USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 524 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 35 HIS HE2 : A 35 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD Set 1.1: A 22 HIS : no HD1:sc= -0.445 X(o=-0.45,f=0.022) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= -0.0497 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.418 X(o=-0.42,f=0.047) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 13 CYS SG : rot 25:sc= 0.165 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0343) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 150:sc= 0.0767 USER MOD Single : A 43 THR OG1 : rot -170:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -43:sc= 0.972 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.990 -4.096 29.562 1.00 0.00 N ATOM 2 CA GLY A 1 5.216 -5.276 29.901 1.00 0.00 C ATOM 3 C GLY A 1 3.722 -5.033 29.818 1.00 0.00 C ATOM 4 O GLY A 1 3.013 -5.138 30.818 1.00 0.00 O ATOM 0 H1 GLY A 1 7.004 -4.314 29.634 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.767 -3.802 28.590 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.754 -3.325 30.219 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.487 -6.090 29.228 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.473 -5.598 30.910 1.00 0.00 H new ATOM 8 N SER A 2 3.243 -4.706 28.622 1.00 0.00 N ATOM 9 CA SER A 2 1.824 -4.441 28.413 1.00 0.00 C ATOM 10 C SER A 2 1.129 -5.656 27.804 1.00 0.00 C ATOM 11 O SER A 2 1.771 -6.512 27.197 1.00 0.00 O ATOM 12 CB SER A 2 1.639 -3.225 27.504 1.00 0.00 C ATOM 13 OG SER A 2 0.318 -2.718 27.593 1.00 0.00 O ATOM 0 H SER A 2 3.816 -4.618 27.783 1.00 0.00 H new ATOM 0 HA SER A 2 1.372 -4.233 29.383 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.350 -2.447 27.783 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.857 -3.502 26.472 1.00 0.00 H new ATOM 0 HG SER A 2 0.226 -1.940 27.004 1.00 0.00 H new ATOM 19 N SER A 3 -0.187 -5.722 27.973 1.00 0.00 N ATOM 20 CA SER A 3 -0.971 -6.833 27.444 1.00 0.00 C ATOM 21 C SER A 3 -1.901 -6.360 26.331 1.00 0.00 C ATOM 22 O SER A 3 -2.443 -5.257 26.386 1.00 0.00 O ATOM 23 CB SER A 3 -1.785 -7.487 28.561 1.00 0.00 C ATOM 24 OG SER A 3 -2.945 -6.729 28.858 1.00 0.00 O ATOM 0 H SER A 3 -0.733 -5.020 28.472 1.00 0.00 H new ATOM 0 HA SER A 3 -0.281 -7.568 27.029 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.072 -8.495 28.263 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.170 -7.582 29.456 1.00 0.00 H new ATOM 0 HG SER A 3 -3.449 -7.169 29.574 1.00 0.00 H new ATOM 30 N GLY A 4 -2.080 -7.204 25.319 1.00 0.00 N ATOM 31 CA GLY A 4 -2.944 -6.856 24.207 1.00 0.00 C ATOM 32 C GLY A 4 -2.401 -7.341 22.877 1.00 0.00 C ATOM 33 O GLY A 4 -1.251 -7.072 22.533 1.00 0.00 O ATOM 0 H GLY A 4 -1.642 -8.122 25.250 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.932 -7.285 24.371 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.068 -5.774 24.172 1.00 0.00 H new ATOM 37 N SER A 5 -3.231 -8.059 22.127 1.00 0.00 N ATOM 38 CA SER A 5 -2.826 -8.588 20.830 1.00 0.00 C ATOM 39 C SER A 5 -4.020 -8.683 19.885 1.00 0.00 C ATOM 40 O SER A 5 -5.152 -8.904 20.318 1.00 0.00 O ATOM 41 CB SER A 5 -2.181 -9.965 20.996 1.00 0.00 C ATOM 42 OG SER A 5 -1.135 -9.927 21.952 1.00 0.00 O ATOM 0 H SER A 5 -4.188 -8.288 22.395 1.00 0.00 H new ATOM 0 HA SER A 5 -2.097 -7.903 20.398 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.935 -10.688 21.306 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.789 -10.304 20.037 1.00 0.00 H new ATOM 0 HG SER A 5 -0.740 -10.820 22.041 1.00 0.00 H new ATOM 48 N SER A 6 -3.759 -8.516 18.593 1.00 0.00 N ATOM 49 CA SER A 6 -4.812 -8.579 17.586 1.00 0.00 C ATOM 50 C SER A 6 -5.745 -9.757 17.849 1.00 0.00 C ATOM 51 O SER A 6 -6.944 -9.580 18.057 1.00 0.00 O ATOM 52 CB SER A 6 -4.203 -8.698 16.188 1.00 0.00 C ATOM 53 OG SER A 6 -3.365 -7.592 15.900 1.00 0.00 O ATOM 0 H SER A 6 -2.827 -8.336 18.218 1.00 0.00 H new ATOM 0 HA SER A 6 -5.392 -7.658 17.644 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.629 -9.622 16.116 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.999 -8.758 15.445 1.00 0.00 H new ATOM 0 HG SER A 6 -2.987 -7.693 15.002 1.00 0.00 H new ATOM 59 N GLY A 7 -5.184 -10.963 17.837 1.00 0.00 N ATOM 60 CA GLY A 7 -5.978 -12.154 18.075 1.00 0.00 C ATOM 61 C GLY A 7 -7.112 -12.302 17.080 1.00 0.00 C ATOM 62 O GLY A 7 -6.883 -12.587 15.904 1.00 0.00 O ATOM 0 H GLY A 7 -4.193 -11.136 17.667 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.335 -13.032 18.022 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.387 -12.119 19.085 1.00 0.00 H new ATOM 66 N HIS A 8 -8.340 -12.111 17.552 1.00 0.00 N ATOM 67 CA HIS A 8 -9.515 -12.226 16.696 1.00 0.00 C ATOM 68 C HIS A 8 -10.421 -11.009 16.849 1.00 0.00 C ATOM 69 O HIS A 8 -10.818 -10.655 17.959 1.00 0.00 O ATOM 70 CB HIS A 8 -10.292 -13.500 17.029 1.00 0.00 C ATOM 71 CG HIS A 8 -9.560 -14.758 16.676 1.00 0.00 C ATOM 72 ND1 HIS A 8 -9.804 -15.968 17.291 1.00 0.00 N ATOM 73 CD2 HIS A 8 -8.587 -14.990 15.764 1.00 0.00 C ATOM 74 CE1 HIS A 8 -9.011 -16.890 16.774 1.00 0.00 C ATOM 75 NE2 HIS A 8 -8.263 -16.322 15.845 1.00 0.00 N ATOM 0 H HIS A 8 -8.547 -11.876 18.523 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.176 -12.276 15.661 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -10.519 -13.509 18.095 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -11.245 -13.483 16.500 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.147 -14.263 15.097 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.980 -17.930 17.062 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.559 -16.796 15.279 1.00 0.00 H new ATOM 83 N GLU A 9 -10.744 -10.371 15.728 1.00 0.00 N ATOM 84 CA GLU A 9 -11.601 -9.192 15.740 1.00 0.00 C ATOM 85 C GLU A 9 -13.066 -9.587 15.908 1.00 0.00 C ATOM 86 O GLU A 9 -13.792 -8.991 16.703 1.00 0.00 O ATOM 87 CB GLU A 9 -11.422 -8.391 14.448 1.00 0.00 C ATOM 88 CG GLU A 9 -10.085 -7.676 14.356 1.00 0.00 C ATOM 89 CD GLU A 9 -8.913 -8.637 14.287 1.00 0.00 C ATOM 90 OE1 GLU A 9 -8.615 -9.128 13.179 1.00 0.00 O ATOM 91 OE2 GLU A 9 -8.296 -8.896 15.341 1.00 0.00 O ATOM 0 H GLU A 9 -10.425 -10.651 14.801 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.310 -8.571 16.587 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.524 -9.064 13.596 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.223 -7.656 14.372 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.079 -7.037 13.473 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.965 -7.024 15.222 1.00 0.00 H new ATOM 98 N GLU A 10 -13.492 -10.594 15.152 1.00 0.00 N ATOM 99 CA GLU A 10 -14.870 -11.067 15.217 1.00 0.00 C ATOM 100 C GLU A 10 -14.962 -12.533 14.805 1.00 0.00 C ATOM 101 O GLU A 10 -14.202 -13.001 13.955 1.00 0.00 O ATOM 102 CB GLU A 10 -15.767 -10.216 14.316 1.00 0.00 C ATOM 103 CG GLU A 10 -15.553 -10.466 12.832 1.00 0.00 C ATOM 104 CD GLU A 10 -14.134 -10.169 12.389 1.00 0.00 C ATOM 105 OE1 GLU A 10 -13.686 -9.017 12.565 1.00 0.00 O ATOM 106 OE2 GLU A 10 -13.472 -11.090 11.866 1.00 0.00 O ATOM 0 H GLU A 10 -12.904 -11.097 14.488 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.210 -10.975 16.248 