.938 -16.138 -9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.701 -15.111 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.841 -16.459 -7.095 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.407 -17.866 -9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.675 -18.012 -8.771 1.00 0.00 H new ATOM 155 N CYS A 13 -10.755 -13.340 -5.949 1.00 0.00 N ATOM 156 CA CYS A 13 -9.332 -13.598 -6.133 1.00 0.00 C ATOM 157 C CYS A 13 -8.501 -12.801 -5.131 1.00 0.00 C ATOM 158 O CYS A 13 -7.447 -13.252 -4.684 1.00 0.00 O ATOM 159 CB CYS A 13 -8.908 -13.245 -7.560 1.00 0.00 C ATOM 160 SG CYS A 13 -8.985 -11.465 -7.939 1.00 0.00 S ATOM 0 H CYS A 13 -11.090 -12.489 -6.399 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.156 -14.660 -5.962 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.889 -13.597 -7.722 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.546 -13.783 -8.261 1.00 0.00 H new ATOM 165 N GLY A 14 -8.984 -11.612 -4.784 1.00 0.00 N ATOM 166 CA GLY A 14 -8.274 -10.771 -3.838 1.00 0.00 C ATOM 167 C GLY A 14 -7.525 -9.640 -4.516 1.00 0.00 C ATOM 168 O GLY A 14 -6.434 -9.262 -4.087 1.00 0.00 O ATOM 0 H GLY A 14 -9.854 -11.216 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.983 -10.355 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.570 -11.381 -3.272 1.00 0.00 H new ATOM 172 N LYS A 15 -8.110 -9.099 -5.579 1.00 0.00 N ATOM 173 CA LYS A 15 -7.493 -8.005 -6.319 1.00 0.00 C ATOM 174 C LYS A 15 -8.423 -6.798 -6.383 1.00 0.00 C ATOM 175 O LYS A 15 -9.611 -6.914 -6.686 1.00 0.00 O ATOM 176 CB LYS A 15 -7.132 -8.459 -7.735 1.00 0.00 C ATOM 177 CG LYS A 15 -5.967 -9.433 -7.783 1.00 0.00 C ATOM 178 CD LYS A 15 -4.641 -8.709 -7.944 1.00 0.00 C ATOM 179 CE LYS A 15 -4.273 -8.538 -9.410 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.897 -7.994 -9.577 1.00 0.00 N ATOM 0 H LYS A 15 -9.012 -9.401 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.583 -7.713 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.005 -8.927 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.888 -7.584 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.950 -10.026 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.106 -10.128 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.699 -7.731 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.856 -9.267 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.347 -9.500 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.988 -7.869 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.684 -7.892 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.833 -7.065 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.211 -8.645 -9.143 1.00 0.00 H new ATOM 194 N PRO A 16 -7.873 -5.609 -6.093 1.00 0.00 N ATOM 195 CA PRO A 16 -8.635 -4.358 -6.113 1.00 0.00 C ATOM 196 C PRO A 16 -9.029 -3.941 -7.526 1.00 0.00 C ATOM 197 O PRO A 16 -8.789 -4.669 -8.488 1.00 0.00 O ATOM 198 CB PRO A 16 -7.665 -3.341 -5.506 1.00 0.00 C ATOM 199 CG PRO A 16 -6.311 -3.901 -5.777 1.00 0.00 C ATOM 200 CD PRO A 16 -6.463 -5.396 -5.724 1.00 0.00 C ATOM 0 HA PRO A 16 -9.576 -4.446 -5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.785 -2.358 -5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.837 -3.220 -4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.944 -3.580 -6.752 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.590 -3.555 -5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.786 -5.894 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.244 -5.787 -4.730 1.00 0.00 H new ATOM 208 N GLY A 17 -9.634 -2.763 -7.644 1.00 0.00 N ATOM 209 CA GLY A 17 -10.050 -2.269 -8.943 1.00 0.00 C ATOM 210 C GLY A 17 -11.382 -2.844 -9.382 1.00 0.00 C ATOM 211 O GLY A 17 -12.148 -2.187 -10.088 1.00 0.00 O ATOM 0 H GLY A 17 -9.843 -2.142 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.120 -1.182 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.289 -2.516 -9.683 1.00 0.00 H new ATOM 215 N HIS A 18 -11.660 -4.076 -8.966 1.00 0.00 N ATOM 216 CA HIS A 18 -12.909 -4.740 -9.322 1.00 0.00 C ATOM 217 C HIS A 18 -13.481 -5.496 -8.127 1.00 0.00 C ATOM 218 O HIS A 18 -12.787 -5.730 -7.137 1.00 0.00 O ATOM 219 CB HIS A 18 -12.685 -5.702 -10.489 1.00 0.00 C ATOM 220 CG HIS A 18 -11.920 -6.934 -10.111 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.546 -7.020 -10.189 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.345 -8.133 -9.651 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.159 -8.219 -9.793 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.232 -8.914 -9.461 1.00 0.00 N ATOM 0 H HIS A 18 -11.037 -4.634 -8.382 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.625 -3.976 -9.623 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.652 -5.996 -10.898 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.149 -5.180 -11.282 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.925 -6.274 -10.503 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.369 -8.422 -9.467 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.139 -8.571 -9.748 1.00 0.00 H new ATOM 232 N TYR A 19 -14.751 -5.873 -8.225 1.00 0.00 N ATOM 233 CA TYR A 19 -15.418 -6.600 -7.151 1.00 0.00 C ATOM 234 C TYR A 19 -15.631 -8.062 -7.532 1.00 0.00 C ATOM 235 O TYR A 19 -15.417 -8.453 -8.680 1.00 0.00 O ATOM 236 CB TYR A 19 -16.761 -5.946 -6.822 1.00 0.00 C ATOM 237 CG TYR A 19 -17.413 -5.273 -8.009 1.00 0.00 C ATOM 238 CD1 TYR A 19 -18.206 -5.994 -8.893 1.00 0.00 C ATOM 239 CD2 TYR A 19 -17.238 -3.914 -8.244 1.00 0.00 C ATOM 240 CE1 TYR A 19 -18.802 -5.383 -9.979 1.00 0.00 C ATOM 241 CE2 TYR A 19 -17.832 -3.295 -9.327 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.613 -4.033 -10.191 1.00 0.00 C ATOM 243 OH TYR A 19 -19.207 -3.420 -11.271 1.00 0.00 O ATOM 0 H TYR A 19 -15.339 -5.687 -9.037 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.778 -6.563 -6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.438 -6.704 -6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.613 -5.209 -6.033 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.359 -7.050 -8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -16.628 -3.333 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.413 -5.959 -10.658 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.685 -2.238 -9.496 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.975 -2.468 -11.275 1.00 0.00 H new ATOM 253 N ILE A 20 -16.054 -8.864 -6.561 1.00 0.00 N ATOM 254 CA ILE A 20 -16.299 -10.282 -6.794 1.00 0.00 C ATOM 255 C ILE A 20 -17.379 -10.487 -7.851 1.00 0.00 C ATOM 256 O ILE A 20 -17.548 -11.587 -8.376 1.00 0.00 O ATOM 257 CB ILE A 20 -16.719 -11.001 -5.499 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.003 -12.478 -5.779 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.941 -10.327 -4.892 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.688 -13.386 -4.610 1.00 0.00 C ATOM 0 H ILE A 20 -16.234 -8.556 -5.605 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.362 -10.710 -7.149 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.899 -10.937 -4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.054 -12.593 -6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.418 -12.795 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.226 -10.846 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.706 -9.288 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.767 -10.363 -5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -16.913 -14.418 -4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.631 -13.300 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.292 -13.095 -3.750 1.00 0.00 H new ATOM 272 N LYS A 21 -18.108 -9.420 -8.159 1.00 0.00 N ATOM 273 CA LYS A 21 -19.171 -9.480 -9.155 1.00 0.00 C ATOM 274 C LYS A 21 -18.624 -9.205 -10.552 1.00 0.00 C ATOM 275 O LYS A 21 -19.181 -9.663 -11.548 1.00 0.00 O ATOM 276 CB LYS A 21 -20.271 -8.471 -8.818 1.00 0.00 C ATOM 277 CG LYS A 21 -20.300 -8.069 -7.354 1.00 0.00 C ATOM 278 CD LYS A 21 -21.703 -7.694 -6.907 1.00 0.00 C ATOM 279 CE LYS A 21 -21.682 -6.910 -5.603 1.00 0.00 C ATOM 280 NZ LYS A 21 -21.180 -5.522 -5.799 1.00 0.00 N ATOM 0 H LYS A 21 -17.982 -8.502 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.592 -10.485 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.133 -7.579 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.238 -8.896 -9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.930 -8.892 -6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.628 -7.226 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.186 -7.100 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.299 -8.598 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.687 -6.877 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.051 -7.426 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.414 -4.947 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.148 -5.541 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.627 -5.107 -6.641 1.00 0.00 H new ATOM 294 N ASN A 22 -17.529 -8.454 -10.616 1.00 0.00 N ATOM 295 CA ASN A 22 -16.906 -8.118 -11.891 1.00 0.00 C ATOM 296 C ASN A 22 -15.541 -8.787 -12.023 1.00 0.00 C ATOM 297 O ASN A 22 -14.734 -8.414 -12.875 1.00 0.00 O ATOM 298 CB ASN A 22 -16.758 -6.602 -12.027 1.00 0.00 C ATOM 299 CG ASN A 22 -16.207 -6.193 -13.380 1.00 0.00 C ATOM 300 OD1 ASN A 22 -14.959 -5.741 -13.398 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.897 -6.283 -14.396 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.055 -8.067 -9.800 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.550 -8.486 -12.689 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.729 -6.130 -11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.098 -6.232 -11.242 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.852 -6.636 -14.334 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.514 -6.004 -15.299 1.00 0.00 H new ATOM 308 N CYS A 23 -15.289 -9.778 -11.174 1.00 0.00 N ATOM 309 CA CYS A 23 -14.023 -10.500 -11.194 1.00 0.00 C ATOM 310 C CYS A 23 -13.841 -11.242 -12.515 1.00 0.00 C ATOM 311 O CYS A 23 -14.752 -11.899 -13.018 1.00 0.00 O ATOM 312 CB CYS A 23 -13.957 -11.489 -10.028 1.00 0.00 C ATOM 313 SG CYS A 23 -12.348 -12.324 -9.851 1.00 0.00 S ATOM 0 H CYS A 23 -15.946 -10.099 -10.463 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.217 -9.773 -11.091 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.183 -10.959 -9.103 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.733 -12.243 -10.161 1.00 0.00 H new ATOM 318 N PRO A 24 -12.634 -11.135 -13.092 1.00 0.00 N ATOM 319 CA PRO A 24 -12.303 -11.789 -14.361 1.00 0.00 C ATOM 320 C PRO A 24 -12.213 -13.305 -14.226 1.00 0.00 C ATOM 321 O PRO A 24 -12.736 -14.046 -15.059 1.00 0.00 O ATOM 322 CB PRO A 24 -10.935 -11.201 -14.716 1.00 0.00 C ATOM 323 CG PRO A 24 -10.345 -10.798 -13.409 1.00 0.00 C ATOM 324 CD PRO A 24 -11.500 -10.368 -12.548 1.00 0.00 C ATOM 0 HA PRO A 24 -13.066 -11.617 -15.120 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.309 -11.934 -15.224 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.033 -10.347 -15.386 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.805 -11.628 -12.952 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.630 -9.985 -13.538 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.326 -10.599 -11.497 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.673 -9.294 -12.614 1.00 0.00 H new ATOM 332 N THR A 25 -11.545 -13.762 -13.171 1.00 0.00 N ATOM 333 CA THR A 25 -11.386 -15.190 -12.927 1.00 0.00 C ATOM 334 C THR A 25 -12.692 -15.938 -13.168 1.00 0.00 C ATOM 335 O THR A 25 -12.689 -17.087 -13.608 1.00 0.00 O ATOM 336 CB THR A 25 -10.908 -15.465 -11.489 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.902 -15.033 -10.552 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.595 -14.750 -11.209 1.00 0.00 C ATOM 0 H THR A 25 -11.105 -13.163 -12.472 1.00 0.00 H new ATOM 0 HA THR A 25 -10.631 -15.548 -13.627 1.00 0.00 H new ATOM 0 HB THR A 25 -10.749 -16.538 -11.381 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.993 -14.058 -10.598 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.277 -14.959 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.833 -15.102 -11.905 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.732 -13.676 -11.334 1.00 0.00 H new ATOM 346 N ASN A 26 -13.809 -15.278 -12.877 1.00 0.00 N ATOM 347 CA ASN A 26 -15.124 -15.882 -13.063 1.00 0.00 C ATOM 348 C ASN A 26 -15.127 -16.818 -14.267 1.00 0.00 C ATOM 349 O ASN A 26 -15.320 -18.025 -14.128 1.00 0.00 O ATOM 350 CB ASN A 26 -16.186 -14.795 -13.244 1.00 0.00 C ATOM 351 CG ASN A 26 -16.833 -14.395 -11.932 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.780 -15.035 -11.474 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.324 -13.332 -11.322 1.00 0.00 N ATOM 0 H ASN A 26 -13.830 -14.326 -12.512 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.359 -16.465 -12.172 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.730 -13.918 -13.703 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.954 -15.152 -13.931 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.718 -13.015 -10.436 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.539 -12.832 -11.739 1.00 0.00 H new ATOM 360 N GLY A 27 -14.912 -16.252 -15.451 1.00 0.00 N ATOM 361 CA GLY A 27 -14.894 -17.050 -16.663 1.00 0.00 C ATOM 362 C GLY A 27 -13.587 -17.796 -16.846 1.00 0.00 C ATOM 363 O GLY A 27 -13.046 -17.851 -17.950 1.00 0.00 O ATOM 0 H GLY A 27 -14.750 -15.255 -15.592 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.716 -17.765 -16.636 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.063 -16.402 -17.523 1.00 0.00 H new ATOM 367 N ASP A 28 -13.079 -18.370 -15.762 1.00 0.00 N ATOM 368 CA ASP A 28 -11.827 -19.117 -15.807 1.00 0.00 C ATOM 369 C ASP A 28 -11.769 -20.151 -14.688 1.00 0.00 C ATOM 370 O ASP A 28 -12.241 -19.907 -13.577 1.00 0.00 O ATOM 371 CB ASP A 28 -10.636 -18.163 -15.699 1.00 0.00 C ATOM 372 CG ASP A 28 -9.459 -18.786 -14.974 1.00 0.00 C ATOM 373 OD1 ASP A 28 -9.563 -19.000 -13.748 1.00 0.00 O ATOM 374 OD2 ASP A 28 -8.434 -19.060 -15.633 1.00 0.00 O ATOM 0 H ASP A 28 -13.515 -18.333 -14.840 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.779 -19.640 -16.762 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.324 -17.861 -16.699 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.945 -17.259 -15.174 1.00 0.00 H new ATOM 379 N LYS A 29 -11.189 -21.308 -14.987 1.00 0.00 N ATOM 380 CA LYS A 29 -11.069 -22.381 -14.007 1.00 0.00 C ATOM 381 C LYS A 29 -9.604 -22.700 -13.727 1.00 0.00 C ATOM 382 O LYS A 29 -9.281 -23.762 -13.196 1.00 0.00 O ATOM 383 CB LYS A 29 -11.789 -23.636 -14.504 1.00 0.00 C ATOM 384 CG LYS A 29 -13.303 -23.542 -14.419 1.00 0.00 C ATOM 385 CD LYS A 29 -13.953 -24.913 -14.509 1.00 0.00 C ATOM 386 CE LYS A 29 -15.275 -24.953 -13.758 1.00 0.00 C ATOM 387 NZ LYS A 29 -16.129 -26.090 -14.200 1.00 0.00 N ATOM 0 H LYS A 29 -10.794 -21.527 -15.902 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.534 -22.046 -13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.502 -23.823 -15.539 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.453 -24.493 -13.920 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.587 -23.065 -13.481 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.675 -22.908 -15.224 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.120 -25.170 -15.555 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.278 -25.665 -14.100 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.083 -25.037 -12.688 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.809 -24.016 -13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.021 -26.083 -13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.334 -25.996 -15.