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.810 -10.416 14.563 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.586 -9.162 14.528 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.791 -11.505 12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.245 -9.848 12.260 1.00 0.00 H new ATOM 113 N THR A 11 -15.897 -13.255 15.413 1.00 0.00 N ATOM 114 CA THR A 11 -16.089 -14.669 15.112 1.00 0.00 C ATOM 115 C THR A 11 -16.697 -14.858 13.727 1.00 0.00 C ATOM 116 O THR A 11 -16.185 -15.627 12.915 1.00 0.00 O ATOM 117 CB THR A 11 -16.995 -15.348 16.156 1.00 0.00 C ATOM 118 OG1 THR A 11 -18.278 -14.712 16.179 1.00 0.00 O ATOM 119 CG2 THR A 11 -16.367 -15.285 17.540 1.00 0.00 C ATOM 0 H THR A 11 -16.534 -12.884 16.118 1.00 0.00 H new ATOM 0 HA THR A 11 -15.104 -15.135 15.140 1.00 0.00 H new ATOM 0 HB THR A 11 -17.114 -16.395 15.876 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.849 -15.151 16.844 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.025 -15.771 18.261 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.404 -15.796 17.526 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.221 -14.243 17.826 1.00 0.00 H new ATOM 127 N GLU A 12 -17.792 -14.152 13.465 1.00 0.00 N ATOM 128 CA GLU A 12 -18.470 -14.244 12.177 1.00 0.00 C ATOM 129 C GLU A 12 -19.504 -13.132 12.026 1.00 0.00 C ATOM 130 O GLU A 12 -19.904 -12.504 13.007 1.00 0.00 O ATOM 131 CB GLU A 12 -19.147 -15.608 12.029 1.00 0.00 C ATOM 132 CG GLU A 12 -19.369 -16.023 10.584 1.00 0.00 C ATOM 133 CD GLU A 12 -19.627 -17.510 10.437 1.00 0.00 C ATOM 134 OE1 GLU A 12 -20.795 -17.927 10.582 1.00 0.00 O ATOM 135 OE2 GLU A 12 -18.660 -18.257 10.177 1.00 0.00 O ATOM 0 H GLU A 12 -18.229 -13.510 14.127 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.722 -14.130 11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.537 -16.363 12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -20.108 -15.585 12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.215 -15.469 10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.495 -15.750 9.993 1.00 0.00 H new ATOM 142 N CYS A 13 -19.931 -12.894 10.791 1.00 0.00 N ATOM 143 CA CYS A 13 -20.918 -11.857 10.510 1.00 0.00 C ATOM 144 C CYS A 13 -21.805 -12.255 9.334 1.00 0.00 C ATOM 145 O CYS A 13 -21.337 -12.770 8.318 1.00 0.00 O ATOM 146 CB CYS A 13 -20.221 -10.529 10.212 1.00 0.00 C ATOM 147 SG CYS A 13 -19.822 -9.559 11.685 1.00 0.00 S ATOM 0 H CYS A 13 -19.610 -13.405 9.969 1.00 0.00 H new ATOM 0 HA CYS A 13 -21.547 -11.739 11.392 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -19.302 -10.729 9.661 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -20.860 -9.934 9.560 1.00 0.00 H new ATOM 0 HG CYS A 13 -19.716 -10.351 12.710 1.00 0.00 H new ATOM 153 N PRO A 14 -23.116 -12.013 9.474 1.00 0.00 N ATOM 154 CA PRO A 14 -24.097 -12.339 8.434 1.00 0.00 C ATOM 155 C PRO A 14 -23.962 -11.442 7.208 1.00 0.00 C ATOM 156 O PRO A 14 -24.316 -11.835 6.096 1.00 0.00 O ATOM 157 CB PRO A 14 -25.441 -12.100 9.126 1.00 0.00 C ATOM 158 CG PRO A 14 -25.145 -11.108 10.197 1.00 0.00 C ATOM 159 CD PRO A 14 -23.744 -11.401 10.658 1.00 0.00 C ATOM 0 HA PRO A 14 -23.970 -13.354 8.058 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -26.184 -11.717 8.426 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -25.842 -13.024 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -25.226 -10.089 9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -25.854 -11.199 11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -23.224 -10.494 10.965 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -23.735 -12.078 11.512 1.00 0.00 H new ATOM 167 N LEU A 15 -23.448 -10.235 7.418 1.00 0.00 N ATOM 168 CA LEU A 15 -23.265 -9.281 6.329 1.00 0.00 C ATOM 169 C LEU A 15 -21.964 -9.552 5.581 1.00 0.00 C ATOM 170 O LEU A 15 -20.888 -9.583 6.178 1.00 0.00 O ATOM 171 CB LEU A 15 -23.267 -7.851 6.872 1.00 0.00 C ATOM 172 CG LEU A 15 -23.793 -6.774 5.924 1.00 0.00 C ATOM 173 CD1 LEU A 15 -22.894 -6.651 4.703 1.00 0.00 C ATOM 174 CD2 LEU A 15 -25.223 -7.083 5.506 1.00 0.00 C ATOM 0 H LEU A 15 -23.151 -9.894 8.332 1.00 0.00 H new ATOM 0 HA LEU A 15 -24.094 -9.399 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -23.867 -7.830 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -22.248 -7.590 7.156 1.00 0.00 H new ATOM 0 HG LEU A 15 -23.788 -5.820 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -23.285 -5.879 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -21.886 -6.382 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -22.866 -7.604 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -25.581 -6.305 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -25.253 -8.047 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -25.861 -7.118 6.389 1.00 0.00 H new ATOM 186 N ARG A 16 -22.071 -9.745 4.270 1.00 0.00 N ATOM 187 CA ARG A 16 -20.902 -10.012 3.440 1.00 0.00 C ATOM 188 C ARG A 16 -19.876 -8.890 3.569 1.00 0.00 C ATOM 189 O ARG A 16 -20.063 -7.797 3.034 1.00 0.00 O ATOM 190 CB ARG A 16 -21.317 -10.171 1.976 1.00 0.00 C ATOM 191 CG ARG A 16 -20.141 -10.275 1.018 1.00 0.00 C ATOM 192 CD ARG A 16 -20.527 -9.838 -0.387 1.00 0.00 C ATOM 193 NE ARG A 16 -21.023 -10.953 -1.189 1.00 0.00 N ATOM 194 CZ ARG A 16 -20.233 -11.780 -1.866 1.00 0.00 C ATOM 195 NH1 ARG A 16 -18.918 -11.618 -1.836 1.00 0.00 N ATOM 196 NH2 ARG A 16 -20.760 -12.772 -2.573 1.00 0.00 N ATOM 0 H ARG A 16 -22.954 -9.721 3.760 1.00 0.00 H new ATOM 0 HA ARG A 16 -20.446 -10.940 3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.935 -11.063 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.935 -9.321 1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -19.320 -9.657 1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.779 -11.303 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.293 -9.064 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -19.662 -9.394 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 16 -22.031 -11.105 -1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -18.510 -10.857 -1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.314 -12.254 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -21.772 -12.900 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -20.153 -13.406 -3.092 1.00 0.00 H new ATOM 210 N LEU A 17 -18.791 -9.169 4.284 1.00 0.00 N ATOM 211 CA LEU A 17 -17.734 -8.184 4.485 1.00 0.00 C ATOM 212 C LEU A 17 -16.403 -8.696 3.945 1.00 0.00 C ATOM 213 O LEU A 17 -16.131 -9.896 3.971 1.00 0.00 O ATOM 214 CB LEU A 17 -17.599 -7.848 5.971 1.00 0.00 C ATOM 215 CG LEU A 17 -18.765 -7.080 6.595 1.00 0.00 C ATOM 216 CD1 LEU A 17 -18.749 -7.223 8.109 1.00 0.00 C ATOM 217 CD2 LEU A 17 -18.713 -5.613 6.195 1.00 0.00 C ATOM 0 H LEU A 17 -18.621 -10.068 4.734 1.00 0.00 H new ATOM 0 HA LEU A 17 -18.004 -7.281 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -17.467 -8.779 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -16.690 -7.263 6.109 1.00 0.00 H new ATOM 0 HG LEU A 17 -19.696 -7.505 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -19.586 -6.670 8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -18.836 -8.276 8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -17.813 -6.825 8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -19.550 -5.082 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -17.776 -5.175 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -18.775 -5.529 5.110 1.00 0.00 H new ATOM 229 N ALA A 18 -15.575 -7.777 3.457 1.00 0.00 N ATOM 230 CA ALA A 18 -14.270 -8.135 2.915 1.00 0.00 C ATOM 231 C ALA A 18 -13.145 -7.584 3.784 1.00 0.00 C ATOM 232 O ALA A 18 -13.381 -6.790 4.694 1.00 0.00 O ATOM 233 CB ALA A 18 -14.135 -7.626 1.487 1.00 0.00 C ATOM 0 H ALA A 18 -15.785 -6.779 3.426 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.191 -9.222 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.156 -7.900 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.913 -8.072 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.240 -6.541 1.476 1.00 0.00 H new ATOM 239 N VAL A 19 -11.919 -8.012 3.498 1.00 0.00 N ATOM 240 CA VAL A 19 -10.756 -7.561 4.253 1.00 0.00 C ATOM 241 C VAL A 19 -9.668 -7.035 3.324 1.00 0.00 C ATOM 242 O VAL A 19 -9.381 -7.631 2.285 1.00 0.00 O ATOM 243 CB VAL A 19 -10.174 -8.696 5.117 1.00 0.00 C ATOM 244 CG1 VAL A 19 -8.968 -8.204 5.902 1.00 0.00 C ATOM 245 CG2 VAL A 19 -11.237 -9.253 6.051 1.00 0.00 C ATOM 0 H VAL A 19 -11.706 -8.671 2.749 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.094 -6.755 4.904 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.845 -9.499 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.570 -9.019 6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.200 -7.857 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.268 -7.383 6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.808 -10.054 6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.598 -8.460 6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.068 -9.645 5.464 1.00 0.00 H new ATOM 255 N CYS A 20 -9.064 -5.914 3.705 1.00 0.00 N ATOM 256 CA CYS A 20 -8.006 -5.306 2.907 1.00 0.00 C ATOM 257 C CYS A 20 -6.745 -6.163 2.932 1.00 0.00 C ATOM 258 O CYS A 20 -6.573 -7.006 3.812 1.00 0.00 O ATOM 259 CB CYS A 20 -7.692 -3.901 3.425 1.00 0.00 C ATOM 260 SG CYS A 20 -6.638 -2.917 2.312 1.00 0.00 S ATOM 0 H CYS A 20 -9.289 -5.408 4.562 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.356 -5.237 1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.629 -3.367 3.587 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.200 -3.984 4.394 1.00 0.00 H new ATOM 265 N GLN A 21 -5.866 -5.941 1.960 1.00 0.00 N ATOM 266 CA GLN A 21 -4.620 -6.694 1.871 1.00 0.00 C ATOM 267 C GLN A 21 -3.456 -5.890 2.441 1.00 0.00 C ATOM 268 O GLN A 21 -2.416 -6.448 2.792 1.00 0.00 O ATOM 269 CB GLN A 21 -4.331 -7.071 0.417 1.00 0.00 C ATOM 270 CG GLN A 21 -5.425 -7.910 -0.223 1.00 0.00 C ATOM 271 CD GLN A 21 -5.195 -8.137 -1.705 1.00 0.00 C ATOM 272 OE1 GLN A 21 -4.602 -9.138 -2.106 1.00 0.00 O ATOM 273 NE2 GLN A 21 -5.666 -7.206 -2.527 1.00 0.00 N ATOM 0 H GLN A 21 -5.993 -5.247 1.224 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.732 -7.604 2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.196 -6.160 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.391 -7.620 0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.482 -8.873 0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.387 -7.417 -0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.152 -6.392 -2.151 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.542 -7.305 -3.535 1.00 0.00 H new ATOM 282 N HIS A 22 -3.638 -4.576 2.530 1.00 0.00 N ATOM 283 CA HIS A 22 -2.602 -3.695 3.058 1.00 0.00 C ATOM 284 C HIS A 22 -2.825 -3.424 4.543 1.00 0.00 C ATOM 285 O HIS A 22 -1.963 -3.716 5.373 1.00 0.00 O ATOM 286 CB HIS A 22 -2.582 -2.376 2.284 1.00 0.00 C ATOM 287 CG HIS A 22 -2.709 -2.549 0.802 1.00 0.00 C ATOM 288 ND1 HIS A 22 -1.642 -2.863 -0.013 1.00 0.00 N ATOM 289 CD2 HIS A 22 -3.787 -2.452 -0.011 1.00 0.00 C ATOM 290 CE1 HIS A 22 -2.058 -2.950 -1.264 1.00 0.00 C ATOM 291 NE2 HIS A 22 -3.356 -2.705 -1.290 1.00 0.00 N ATOM 0 H HIS A 22 -4.492 -4.098 2.244 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.640 -4.193 2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.396 -1.744 2.639 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.652 -1.851 2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.798 -2.219 0.290 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.442 -3.182 -2.120 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -3.943 -2.704 -2.124 1.00 0.00 H new ATOM 299 N CYS A 23 -3.985 -2.865 4.870 1.00 0.00 N ATOM 300 CA CYS A 23 -4.321 -2.553 6.254 1.00 0.00 C ATOM 301 C CYS A 23 -4.880 -3.781 6.968 1.00 0.00 C ATOM 302 O CYS A 23 -4.764 -3.909 8.187 1.00 0.00 O ATOM 303 CB CYS A 23 -5.336 -1.411 6.309 1.00 0.00 C ATOM 304 SG CYS A 23 -7.049 -1.920 5.952 1.00 0.00 S ATOM 0 H CYS A 23 -4.709 -2.619 4.195 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.408 -2.243 6.763 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.302 -0.957 7.299 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.041 -0.642 5.595 1.00 0.00 H new ATOM 309 N ASP A 24 -5.485 -4.680 6.200 1.00 0.00 N ATOM 310 CA ASP A 24 -6.061 -5.898 6.757 1.00 0.00 C ATOM 311 C ASP A 24 -7.180 -5.569 7.740 1.00 0.00 C ATOM 312 O ASP A 24 -7.247 -6.135 8.833 1.00 0.00 O ATOM 313 CB ASP A 24 -4.981 -6.726 7.454 1.00 0.00 C ATOM 314 CG ASP A 24 -3.808 -7.032 6.542 1.00 0.00 C ATOM 315 OD1 ASP A 24 -4.045 -7.481 5.402 1.00 0.00 O ATOM 316 OD2 ASP A 24 -2.653 -6.822 6.970 1.00 0.00 O ATOM 0 H ASP A 24 -5.589 -4.588 5.190 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.481 -6.480 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.624 -6.187 8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.416 -7.661 7.808 1.00 0.00 H new ATOM 321 N LEU A 25 -8.056 -4.651 7.346 1.00 0.00 N ATOM 322 CA LEU A 25 -9.173 -4.246 8.193 1.00 0.00 C ATOM 323 C LEU A 25 -10.494 -4.767 7.639 1.00 0.00 C ATOM 324 O LEU A 25 -10.643 -4.946 6.430 1.00 0.00 O ATOM 325 CB LEU A 25 -9.221 -2.722 8.311 1.00 0.00 C ATOM 326 CG LEU A 25 -9.843 -2.167 9.594 1.00 0.00 C ATOM 327 CD1 LEU A 25 -8.842 -2.219 10.737 1.00 0.00 C ATOM 328 CD2 LEU A 25 -10.334 -0.743 9.376 1.00 0.00 C ATOM 0 H LEU A 25 -8.015 -4.173 6.446 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.022 -4.677 9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.204 -2.339 8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.779 -2.329 7.461 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.699 -2.788 9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.301 -1.820 11.641 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.539 -3.252 10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.967 -1.622 10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.773 -0.364 10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.496 -0.109 9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.085 -0.734 8.586 1.00 0.00 H new ATOM 340 N GLU A 26 -11.451 -5.007 8.530 1.00 0.00 N ATOM 341 CA GLU A 26 -12.761 -5.506 8.128 1.00 0.00 C ATOM 342 C GLU A 26 -13.638 -4.372 7.605 1.00 0.00 C ATOM 343 O GLU A 26 -13.903 -3.400 8.314 1.00 0.00 O ATOM 344 CB GLU A 26 -13.451 -6.198 9.305 1.00 0.00 C ATOM 345 CG GLU A 26 -14.500 -7.214 8.885 1.00 0.00 C ATOM 346 CD GLU A 26 -14.743 -8.273 9.942 1.00 0.00 C ATOM 347 OE1 GLU A 26 -15.493 -7.994 10.901 1.00 0.00 O ATOM 348 OE2 GLU A 26 -14.184 -9.382 9.810 1.00 0.00 O ATOM 0 H GLU A 26 -11.344 -4.864 9.534 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.615 -6.229 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.698 -6.697 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.921 -5.443 9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.436 -6.697 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.184 -7.696 7.960 1.00 0.00 H new ATOM 355 N LEU A 27 -14.086 -4.504 6.362 1.00 0.00 N ATOM 356 CA LEU A 27 -14.933 -3.491 5.742 1.00 0.00 C ATOM 357 C LEU A 27 -15.842 -4.113 4.687 1.00 0.00 C ATOM 358 O LEU A 27 -15.493 -5.117 4.066 1.00 0.00 O ATOM 359 CB LEU A 27 -14.073 -2.395 5.109 1.00 0.00 C ATOM 360 CG LEU A 27 -13.553 -1.317 6.061 1.00 0.00 C ATOM 361 CD1 LEU A 27 -12.197 -1.711 6.624 1.00 0.00 C ATOM 362 CD2 LEU A 27 -13.467 0.025 5.349 1.00 0.00 C ATOM 0 H LEU A 27 -13.877 -5.303 5.763 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.557 -3.050 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.218 -2.866 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.656 -1.910 4.326 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.254 -1.222 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.843 -0.932 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.289 -2.650 7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.486 -1.834 5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.095 0.781 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.787 -0.056 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.457 0.313 4.995 1.00 0.00 H new ATOM 374 N SER A 28 -17.009 -3.508 4.487 1.00 0.00 N ATOM 375 CA SER A 28 -17.969 -4.003 3.508 1.00 0.00 C ATOM 376 C SER A 28 -17.357 -4.026 2.111 1.00 0.00 C ATOM 377 O SER A 28 -16.463 -3.238 1.799 1.00 0.00 O ATOM 378 CB SER A 28 -19.227 -3.132 3.511 1.00 0.00 C ATOM 379 OG SER A 28 -20.302 -3.788 2.860 1.00 0.00 O ATOM 0 H SER A 28 -17.312 -2.674 4.990 1.00 0.00 H new ATOM 0 HA SER A 28 -18.240 -5.022 3.784 1.00 0.00 H new ATOM 0 HB2 SER A 28 -19.508 -2.897 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 28 -19.019 -2.185 3.013 1.00 0.00 H new ATOM 0 HG SER A 28 -21.095 -3.212 2.876 1.00 0.00 H new ATOM 385 N ILE A 29 -17.843 -4.936 1.274 1.00 0.00 N ATOM 386 CA ILE A 29 -17.346 -5.063 -0.090 1.00 0.00 C ATOM 387 C ILE A 29 -17.692 -3.830 -0.919 1.00 0.00 C ATOM 388 O ILE A 29 -16.948 -3.445 -1.821 1.00 0.00 O ATOM 389 CB ILE A 29 -17.918 -6.312 -0.785 1.00 0.00 C ATOM 390 CG1 ILE A 29 -17.466 -6.362 -2.246 1.00 0.00 C ATOM 391 CG2 ILE A 29 -19.437 -6.319 -0.694 1.00 0.00 C ATOM 392 CD1 ILE A 29 -16.017 -6.759 -2.417 1.00 0.00 C ATOM 0 H ILE A 29 -18.581 -5.597 1.517 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.262 -5.160 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.539 -7.199 -0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.094 -7.069 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -17.622 -5.383 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.827 -7.208 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.739 -6.326 0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -19.835 -5.428 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.766 -6.774 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.380 -6.039 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.859 -7.751 -1.993 1.00 0.00 H new ATOM 404 N LEU A 30 -18.826 -3.213 -0.605 1.00 0.00 N ATOM 405 CA LEU A 30 -19.272 -2.022 -1.319 1.00 0.00 C ATOM 406 C LEU A 30 -18.317 -0.856 -1.082 1.00 0.00 C ATOM 407 O LEU A 30 -18.019 -0.088 -1.997 1.00 0.00 O ATOM 408 CB LEU A 30 -20.685 -1.636 -0.876 1.00 0.00 C ATOM 409 CG LEU A 30 -21.831 -2.256 -1.675 1.00 0.00 C ATOM 410 CD1 LEU A 30 -21.668 -1.961 -3.158 1.00 0.00 C ATOM 411 CD2 LEU A 30 -21.901 -3.756 -1.432 1.00 0.00 C ATOM 0 H LEU A 30 -19.453 -3.518 0.139 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.282 -2.250 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.805 -1.916 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.777 -0.551 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 30 -22.767 -1.810 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.493 -2.410 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.669 -0.883 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -20.725 -2.379 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -22.723 -4.180 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.964 -4.219 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.067 -3.945 -0.371 1.00 0.00 H new ATOM 423 N LYS A 31 -17.838 -0.732 0.151 1.00 0.00 N ATOM 424 CA LYS A 31 -16.913 0.338 0.508 1.00 0.00 C ATOM 425 C LYS A 31 -15.478 -0.044 0.158 1.00 0.00 C ATOM 426 O LYS A 31 -14.705 0.784 -0.324 1.00 0.00 O ATOM 427 CB LYS A 31 -17.018 0.653 2.002 1.00 0.00 C ATOM 428 CG LYS A 31 -18.177 1.570 2.350 1.00 0.00 C ATOM 429 CD LYS A 31 -18.190 1.916 3.830 1.00 0.00 C ATOM 430 CE LYS A 31 -19.073 3.121 4.113 1.00 0.00 C ATOM 431 NZ LYS A 31 -18.419 4.396 3.705 1.00 0.00 N ATOM 0 H LYS A 31 -18.075 -1.359 0.920 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.184 1.225 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.125 -0.280 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.088 1.115 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.107 2.485 1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.117 1.089 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.547 1.060 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.174 2.122 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.018 3.011 3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.308 3.157 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.990 5.200 4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.469 4.449 4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.341 4.430 2.668 1.00 0.00 H new ATOM 445 N LEU A 32 -15.130 -1.303 0.402 1.00 0.00 N ATOM 446 CA LEU A 32 -13.788 -1.795 0.110 1.00 0.00 C ATOM 447 C LEU A 32 -13.208 -1.101 -1.118 1.00 0.00 C ATOM 448 O LEU A 32 -12.055 -0.669 -1.115 1.00 0.00 O ATOM 449 CB LEU A 32 -13.815 -3.308 -0.110 1.00 0.00 C ATOM 450 CG LEU A 32 -12.501 -3.944 -0.565 1.00 0.00 C ATOM 451 CD1 LEU A 32 -11.485 -3.940 0.567 1.00 0.00 C ATOM 452 CD2 LEU A 32 -12.739 -5.361 -1.066 1.00 0.00 C ATOM 0 H LEU A 32 -15.758 -2.001 0.801 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.151 -1.570 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.123 -3.785 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.581 -3.533 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.099 -3.352 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.557 -4.397 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.291 -2.914 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.878 -4.507 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.793 -5.798 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.164 -5.964 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.431 -5.338 -1.908 1.00 0.00 H new ATOM 464 N LYS A 33 -14.015 -0.995 -2.168 1.00 0.00 N ATOM 465 CA LYS A 33 -13.585 -0.351 -3.403 1.00 0.00 C ATOM 466 C LYS A 33 -12.985 1.022 -3.119 1.00 0.00 C ATOM 467 O LYS A 33 -11.800 1.253 -3.362 1.00 0.00 O ATOM 468 CB LYS A 33 -14.765 -0.213 -4.368 1.00 0.00 C ATOM 469 CG LYS A 33 -14.377 0.342 -5.728 1.00 0.00 C ATOM 470 CD LYS A 33 -15.516 0.219 -6.726 1.00 0.00 C ATOM 471 CE LYS A 33 -15.065 0.581 -8.133 1.00 0.00 C ATOM 472 NZ LYS A 33 -14.353 -0.547 -8.794 1.00 0.00 N ATOM 0 H LYS A 33 -14.972 -1.347 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.819 -0.976 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.230 -1.190 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.516 0.438 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.092 1.389 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.504 -0.191 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.901 -0.801 -6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.336 0.872 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.932 0.864 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.409 1.450 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.062 -0.261 -9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.512 -0.800 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.987 -1.369 -8.857 1.00 0.00 H new ATOM 486 N GLU A 34 -13.809 1.929 -2.604 1.00 0.00 N ATOM 487 CA GLU A 34 -13.357 3.279 -2.287 1.00 0.00 C ATOM 488 C GLU A 34 -12.265 3.251 -1.221 1.00 0.00 C ATOM 489 O GLU A 34 -11.305 4.020 -1.279 1.00 0.00 O ATOM 490 CB GLU A 34 -14.531 4.135 -1.808 1.00 0.00 C ATOM 491 CG GLU A 34 -15.589 4.368 -2.873 1.00 0.00 C ATOM 492 CD GLU A 34 -15.022 5.002 -4.129 1.00 0.00 C ATOM 493 OE1 GLU A 34 -14.271 4.315 -4.853 1.00 0.00 O ATOM 494 OE2 GLU A 34 -15.329 6.184 -4.388 1.00 0.00 O ATOM 0 H GLU A 34 -14.792 1.754 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.943 3.718 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.994 3.652 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.152 5.099 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.057 3.417 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.372 5.009 -2.468 1.00 0.00 H new ATOM 501 N HIS A 35 -12.419 2.359 -0.247 1.00 0.00 N ATOM 502 CA HIS A 35 -11.448 2.230 0.832 1.00 0.00 C ATOM 503 C HIS A 35 -10.058 1.931 0.279 1.00 0.00 C ATOM 504 O HIS A 35 -9.154 2.762 0.363 1.00 0.00 O ATOM 505 CB HIS A 35 -11.873 1.126 1.801 1.00 0.00 C ATOM 506 CG HIS A 35 -10.735 0.538 2.576 1.00 0.00 C ATOM 507 ND1 HIS A 35 -10.151 1.171 3.653 1.00 0.00 N ATOM 508 CD2 HIS A 35 -10.073 -0.633 2.427 1.00 0.00 C ATOM 509 CE1 HIS A 35 -9.179 0.416 4.132 1.00 0.00 C ATOM 510 NE2 HIS A 35 -9.111 -0.685 3.405 1.00 0.00 N ATOM 0 H HIS A 35 -13.208 1.715 -0.184 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.410 3.178 1.368 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.607 1.529 2.499 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.368 0.333 1.241 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -10.427 2.081 4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.266 -1.387 1.678 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.548 0.657 4.974 1.00 0.00 H new ATOM 518 N GLU A 36 -9.895 0.738 -0.284 1.00 0.00 N ATOM 519 CA GLU A 36 -8.614 0.329 -0.849 1.00 0.00 C ATOM 520 C GLU A 36 -7.950 1.488 -1.587 1.00 0.00 C ATOM 521 O GLU A 36 -6.772 1.779 -1.377 1.00 0.00 O ATOM 522 CB GLU A 36 -8.805 -0.853 -1.801 1.00 0.00 C ATOM 523 CG GLU A 36 -8.687 -2.207 -1.121 1.00 0.00 C ATOM 524 CD GLU A 36 -7.266 -2.739 -1.123 1.00 0.00 C ATOM 525 OE1 GLU A 36 -6.334 -1.941 -1.352 1.00 0.00 O ATOM 526 OE2 GLU A 36 -7.088 -3.954 -0.895 1.00 0.00 O ATOM 0 H GLU A 36 -10.633 0.038 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.965 0.024 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.786 -0.776 -2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.064 -0.790 -2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.039 -2.125 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.339 -2.921 -1.625 1.00 0.00 H new ATOM 533 N ASP A 37 -8.714 2.146 -2.452 1.00 0.00 N ATOM 534 CA ASP A 37 -8.201 3.273 -3.222 1.00 0.00 C ATOM 535 C ASP A 37 -7.364 4.196 -2.342 1.00 0.00 C ATOM 536 O ASP A 37 -6.178 4.406 -2.598 1.00 0.00 O ATOM 537 CB ASP A 37 -9.355 4.056 -3.850 1.00 0.00 C ATOM 538 CG ASP A 37 -10.056 3.276 -4.945 1.00 0.00 C ATOM 539 OD1 ASP A 37 -9.359 2.745 -5.835 1.00 0.00 O ATOM 540 OD2 ASP A 37 -11.302 3.196 -4.912 1.00 0.00 O ATOM 0 H ASP A 37 -9.691 1.918 -2.638 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.564 2.880 -4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.076 4.318 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.975 4.991 -4.261 1.00 0.00 H new ATOM 545 N TYR A 38 -7.989 4.744 -1.306 1.00 0.00 N ATOM 546 CA TYR A 38 -7.302 5.647 -0.390 1.00 0.00 C ATOM 547 C TYR A 38 -6.264 4.897 0.439 1.00 0.00 C ATOM 548 O TYR A 38 -5.107 5.310 0.528 1.00 0.00 O ATOM 549 CB TYR A 38 -8.310 6.334 0.534 1.00 0.00 C ATOM 550 CG TYR A 38 -8.571 5.574 1.815 1.00 0.00 C ATOM 551 CD1 TYR A 38 -7.606 5.503 2.812 1.00 0.00 C ATOM 552 CD2 TYR A 38 -9.782 4.927 2.028 1.00 0.00 C ATOM 553 CE1 TYR A 38 -7.840 4.810 3.985 1.00 0.00 C ATOM 554 CE2 TYR A 38 -10.025 4.233 3.197 1.00 0.00 C ATOM 555 CZ TYR A 38 -9.051 4.177 4.173 1.00 0.00 C ATOM 556 OH TYR A 38 -9.289 3.486 5.338 1.00 0.00 O ATOM 0 H TYR A 38 -8.970 4.579 -1.079 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.788 6.404 -0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.944 7.331 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.251 6.463 -0.000 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.657 5.998 2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -10.546 4.968 1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.079 4.764 4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.972 3.737 3.347 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.247 3.513 5.544 1.00 0.00 H new ATOM 566 N CYS A 39 -6.686 3.792 1.044 1.00 0.00 N ATOM 567 CA CYS A 39 -5.795 2.982 1.866 1.00 0.00 C ATOM 568 C CYS A 39 -4.375 2.998 1.307 1.00 0.00 C ATOM 569 O CYS A 39 -3.454 3.516 1.938 1.00 0.00 O ATOM 570 CB CYS A 39 -6.308 1.543 1.944 1.00 0.00 C ATOM 571 SG CYS A 39 -5.697 0.613 3.387 1.00 0.00 S ATOM 0 H CYS A 39 -7.640 3.437 0.980 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.777 3.409 2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.398 1.558 1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.018 1.015 1.036 1.00 0.00 H new ATOM 576 N GLY A 40 -4.206 2.426 0.119 1.00 0.00 N ATOM 577 CA GLY A 40 -2.896 2.385 -0.505 1.00 0.00 C ATOM 578 C GLY A 40 -2.403 3.761 -0.908 1.00 0.00 C ATOM 579 O GLY A 40 -1.240 4.099 -0.691 1.00 0.00 O ATOM 0 H GLY A 40 -4.953 1.990 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.182 1.934 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.936 1.744 -1.386 1.00 0.00 H new ATOM 583 N ALA A 41 -3.289 4.556 -1.499 1.00 0.00 N ATOM 584 CA ALA A 41 -2.937 5.902 -1.933 1.00 0.00 C ATOM 585 C ALA A 41 -2.029 6.587 -0.917 1.00 0.00 C ATOM 586 O ALA A 41 -1.078 7.276 -1.287 1.00 0.00 O ATOM 587 CB ALA A 41 -4.194 6.729 -2.160 1.00 0.00 C ATOM 0 H ALA A 41 -4.256 4.291 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.392 5.822 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.916 7.732 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.807 6.257 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.761 6.792 -1.231 1.00 0.00 H new ATOM 593 N ARG A 42 -2.327 6.392 0.363 1.00 0.00 N ATOM 594 CA ARG A 42 -1.538 6.992 1.431 1.00 0.00 C ATOM 595 C ARG A 42 -0.056 6.672 1.258 1.00 0.00 C ATOM 596 O ARG A 42 0.306 5.649 0.677 1.00 0.00 O ATOM 597 CB ARG A 42 -2.023 6.494 2.794 1.00 0.00 C ATOM 598 CG ARG A 42 -3.477 6.828 3.083 1.00 0.00 C ATOM 599 CD ARG A 42 -3.876 6.411 4.490 1.00 0.00 C ATOM 600 NE ARG A 42 -4.349 5.030 4.538 1.00 0.00 N ATOM 601 CZ ARG A 42 -4.519 4.351 5.667 1.00 0.00 C ATOM 602 NH1 ARG A 42 -4.256 4.922 6.834 1.00 0.00 N ATOM 603 NH2 ARG A 42 -4.953 3.097 5.629 1.00 0.00 N ATOM 0 H ARG A 42 -3.110 5.823 0.686 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.667 8.073 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.890 5.413 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.397 6.929 3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.636 7.899 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.118 6.326 2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.022 6.525 5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.659 7.075 4.857 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.560 4.562 3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.922 5.885 6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.388 4.398 7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.156 2.655 4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.083 2.576 6.496 1.00 0.00 H new ATOM 617 N THR A 43 0.798 7.556 1.766 1.00 0.00 N ATOM 618 CA THR A 43 2.240 7.369 1.666 1.00 0.00 C ATOM 619 C THR A 43 2.848 7.046 3.027 1.00 0.00 C ATOM 620 O THR A 43 2.175 7.132 4.053 1.00 0.00 O ATOM 621 CB THR A 43 2.930 8.620 1.092 1.00 0.00 C ATOM 622 OG1 THR A 43 2.688 9.747 1.942 1.00 0.00 O ATOM 623 CG2 THR A 43 2.427 8.920 -0.312 1.00 0.00 C ATOM 0 H THR A 43 0.516 8.408 2.251 1.00 0.00 H new ATOM 0 HA THR A 43 2.404 6.530 0.989 1.00 0.00 H new ATOM 0 HB THR A 43 4.001 8.426 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.992 10.565 1.495 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.929 9.808 -0.696 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.640 8.072 -0.964 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.352 9.095 -0.284 1.00 0.00 H new ATOM 631 N GLU A 44 4.125 6.675 3.026 1.00 0.00 N ATOM 632 CA GLU A 44 4.822 6.340 4.262 1.00 0.00 C ATOM 633 C GLU A 44 6.264 6.837 4.225 1.00 0.00 C ATOM 634 O GLU A 44 6.868 6.948 3.157 1.00 0.00 O ATOM 635 CB GLU A 44 4.798 4.827 4.493 1.00 0.00 C ATOM 636 CG GLU A 44 4.822 4.435 5.961 1.00 0.00 C ATOM 637 CD GLU A 44 5.253 2.997 6.174 1.00 0.00 C ATOM 638 OE1 GLU A 44 6.475 2.744 6.210 1.00 0.00 O ATOM 639 OE2 GLU A 44 4.368 2.125 6.303 1.00 0.00 O ATOM 0 H GLU A 44 4.697 6.599 2.185 1.00 0.00 H new ATOM 0 HA GLU A 44 4.307 6.834 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.903 4.411 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.655 4.378 3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.500 5.097 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.830 4.580 6.388 1.00 0.00 H new ATOM 646 N LEU A 45 6.811 7.136 5.398 1.00 0.00 N ATOM 647 CA LEU A 45 8.183 7.622 5.501 1.00 0.00 C ATOM 648 C LEU A 45 9.164 6.461 5.632 1.00 0.00 C ATOM 649 O LEU A 45 9.193 5.772 6.652 1.00 0.00 O ATOM 650 CB LEU A 45 8.323 8.561 6.701 1.00 0.00 C ATOM 651 CG LEU A 45 9.748 8.981 7.061 1.00 0.00 C ATOM 652 CD1 LEU A 45 10.267 10.014 6.073 1.00 0.00 C ATOM 653 CD2 LEU A 45 9.801 9.525 8.481 1.00 0.00 C ATOM 0 H LEU A 45 6.326 7.051 6.291 1.00 0.00 H new ATOM 0 HA LEU A 45 8.418 8.170 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.739 9.460 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.878 8.077 7.570 1.00 0.00 H new ATOM 0 HG LEU A 45 10.390 8.102 7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.283 10.300 6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.267 9.589 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.624 10.894 6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.823 9.819 8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.145 10.392 8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.473 8.754 9.178 1.00 0.00 H new ATOM 665 N CYS A 46 9.967 6.251 4.595 1.00 0.00 N ATOM 666 CA CYS A 46 10.951 5.176 4.593 1.00 0.00 C ATOM 667 C CYS A 46 12.054 5.446 5.612 1.00 0.00 C ATOM 668 O CYS A 46 12.214 6.571 6.085 1.00 0.00 O ATOM 669 CB CYS A 46 11.558 5.014 3.199 1.00 0.00 C ATOM 670 SG CYS A 46 12.693 3.597 3.042 1.00 0.00 S ATOM 0 H CYS A 46 9.955 6.812 3.744 1.00 0.00 H new ATOM 0 HA CYS A 46 10.443 4.252 4.870 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.752 4.902 2.474 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.095 5.926 2.940 1.00 0.00 H new ATOM 675 N GLY A 47 12.812 4.406 5.946 1.00 0.00 N ATOM 676 CA GLY A 47 13.890 4.552 6.906 1.00 0.00 C ATOM 677 C GLY A 47 15.248 4.663 6.241 1.00 0.00 C ATOM 678 O GLY A 47 16.165 5.277 6.786 1.00 0.00 O ATOM 0 H GLY A 47 12.699 3.465 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.713 5.439 7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.889 3.697 7.582 1.00 0.00 H new ATOM 682 N ASN A 48 15.377 4.067 5.061 1.00 0.00 N ATOM 683 CA ASN A 48 16.634 4.100 4.322 1.00 0.00 C ATOM 684 C ASN A 48 16.806 5.433 3.600 1.00 0.00 C ATOM 685 O ASN A 48 17.731 6.193 3.888 1.00 0.00 O ATOM 686 CB ASN A 48 16.687 2.950 3.313 1.00 0.00 C ATOM 687 CG ASN A 48 16.606 1.591 3.981 1.00 0.00 C ATOM 688 OD1 ASN A 48 17.618 1.033 4.402 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.396 1.053 4.080 1.00 0.00 N ATOM 0 H ASN A 48 14.627 3.555 4.596 1.00 0.00 H new ATOM 0 HA ASN A 48 17.450 3.986 5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.865 3.053 2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.612 3.016 2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.278 0.140 4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.584 1.553 3.716 1.00 0.00 H new ATOM 696 N CYS A 49 15.908 5.710 2.660 1.00 0.00 N ATOM 697 CA CYS A 49 15.958 6.951 1.896 1.00 0.00 C ATOM 698 C CYS A 49 15.292 8.090 2.663 1.00 0.00 C ATOM 699 O CYS A 49 15.833 9.191 2.754 1.00 0.00 O ATOM 700 CB CYS A 49 15.276 6.767 0.539 1.00 0.00 C ATOM 701 SG CYS A 49 13.522 6.288 0.649 1.00 0.00 S ATOM 0 H CYS A 49 15.137 5.091 2.409 1.00 0.00 H new ATOM 0 HA CYS A 49 17.005 7.208 1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 49 15.353 7.697 -0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.815 6.007 -0.027 1.00 0.00 H new ATOM 706 N GLY A 50 14.113 7.815 3.214 1.00 0.00 N ATOM 707 CA GLY A 50 13.392 8.825 3.966 1.00 0.00 C ATOM 708 C GLY A 50 12.487 9.666 3.087 1.00 0.00 C ATOM 709 O GLY A 50 12.462 10.891 3.204 1.00 0.00 O ATOM 0 H GLY A 50 13.645 6.911 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.795 