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.630 -26.986 -14.029 1.00 0.00 H new ATOM 401 N ASN A 30 -8.721 -21.773 -14.085 1.00 0.00 N ATOM 402 CA ASN A 30 -7.290 -21.956 -13.871 1.00 0.00 C ATOM 403 C ASN A 30 -6.788 -21.051 -12.750 1.00 0.00 C ATOM 404 O ASN A 30 -5.618 -21.105 -12.372 1.00 0.00 O ATOM 405 CB ASN A 30 -6.519 -21.667 -15.160 1.00 0.00 C ATOM 406 CG ASN A 30 -7.021 -22.490 -16.331 1.00 0.00 C ATOM 407 OD1 ASN A 30 -7.532 -21.948 -17.311 1.00 0.00 O ATOM 408 ND2 ASN A 30 -6.876 -23.806 -16.233 1.00 0.00 N ATOM 0 H ASN A 30 -8.972 -20.887 -14.525 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.121 -22.993 -13.580 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.604 -20.607 -15.401 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.461 -21.874 -15.001 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.194 -24.412 -16.989 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.446 -24.211 -15.401 1.00 0.00 H new ATOM 415 N PHE A 31 -7.681 -20.219 -12.223 1.00 0.00 N ATOM 416 CA PHE A 31 -7.329 -19.302 -11.146 1.00 0.00 C ATOM 417 C PHE A 31 -7.361 -20.010 -9.795 1.00 0.00 C ATOM 418 O PHE A 31 -8.406 -20.493 -9.361 1.00 0.00 O ATOM 419 CB PHE A 31 -8.286 -18.108 -11.131 1.00 0.00 C ATOM 420 CG PHE A 31 -9.543 -18.357 -10.349 1.00 0.00 C ATOM 421 CD1 PHE A 31 -10.438 -19.338 -10.746 1.00 0.00 C ATOM 422 CD2 PHE A 31 -9.830 -17.612 -9.217 1.00 0.00 C ATOM 423 CE1 PHE A 31 -11.597 -19.569 -10.028 1.00 0.00 C ATOM 424 CE2 PHE A 31 -10.987 -17.839 -8.495 1.00 0.00 C ATOM 425 CZ PHE A 31 -11.871 -18.819 -8.901 1.00 0.00 C ATOM 0 H PHE A 31 -8.654 -20.161 -12.525 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.315 -18.945 -11.325 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.771 -17.245 -10.710 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.551 -17.852 -12.157 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.228 -19.928 -11.626 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.142 -16.845 -8.895 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.287 -20.335 -10.348 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.199 -17.251 -7.615 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.775 -18.999 -8.338 1.00 0.00 H new ATOM 435 N GLU A 32 -6.207 -20.069 -9.137 1.00 0.00 N ATOM 436 CA GLU A 32 -6.103 -20.720 -7.837 1.00 0.00 C ATOM 437 C GLU A 32 -5.036 -20.050 -6.976 1.00 0.00 C ATOM 438 O GLU A 32 -4.146 -19.371 -7.489 1.00 0.00 O ATOM 439 CB GLU A 32 -5.776 -22.205 -8.009 1.00 0.00 C ATOM 440 CG GLU A 32 -5.762 -22.982 -6.703 1.00 0.00 C ATOM 441 CD GLU A 32 -7.021 -22.770 -5.885 1.00 0.00 C ATOM 442 OE1 GLU A 32 -8.058 -22.402 -6.478 1.00 0.00 O ATOM 443 OE2 GLU A 32 -6.971 -22.971 -4.654 1.00 0.00 O ATOM 0 H GLU A 32 -5.332 -19.674 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.065 -20.623 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.508 -22.654 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.802 -22.300 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.647 -24.044 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.896 -22.680 -6.114 1.00 0.00 H new ATOM 450 N SER A 33 -5.133 -20.245 -5.665 1.00 0.00 N ATOM 451 CA SER A 33 -4.179 -19.656 -4.732 1.00 0.00 C ATOM 452 C SER A 33 -3.111 -20.670 -4.334 1.00 0.00 C ATOM 453 O SER A 33 -3.410 -21.696 -3.724 1.00 0.00 O ATOM 454 CB SER A 33 -4.903 -19.145 -3.485 1.00 0.00 C ATOM 455 OG SER A 33 -3.980 -18.737 -2.490 1.00 0.00 O ATOM 0 H SER A 33 -5.862 -20.806 -5.225 1.00 0.00 H new ATOM 0 HA SER A 33 -3.691 -18.818 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.548 -18.308 -3.753 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.547 -19.929 -3.088 1.00 0.00 H new ATOM 0 HG SER A 33 -4.468 -18.413 -1.704 1.00 0.00 H new ATOM 461 N GLY A 34 -1.863 -20.374 -4.686 1.00 0.00 N ATOM 462 CA GLY A 34 -0.769 -21.269 -4.358 1.00 0.00 C ATOM 463 C GLY A 34 0.064 -20.766 -3.196 1.00 0.00 C ATOM 464 O GLY A 34 -0.445 -20.139 -2.266 1.00 0.00 O ATOM 0 H GLY A 34 -1.591 -19.531 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.169 -22.253 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.130 -21.392 -5.232 1.00 0.00 H new ATOM 468 N PRO A 35 1.375 -21.042 -3.239 1.00 0.00 N ATOM 469 CA PRO A 35 2.308 -20.623 -2.188 1.00 0.00 C ATOM 470 C PRO A 35 2.527 -19.114 -2.176 1.00 0.00 C ATOM 471 O PRO A 35 2.835 -18.530 -1.136 1.00 0.00 O ATOM 472 CB PRO A 35 3.605 -21.349 -2.554 1.00 0.00 C ATOM 473 CG PRO A 35 3.510 -21.576 -4.023 1.00 0.00 C ATOM 474 CD PRO A 35 2.050 -21.785 -4.316 1.00 0.00 C ATOM 0 HA PRO A 35 1.935 -20.864 -1.192 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.479 -20.749 -2.302 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.698 -22.291 -2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.901 -20.722 -4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.096 -22.445 -4.322 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.779 -21.401 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.785 -22.842 -4.302 1.00 0.00 H new ATOM 482 N ARG A 36 2.365 -18.488 -3.337 1.00 0.00 N ATOM 483 CA ARG A 36 2.546 -17.046 -3.459 1.00 0.00 C ATOM 484 C ARG A 36 1.213 -16.318 -3.323 1.00 0.00 C ATOM 485 O ARG A 36 0.180 -16.801 -3.787 1.00 0.00 O ATOM 486 CB ARG A 36 3.192 -16.704 -4.803 1.00 0.00 C ATOM 487 CG ARG A 36 4.711 -16.675 -4.760 1.00 0.00 C ATOM 488 CD ARG A 36 5.286 -18.049 -4.454 1.00 0.00 C ATOM 489 NE ARG A 36 6.637 -18.208 -4.984 1.00 0.00 N ATOM 490 CZ ARG A 36 6.897 -18.590 -6.230 1.00 0.00 C ATOM 491 NH1 ARG A 36 5.903 -18.851 -7.068 1.00 0.00 N ATOM 492 NH2 ARG A 36 8.153 -18.712 -6.639 1.00 0.00 N ATOM 0 H ARG A 36 2.109 -18.956 -4.206 1.00 0.00 H new ATOM 0 HA ARG A 36 3.203 -16.718 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.872 -17.434 -5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.828 -15.731 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.096 -16.323 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.041 -15.964 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.299 -18.204 -3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.638 -18.816 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 36 7.424 -18.015 -4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.936 -18.759 -6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.105 -19.144 -8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.920 -18.513 -5.997 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.352 -19.005 -7.596 1.00 0.00 H new ATOM 506 N ILE A 37 1.243 -15.153 -2.683 1.00 0.00 N ATOM 507 CA ILE A 37 0.038 -14.358 -2.486 1.00 0.00 C ATOM 508 C ILE A 37 -0.015 -13.189 -3.464 1.00 0.00 C ATOM 509 O ILE A 37 -1.093 -12.719 -3.829 1.00 0.00 O ATOM 510 CB ILE A 37 -0.050 -13.815 -1.048 1.00 0.00 C ATOM 511 CG1 ILE A 37 -1.363 -13.055 -0.846 1.00 0.00 C ATOM 512 CG2 ILE A 37 1.140 -12.916 -0.748 1.00 0.00 C ATOM 513 CD1 ILE A 37 -1.663 -12.743 0.604 1.00 0.00 C ATOM 0 H ILE A 37 2.090 -14.739 -2.292 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.809 -15.019 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.029 -14.656 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.324 -12.123 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.182 -13.644 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.064 -12.540 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.063 -13.486 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.147 -12.077 -1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.608 -12.204 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.734 -13.672 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.863 -12.128 1.017 1.00 0.00 H new ATOM 525 N LYS A 38 1.156 -12.724 -3.886 1.00 0.00 N ATOM 526 CA LYS A 38 1.245 -11.611 -4.824 1.00 0.00 C ATOM 527 C LYS A 38 1.308 -12.116 -6.262 1.00 0.00 C ATOM 528 O LYS A 38 1.621 -13.281 -6.509 1.00 0.00 O ATOM 529 CB LYS A 38 2.477 -10.757 -4.518 1.00 0.00 C ATOM 530 CG LYS A 38 3.782 -11.531 -4.571 1.00 0.00 C ATOM 531 CD LYS A 38 4.417 -11.460 -5.950 1.00 0.00 C ATOM 532 CE LYS A 38 5.211 -10.176 -6.133 1.00 0.00 C ATOM 533 NZ LYS A 38 5.844 -10.102 -7.479 1.00 0.00 N ATOM 0 H LYS A 38 2.057 -13.101 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 38 0.350 -11.000 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.524 -9.933 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.366 -10.316 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.474 -11.131 -3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.599 -12.573 -4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.073 -12.318 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.641 -11.521 -6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.552 -9.319 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.982 -10.113 -5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.521 -9.313 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.343 -10.993 -7.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.110 -9.948 -8.200 1.00 0.00 H new ATOM 547 N LYS A 39 1.009 -11.232 -7.208 1.00 0.00 N ATOM 548 CA LYS A 39 1.034 -11.586 -8.622 1.00 0.00 C ATOM 549 C LYS A 39 2.122 -12.617 -8.906 1.00 0.00 C ATOM 550 O LYS A 39 1.831 -13.774 -9.206 1.00 0.00 O ATOM 551 CB LYS A 39 1.264 -10.338 -9.477 1.00 0.00 C ATOM 552 CG LYS A 39 0.663 -10.435 -10.869 1.00 0.00 C ATOM 553 CD LYS A 39 1.143 -9.305 -11.764 1.00 0.00 C ATOM 554 CE LYS A 39 0.310 -8.047 -11.569 1.00 0.00 C ATOM 555 NZ LYS A 39 0.973 -6.847 -12.150 1.00 0.00 N ATOM 0 H LYS A 39 0.746 -10.264 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 39 0.069 -12.022 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.838 -9.474 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.336 -10.160 -9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.930 -11.393 -11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.424 -10.408 -10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.189 -9.087 -11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.092 -9.619 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.667 -8.183 -12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.138 -7.887 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.374 -6.011 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.894 -6.702 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.115 -6.989 -13.171 1.00 0.00 H new ATOM 569 N SER A 40 3.377 -12.189 -8.807 1.00 0.00 N ATOM 570 CA SER A 40 4.508 -13.074 -9.056 1.00 0.00 C ATOM 571 C SER A 40 4.429 -13.677 -10.455 1.00 0.00 C ATOM 572 O SER A 40 4.854 -14.811 -10.681 1.00 0.00 O ATOM 573 CB SER A 40 4.550 -14.190 -8.009 1.00 0.00 C ATOM 574 OG SER A 40 3.715 -15.272 -8.384 1.00 0.00 O ATOM 0 H SER A 40 3.635 -11.235 -8.556 1.00 0.00 H new ATOM 0 HA SER A 40 5.422 -12.484 -8.985 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.575 -14.542 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.232 -13.799 -7.043 1.00 0.00 H new ATOM 0 HG SER A 40 2.783 -14.971 -8.414 1.00 0.00 H new ATOM 580 N THR A 41 3.883 -12.910 -11.393 1.00 0.00 N ATOM 581 CA THR A 41 3.746 -13.367 -12.770 1.00 0.00 C ATOM 582 C THR A 41 4.878 -12.834 -13.641 1.00 0.00 C ATOM 583 O THR A 41 5.397 -13.541 -14.504 1.00 0.00 O ATOM 584 CB THR A 41 2.399 -12.931 -13.376 1.00 0.00 C ATOM 585 OG1 THR A 41 2.306 -11.502 -13.386 1.00 0.00 O ATOM 586 CG2 THR A 41 1.237 -13.514 -12.587 1.00 0.00 C ATOM 0 H THR A 41 3.528 -11.969 -11.224 1.00 0.00 H new ATOM 0 HA THR A 41 3.790 -14.456 -12.747 1.00 0.00 H new ATOM 0 HB THR A 41 2.347 -13.305 -14.398 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.689 -11.219 -14.093 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.296 -13.192 -13.034 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.294 -14.602 -12.606 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.287 -13.166 -11.555 1.00 0.00 H new ATOM 594 N GLY A 42 5.258 -11.581 -13.409 1.00 0.00 N ATOM 595 CA GLY A 42 6.327 -10.975 -14.180 1.00 0.00 C ATOM 596 C GLY A 42 7.439 -11.955 -14.501 1.00 0.00 C ATOM 597 O GLY A 42 8.178 -12.377 -13.611 1.00 0.00 O ATOM 0 H GLY A 42 4.844 -10.975 -12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.920 -10.576 -15.109 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.739 -10.132 -13.624 1.00 0.00 H new ATOM 601 N ILE A 43 7.556 -12.319 -15.773 1.00 0.00 N ATOM 602 CA ILE A 43 8.584 -13.256 -16.207 1.00 0.00 C ATOM 603 C ILE A 43 9.979 -12.676 -16.000 1.00 0.00 C ATOM 604 O ILE A 43 10.184 -11.462 -16.024 1.00 0.00 O ATOM 605 CB ILE A 43 8.413 -13.632 -17.691 1.00 0.00 C ATOM 606 CG1 ILE A 43 8.325 -12.371 -18.553 1.00 0.00 C ATOM 607 CG2 ILE A 43 7.174 -14.496 -17.878 1.00 0.00 C ATOM 608 CD1 ILE A 43 8.443 -12.643 -20.036 1.00 0.00 C ATOM 0 H ILE A 43 6.952 -11.979 -16.521 1.00 0.00 H new ATOM 0 HA ILE A 43 8.471 -14.153 -15.598 1.00 0.00 H new ATOM 0 HB ILE A 43 9.284 -14.205 -18.008 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.375 -11.873 -18.358 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.114 -11.681 -18.255 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.066 -14.754 -18.932 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.274 -15.408 -17.290 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.293 -13.946 -17.547 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.372 -11.704 -20.585 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.404 -13.113 -20.244 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.638 -13.308 -20.349 1.00 0.00 H new ATOM 620 N PRO A 44 10.964 -13.563 -15.792 1.00 0.00 N ATOM 621 CA PRO A 44 12.358 -13.162 -15.579 1.00 0.00 C ATOM 622 C PRO A 44 12.999 -12.599 -16.842 1.00 0.00 C ATOM 623 O PRO A 44 13.678 -13.315 -17.578 1.00 0.00 O ATOM 624 CB PRO A 44 13.043 -14.468 -15.168 1.00 0.00 C ATOM 625 CG PRO A 44 12.204 -15.542 -15.770 1.00 0.00 C ATOM 626 CD PRO A 44 10.792 -15.024 -15.750 1.00 0.00 C ATOM 0 HA PRO A 44 12.445 -12.367 -14.838 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.067 -14.511 -15.538 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.092 -14.565 -14.083 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.524 -15.763 -16.788 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.288 -16.468 -15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.219 -15.386 -16.604 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.261 -15.340 -14.852 1.00 0.00 H new ATOM 634 N ARG A 45 12.779 -11.311 -17.088 1.00 0.00 N ATOM 635 CA ARG A 45 13.336 -10.652 -18.263 1.00 0.00 C ATOM 636 C ARG A 45 13.607 -9.177 -17.982 1.00 0.00 C ATOM 637 O ARG A 45 12.723 -8.447 -17.534 1.00 0.00 O ATOM 638 CB ARG A 45 12.381 -10.788 -19.451 1.00 0.00 C ATOM 639 CG ARG A 45 12.068 -12.229 -19.819 1.00 0.00 C ATOM 640 CD ARG A 45 11.644 -12.353 -21.274 1.00 0.00 C ATOM 641 NE ARG A 45 12.722 -11.997 -22.191 1.00 0.00 N ATOM 642 CZ ARG A 45 12.662 -12.184 -23.505 1.00 0.00 C ATOM 643 NH1 ARG A 45 11.581 -12.722 -24.052 1.00 0.00 N ATOM 644 NH2 ARG A 45 13.685 -11.834 -24.274 1.00 0.00 N ATOM 0 H ARG A 45 12.219 -10.704 -16.489 1.00 0.00 H new ATOM 