8.341 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.106 9.474 4.474 1.00 0.00 H new ATOM 713 N ARG A 51 11.744 9.007 2.204 1.00 0.00 N ATOM 714 CA ARG A 51 10.835 9.703 1.301 1.00 0.00 C ATOM 715 C ARG A 51 9.406 9.198 1.473 1.00 0.00 C ATOM 716 O ARG A 51 9.166 8.205 2.158 1.00 0.00 O ATOM 717 CB ARG A 51 11.282 9.514 -0.150 1.00 0.00 C ATOM 718 CG ARG A 51 12.717 9.946 -0.406 1.00 0.00 C ATOM 719 CD ARG A 51 12.997 10.093 -1.894 1.00 0.00 C ATOM 720 NE ARG A 51 13.156 8.798 -2.551 1.00 0.00 N ATOM 721 CZ ARG A 51 13.639 8.652 -3.780 1.00 0.00 C ATOM 722 NH1 ARG A 51 14.008 9.714 -4.481 1.00 0.00 N ATOM 723 NH2 ARG A 51 13.753 7.440 -4.309 1.00 0.00 N ATOM 0 H ARG A 51 11.753 7.993 2.095 1.00 0.00 H new ATOM 0 HA ARG A 51 10.859 10.765 1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.174 8.464 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.619 10.082 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.908 10.894 0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.401 9.214 0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.180 10.640 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.901 10.685 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 51 12.881 7.960 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.922 10.647 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.379 9.599 -5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.470 6.620 -3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.124 7.328 -5.253 1.00 0.00 H new ATOM 737 N ASN A 52 8.460 9.892 0.848 1.00 0.00 N ATOM 738 CA ASN A 52 7.053 9.515 0.933 1.00 0.00 C ATOM 739 C ASN A 52 6.676 8.564 -0.198 1.00 0.00 C ATOM 740 O ASN A 52 6.602 8.962 -1.361 1.00 0.00 O ATOM 741 CB ASN A 52 6.166 10.761 0.884 1.00 0.00 C ATOM 742 CG ASN A 52 6.714 11.894 1.730 1.00 0.00 C ATOM 743 OD1 ASN A 52 7.058 12.958 1.214 1.00 0.00 O ATOM 744 ND2 ASN A 52 6.798 11.670 3.036 1.00 0.00 N ATOM 0 H ASN A 52 8.642 10.718 0.278 1.00 0.00 H new ATOM 0 HA ASN A 52 6.896 9.003 1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.071 11.096 -0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.165 10.505 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.159 12.395 3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.501 10.773 3.420 1.00 0.00 H new ATOM 751 N VAL A 53 6.436 7.304 0.151 1.00 0.00 N ATOM 752 CA VAL A 53 6.064 6.295 -0.834 1.00 0.00 C ATOM 753 C VAL A 53 4.721 5.660 -0.490 1.00 0.00 C ATOM 754 O VAL A 53 4.403 5.451 0.682 1.00 0.00 O ATOM 755 CB VAL A 53 7.131 5.189 -0.936 1.00 0.00 C ATOM 756 CG1 VAL A 53 6.742 4.167 -1.993 1.00 0.00 C ATOM 757 CG2 VAL A 53 8.494 5.792 -1.242 1.00 0.00 C ATOM 0 H VAL A 53 6.493 6.958 1.109 1.00 0.00 H new ATOM 0 HA VAL A 53 5.987 6.804 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 53 7.192 4.677 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.508 3.394 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.787 3.713 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.652 4.661 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.236 4.997 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.450 6.330 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.774 6.482 -0.446 1.00 0.00 H new ATOM 767 N LEU A 54 3.937 5.354 -1.517 1.00 0.00 N ATOM 768 CA LEU A 54 2.627 4.741 -1.325 1.00 0.00 C ATOM 769 C LEU A 54 2.730 3.502 -0.441 1.00 0.00 C ATOM 770 O LEU A 54 3.654 2.701 -0.583 1.00 0.00 O ATOM 771 CB LEU A 54 2.013 4.368 -2.675 1.00 0.00 C ATOM 772 CG LEU A 54 1.959 5.484 -3.719 1.00 0.00 C ATOM 773 CD1 LEU A 54 1.610 4.919 -5.087 1.00 0.00 C ATOM 774 CD2 LEU A 54 0.954 6.551 -3.309 1.00 0.00 C ATOM 0 H LEU A 54 4.185 5.520 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 54 1.983 5.467 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.580 3.535 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.998 4.009 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 54 2.945 5.946 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.576 5.728 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.367 4.193 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.637 4.431 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.929 7.337 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.036 6.103 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.248 6.978 -2.350 1.00 0.00 H new ATOM 786 N VAL A 55 1.775 3.351 0.471 1.00 0.00 N ATOM 787 CA VAL A 55 1.756 2.208 1.376 1.00 0.00 C ATOM 788 C VAL A 55 1.798 0.894 0.604 1.00 0.00 C ATOM 789 O VAL A 55 2.494 -0.045 0.991 1.00 0.00 O ATOM 790 CB VAL A 55 0.505 2.223 2.274 1.00 0.00 C ATOM 791 CG1 VAL A 55 0.422 0.946 3.096 1.00 0.00 C ATOM 792 CG2 VAL A 55 0.511 3.448 3.175 1.00 0.00 C ATOM 0 H VAL A 55 1.004 4.006 0.603 1.00 0.00 H new ATOM 0 HA VAL A 55 2.645 2.287 2.002 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.378 2.274 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.468 0.975 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.367 0.086 2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.308 0.860 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.380 3.442 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.399 3.431 3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.518 4.350 2.563 1.00 0.00 H new ATOM 802 N LYS A 56 1.049 0.835 -0.492 1.00 0.00 N ATOM 803 CA LYS A 56 1.001 -0.363 -1.323 1.00 0.00 C ATOM 804 C LYS A 56 2.331 -0.584 -2.036 1.00 0.00 C ATOM 805 O LYS A 56 2.789 -1.718 -2.178 1.00 0.00 O ATOM 806 CB LYS A 56 -0.128 -0.252 -2.349 1.00 0.00 C ATOM 807 CG LYS A 56 0.107 0.822 -3.398 1.00 0.00 C ATOM 808 CD LYS A 56 0.838 0.267 -4.609 1.00 0.00 C ATOM 809 CE LYS A 56 1.205 1.369 -5.591 1.00 0.00 C ATOM 810 NZ LYS A 56 0.063 1.723 -6.479 1.00 0.00 N ATOM 0 H LYS A 56 0.467 1.603 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 56 0.811 -1.218 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.251 -1.214 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.062 -0.041 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.849 1.243 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.687 1.636 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.742 -0.249 -4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.210 -0.472 -5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.525 2.254 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.051 1.048 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.353 2.477 -7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.227 0.885 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.736 2.054 -5.902 1.00 0.00 H new ATOM 824 N ASP A 57 2.947 0.506 -2.482 1.00 0.00 N ATOM 825 CA ASP A 57 4.226 0.431 -3.178 1.00 0.00 C ATOM 826 C ASP A 57 5.323 -0.074 -2.246 1.00 0.00 C ATOM 827 O ASP A 57 6.212 -0.818 -2.663 1.00 0.00 O ATOM 828 CB ASP A 57 4.607 1.802 -3.739 1.00 0.00 C ATOM 829 CG ASP A 57 5.837 1.744 -4.623 1.00 0.00 C ATOM 830 OD1 ASP A 57 6.867 1.201 -4.172 1.00 0.00 O ATOM 831 OD2 ASP A 57 5.769 2.242 -5.766 1.00 0.00 O ATOM 0 H ASP A 57 2.581 1.452 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 57 4.122 -0.274 