0 HA ARG A 45 14.281 -11.138 -18.507 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.450 -10.271 -19.219 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.817 -10.288 -20.316 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.946 -12.850 -19.641 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.274 -12.606 -19.174 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.323 -13.376 -21.472 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.785 -11.708 -21.457 1.00 0.00 H new ATOM 0 HE ARG A 45 13.568 -11.582 -21.802 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.793 -12.993 -23.464 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.537 -12.865 -25.061 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.519 -11.421 -23.857 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.638 -11.978 -25.283 1.00 0.00 H new ATOM 658 N SER A 46 14.836 -8.746 -18.248 1.00 0.00 N ATOM 659 CA SER A 46 15.226 -7.359 -18.019 1.00 0.00 C ATOM 660 C SER A 46 15.353 -6.606 -19.340 1.00 0.00 C ATOM 661 O SER A 46 15.017 -5.425 -19.428 1.00 0.00 O ATOM 662 CB SER A 46 16.550 -7.299 -17.255 1.00 0.00 C ATOM 663 OG SER A 46 16.377 -7.683 -15.902 1.00 0.00 O ATOM 0 H SER A 46 15.579 -9.337 -18.622 1.00 0.00 H new ATOM 0 HA SER A 46 14.449 -6.882 -17.422 1.00 0.00 H new ATOM 0 HB2 SER A 46 17.278 -7.955 -17.732 1.00 0.00 H new ATOM 0 HB3 SER A 46 16.954 -6.288 -17.300 1.00 0.00 H new ATOM 0 HG SER A 46 17.238 -7.638 -15.436 1.00 0.00 H new ATOM 669 N PHE A 47 15.840 -7.298 -20.364 1.00 0.00 N ATOM 670 CA PHE A 47 16.013 -6.695 -21.680 1.00 0.00 C ATOM 671 C PHE A 47 14.698 -6.113 -22.189 1.00 0.00 C ATOM 672 O PHE A 47 13.774 -6.848 -22.535 1.00 0.00 O ATOM 673 CB PHE A 47 16.543 -7.732 -22.674 1.00 0.00 C ATOM 674 CG PHE A 47 17.138 -7.126 -23.913 1.00 0.00 C ATOM 675 CD1 PHE A 47 18.437 -6.644 -23.908 1.00 0.00 C ATOM 676 CD2 PHE A 47 16.398 -7.039 -25.081 1.00 0.00 C ATOM 677 CE1 PHE A 47 18.986 -6.085 -25.047 1.00 0.00 C ATOM 678 CE2 PHE A 47 16.943 -6.482 -26.223 1.00 0.00 C ATOM 679 CZ PHE A 47 18.239 -6.005 -26.206 1.00 0.00 C ATOM 0 H PHE A 47 16.122 -8.277 -20.308 1.00 0.00 H new ATOM 0 HA PHE A 47 16.737 -5.885 -21.588 1.00 0.00 H new ATOM 0 HB2 PHE A 47 17.298 -8.344 -22.180 1.00 0.00 H new ATOM 0 HB3 PHE A 47 15.729 -8.398 -22.960 1.00 0.00 H new ATOM 0 HD1 PHE A 47 19.027 -6.706 -23.005 1.00 0.00 H new ATOM 0 HD2 PHE A 47 15.384 -7.410 -25.100 1.00 0.00 H new ATOM 0 HE1 PHE A 47 19.999 -5.711 -25.031 1.00 0.00 H new ATOM 0 HE2 PHE A 47 16.356 -6.420 -27.127 1.00 0.00 H new ATOM 0 HZ PHE A 47 18.667 -5.570 -27.097 1.00 0.00 H new ATOM 689 N MET A 48 14.622 -4.786 -22.230 1.00 0.00 N ATOM 690 CA MET A 48 13.420 -4.104 -22.696 1.00 0.00 C ATOM 691 C MET A 48 13.766 -2.751 -23.309 1.00 0.00 C ATOM 692 O MET A 48 14.503 -1.962 -22.719 1.00 0.00 O ATOM 693 CB MET A 48 12.434 -3.917 -21.542 1.00 0.00 C ATOM 694 CG MET A 48 11.032 -3.542 -21.995 1.00 0.00 C ATOM 695 SD MET A 48 10.857 -1.779 -22.328 1.00 0.00 S ATOM 696 CE MET A 48 9.083 -1.647 -22.535 1.00 0.00 C ATOM 0 H MET A 48 15.378 -4.163 -21.946 1.00 0.00 H new ATOM 0 HA MET A 48 12.956 -4.723 -23.464 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.385 -4.839 -20.963 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.811 -3.142 -20.875 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.783 -4.104 -22.895 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.316 -3.835 -21.227 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.818 -0.611 -22.747 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.765 -2.280 -23.363 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.585 -1.969 -21.620 1.00 0.00 H new ATOM 706 N MET A 49 13.230 -2.491 -24.497 1.00 0.00 N ATOM 707 CA MET A 49 13.483 -1.232 -25.189 1.00 0.00 C ATOM 708 C MET A 49 12.273 -0.816 -26.020 1.00 0.00 C ATOM 709 O MET A 49 11.806 -1.571 -26.873 1.00 0.00 O ATOM 710 CB MET A 49 14.714 -1.358 -26.088 1.00 0.00 C ATOM 711 CG MET A 49 14.562 -2.398 -27.186 1.00 0.00 C ATOM 712 SD MET A 49 16.085 -2.656 -28.115 1.00 0.00 S ATOM 713 CE MET A 49 16.098 -1.200 -29.157 1.00 0.00 C ATOM 0 H MET A 49 12.619 -3.134 -25.000 1.00 0.00 H new ATOM 0 HA MET A 49 13.668 -0.464 -24.438 1.00 0.00 H new ATOM 0 HB2 MET A 49 14.922 -0.389 -26.543 1.00 0.00 H new ATOM 0 HB3 MET A 49 15.577 -1.614 -25.474 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.246 -3.343 -26.744 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.773 -2.086 -27.870 1.00 0.00 H new ATOM 0 HE1 MET A 49 16.974 -1.224 -29.805 1.00 0.00 H new ATOM 0 HE2 MET A 49 15.195 -1.181 -29.768 1.00 0.00 H new ATOM 0 HE3 MET A 49 16.133 -0.307 -28.533 1.00 0.00 H new ATOM 723 N GLU A 50 11.770 0.387 -25.764 1.00 0.00 N ATOM 724 CA GLU A 50 10.613 0.901 -26.489 1.00 0.00 C ATOM 725 C GLU A 50 11.019 2.031 -27.430 1.00 0.00 C ATOM 726 O GLU A 50 10.173 2.775 -27.927 1.00 0.00 O ATOM 727 CB GLU A 50 9.549 1.397 -25.508 1.00 0.00 C ATOM 728 CG GLU A 50 8.190 1.624 -26.149 1.00 0.00 C ATOM 729 CD GLU A 50 7.094 1.853 -25.126 1.00 0.00 C ATOM 730 OE1 GLU A 50 7.420 2.214 -23.976 1.00 0.00 O ATOM 731 OE2 GLU A 50 5.909 1.671 -25.477 1.00 0.00 O ATOM 0 H GLU A 50 12.145 1.024 -25.061 1.00 0.00 H new ATOM 0 HA GLU A 50 10.198 0.088 -27.084 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.444 0.672 -24.701 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.889 2.329 -25.057 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.246 2.485 -26.815 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.934 0.761 -26.764 1.00 0.00 H new ATOM 738 N VAL A 51 12.321 2.154 -27.671 1.00 0.00 N ATOM 739 CA VAL A 51 12.840 3.193 -28.553 1.00 0.00 C ATOM 740 C VAL A 51 13.700 2.593 -29.661 1.00 0.00 C ATOM 741 O VAL A 51 14.380 1.587 -29.459 1.00 0.00 O ATOM 742 CB VAL A 51 13.675 4.226 -27.773 1.00 0.00 C ATOM 743 CG1 VAL A 51 12.820 4.921 -26.725 1.00 0.00 C ATOM 744 CG2 VAL A 51 14.883 3.560 -27.131 1.00 0.00 C ATOM 0 H VAL A 51 13.035 1.547 -27.268 1.00 0.00 H new ATOM 0 HA VAL A 51 11.978 3.693 -28.995 1.00 0.00 H new ATOM 0 HB VAL A 51 14.034 4.980 -28.473 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.427 5.647 -26.184 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.991 5.433 -27.213 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.429 4.182 -26.026 1.00 0.00 H new ATOM 0 HG21 VAL A 51 15.461 4.305 -26.584 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.548 2.784 -26.443 1.00 0.00 H new ATOM 0 HG23 VAL A 51 15.507 3.113 -27.905 1.00 0.00 H new ATOM 754 N LYS A 52 13.666 3.219 -30.832 1.00 0.00 N ATOM 755 CA LYS A 52 14.443 2.750 -31.974 1.00 0.00 C ATOM 756 C LYS A 52 15.136 3.913 -32.675 1.00 0.00 C ATOM 757 O LYS A 52 14.482 4.834 -33.165 1.00 0.00 O ATOM 758 CB LYS A 52 13.539 2.010 -32.963 1.00 0.00 C ATOM 759 CG LYS A 52 14.303 1.209 -34.003 1.00 0.00 C ATOM 760 CD LYS A 52 14.889 2.107 -35.078 1.00 0.00 C ATOM 761 CE LYS A 52 15.017 1.377 -36.406 1.00 0.00 C ATOM 762 NZ LYS A 52 13.686 1.076 -37.004 1.00 0.00 N ATOM 0 H LYS A 52 13.108 4.053 -31.016 1.00 0.00 H new ATOM 0 HA LYS A 52 15.206 2.064 -31.605 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.882 1.339 -32.410 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.901 2.733 -33.470 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.104 0.651 -33.518 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.637 0.478 -34.462 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.256 2.986 -35.204 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.869 2.463 -34.761 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.598 1.985 -37.100 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.567 0.448 -36.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.785 0.965 -38.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.313 0.196 -36.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.030 1.857 -36.802 1.00 0.00 H new ATOM 776 N ASP A 53 16.463 3.864 -32.720 1.00 0.00 N ATOM 777 CA ASP A 53 17.245 4.913 -33.364 1.00 0.00 C ATOM 778 C ASP A 53 18.590 4.373 -33.841 1.00 0.00 C ATOM 779 O ASP A 53 19.110 3.386 -33.321 1.00 0.00 O ATOM 780 CB ASP A 53 17.464 6.081 -32.400 1.00 0.00 C ATOM 781 CG ASP A 53 16.264 7.005 -32.329 1.00 0.00 C ATOM 782 OD1 ASP A 53 15.908 7.595 -33.370 1.00 0.00 O ATOM 783 OD2 ASP A 53 15.682 7.140 -31.232 1.00 0.00 O ATOM 0 H ASP A 53 17.019 3.109 -32.318 1.00 0.00 H new ATOM 0 HA ASP A 53 16.687 5.267 -34.231 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.679 5.692 -31.405 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.339 6.650 -32.715 1.00 0.00 H new ATOM 788 N PRO A 54 19.167 5.035 -34.855 1.00 0.00 N ATOM 789 CA PRO A 54 20.458 4.638 -35.425 1.00 0.00 C ATOM 790 C PRO A 54 21.618 4.895 -34.468 1.00 0.00 C ATOM 791 O PRO A 54 22.717 4.376 -34.657 1.00 0.00 O ATOM 792 CB PRO A 54 20.584 5.524 -36.667 1.00 0.00 C ATOM 793 CG PRO A 54 19.744 6.717 -36.369 1.00 0.00 C ATOM 794 CD PRO A 54 18.605 6.220 -35.523 1.00 0.00 C ATOM 0 HA PRO A 54 20.498 3.570 -35.640 1.00 0.00 H new ATOM 0 HB2 PRO A 54 21.621 5.806 -36.849 1.00 0.00 H new ATOM 0 HB3 PRO A 54 20.233 5.006 -37.560 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.319 7.477 -35.841 1.00 0.00 H new ATOM 0 HG3 PRO A 54 19.377 7.175 -37.287 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.282 6.972 -34.803 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.736 5.965 -36.129 1.00 0.00 H new ATOM 802 N ASN A 55 21.364 5.699 -33.441 1.00 0.00 N ATOM 803 CA ASN A 55 22.388 6.024 -32.454 1.00 0.00 C ATOM 804 C ASN A 55 21.919 5.670 -31.046 1.00 0.00 C ATOM 805 O ASN A 55 20.713 5.642 -30.802 1.00 0.00 O ATOM 806 CB ASN A 55 22.741 7.511 -32.527 1.00 0.00 C ATOM 807 CG ASN A 55 23.693 7.934 -31.424 1.00 0.00 C ATOM 808 OD1 ASN A 55 23.721 7.334 -30.350 1.00 0.00 O ATOM 809 ND2 ASN A 55 24.477 8.973 -31.686 1.00 0.00 N ATOM 0 H ASN A 55 20.459 6.137 -33.270 1.00 0.00 H new ATOM 0 HA ASN A 55 23.276 5.434 -32.681 1.00 0.00 H new ATOM 0 HB2 ASN A 55 23.192 7.727 -33.495 1.00 0.00 H new ATOM 0 HB3 ASN A 55 21.828 8.102 -32.461 1.00 0.00 H new ATOM 0 HD21 ASN A 55 25.137 9.304 -30.982 1.00 0.00 H new ATOM 0 HD22 ASN A 55 24.419 9.440 -32.591 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.088 -10.847 -8.650 1.00 0.00 ZN