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.770 2.202 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.788 2.491 -2.914 1.00 0.00 H new ATOM 836 N LEU A 58 5.255 0.335 -0.985 1.00 0.00 N ATOM 837 CA LEU A 58 6.244 -0.075 0.007 1.00 0.00 C ATOM 838 C LEU A 58 6.679 -1.518 -0.223 1.00 0.00 C ATOM 839 O LEU A 58 7.808 -1.896 0.094 1.00 0.00 O ATOM 840 CB LEU A 58 5.674 0.079 1.418 1.00 0.00 C ATOM 841 CG LEU A 58 5.719 1.489 2.010 1.00 0.00 C ATOM 842 CD1 LEU A 58 4.739 1.614 3.166 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.130 1.831 2.465 1.00 0.00 C ATOM 0 H LEU A 58 4.526 0.950 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 58 7.117 0.570 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.637 -0.256 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.219 -0.590 2.084 1.00 0.00 H new ATOM 0 HG LEU A 58 5.427 2.198 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.785 2.624 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.729 1.412 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.000 0.896 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.143 2.837 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.450 1.118 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.809 1.783 1.613 1.00 0.00 H new ATOM 855 N LYS A 59 5.778 -2.321 -0.778 1.00 0.00 N ATOM 856 CA LYS A 59 6.069 -3.723 -1.055 1.00 0.00 C ATOM 857 C LYS A 59 7.291 -3.857 -1.958 1.00 0.00 C ATOM 858 O LYS A 59 8.223 -4.602 -1.653 1.00 0.00 O ATOM 859 CB LYS A 59 4.861 -4.396 -1.710 1.00 0.00 C ATOM 860 CG LYS A 59 3.893 -5.011 -0.714 1.00 0.00 C ATOM 861 CD LYS A 59 2.977 -3.962 -0.107 1.00 0.00 C ATOM 862 CE LYS A 59 2.094 -4.555 0.980 1.00 0.00 C ATOM 863 NZ LYS A 59 1.626 -3.518 1.942 1.00 0.00 N ATOM 0 H LYS A 59 4.839 -2.025 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 59 6.283 -4.218 -0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.329 -3.661 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.212 -5.173 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.294 -5.775 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.452 -5.509 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.576 -3.152 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.353 -3.527 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.232 -5.041 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.647 -5.325 1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.027 -3.962 2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.447 -3.071 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.076 -2.796 1.434 1.00 0.00 H new ATOM 877 N THR A 60 7.281 -3.131 -3.072 1.00 0.00 N ATOM 878 CA THR A 60 8.388 -3.168 -4.019 1.00 0.00 C ATOM 879 C THR A 60 9.151 -1.849 -4.026 1.00 0.00 C ATOM 880 O THR A 60 9.894 -1.555 -4.963 1.00 0.00 O ATOM 881 CB THR A 60 7.896 -3.471 -5.446 1.00 0.00 C ATOM 882 OG1 THR A 60 9.014 -3.651 -6.323 1.00 0.00 O ATOM 883 CG2 THR A 60 7.014 -2.346 -5.965 1.00 0.00 C ATOM 0 H THR A 60 6.518 -2.510 -3.340 1.00 0.00 H new ATOM 0 HA THR A 60 9.054 -3.967 -3.695 1.00 0.00 H new ATOM 0 HB THR A 60 7.308 -4.388 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.685 -2.960 -6.143 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.679 -2.583 -6.975 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.148 -2.232 -5.313 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.582 -1.416 -5.980 1.00 0.00 H new ATOM 891 N HIS A 61 8.963 -1.056 -2.975 1.00 0.00 N ATOM 892 CA HIS A 61 9.635 0.233 -2.861 1.00 0.00 C ATOM 893 C HIS A 61 11.141 0.048 -2.697 1.00 0.00 C ATOM 894 O HIS A 61 11.947 0.768 -3.288 1.00 0.00 O ATOM 895 CB HIS A 61 9.075 1.021 -1.676 1.00 0.00 C ATOM 896 CG HIS A 61 9.964 2.138 -1.225 1.00 0.00 C ATOM 897 ND1 HIS A 61 10.404 3.137 -2.068 1.00 0.00 N ATOM 898 CD2 HIS A 61 10.494 2.413 -0.010 1.00 0.00 C ATOM 899 CE1 HIS A 61 11.168 3.976 -1.392 1.00 0.00 C ATOM 900 NE2 HIS A 61 11.238 3.559 -0.140 1.00 0.00 N ATOM 0 H HIS A 61 8.351 -1.284 -2.191 1.00 0.00 H new ATOM 0 HA HIS A 61 9.453 0.792 -3.779 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.102 1.430 -1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.911 0.339 -0.842 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.175 3.216 -3.059 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.357 1.838 0.894 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.653 4.853 -1.794 1.00 0.00 H new ATOM 908 N PRO A 62 11.531 -0.938 -1.876 1.00 0.00 N ATOM 909 CA PRO A 62 12.941 -1.240 -1.616 1.00 0.00 C ATOM 910 C PRO A 62 13.762 -1.329 -2.898 1.00 0.00 C ATOM 911 O PRO A 62 14.904 -0.874 -2.947 1.00 0.00 O ATOM 912 CB PRO A 62 12.890 -2.602 -0.919 1.00 0.00 C ATOM 913 CG PRO A 62 11.543 -2.652 -0.283 1.00 0.00 C ATOM 914 CD PRO A 62 10.624 -1.835 -1.139 1.00 0.00 C ATOM 0 HA PRO A 62 13.421 -0.460 -1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.022 -3.416 -1.631 1.00 0.00 H new ATOM 0 HB3 PRO A 62 13.682 -2.697 -0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.189 -3.680 -0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.580 -2.255 0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.045 -2.463 -1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.910 -1.274 -0.536 1.00 0.00 H new ATOM 922 N GLU A 63 13.170 -1.916 -3.934 1.00 0.00 N ATOM 923 CA GLU A 63 13.848 -2.063 -5.217 1.00 0.00 C ATOM 924 C GLU A 63 14.397 -0.723 -5.699 1.00 0.00 C ATOM 925 O GLU A 63 15.603 -0.565 -5.889 1.00 0.00 O ATOM 926 CB GLU A 63 12.891 -2.641 -6.261 1.00 0.00 C ATOM 927 CG GLU A 63 12.665 -4.137 -6.118 1.00 0.00 C ATOM 928 CD GLU A 63 12.604 -4.582 -4.670 1.00 0.00 C ATOM 929 OE1 GLU A 63 11.697 -4.122 -3.945 1.00 0.00 O ATOM 930 OE2 GLU A 63 13.463 -5.391 -4.261 1.00 0.00 O ATOM 0 H GLU A 63 12.224 -2.297 -3.910 1.00 0.00 H new ATOM 0 HA GLU A 63 14.683 -2.750 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.932 -2.128 -6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.285 -2.435 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.735 -4.410 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.468 -4.672 -6.625 1.00 0.00 H new ATOM 937 N VAL A 64 13.501 0.239 -5.897 1.00 0.00 N ATOM 938 CA VAL A 64 13.894 1.566 -6.358 1.00 0.00 C ATOM 939 C VAL A 64 14.598 2.345 -5.252 1.00 0.00 C ATOM 940 O VAL A 64 15.481 3.160 -5.518 1.00 0.00 O ATOM 941 CB VAL A 64 12.677 2.374 -6.845 1.00 0.00 C ATOM 942 CG1 VAL A 64 11.995 1.664 -8.005 1.00 0.00 C ATOM 943 CG2 VAL A 64 11.699 2.606 -5.703 1.00 0.00 C ATOM 0 H VAL A 64 12.499 0.125 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 64 14.582 1.421 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 64 13.025 3.345 -7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.137 2.249 -8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.700 1.554 -8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.659 0.679 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.845 3.179 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.355 1.646 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.195 3.160 -4.906 1.00 0.00 H new ATOM 953 N CYS A 65 14.200 2.089 -4.010 1.00 0.00 N ATOM 954 CA CYS A 65 14.792 2.765 -2.863 1.00 0.00 C ATOM 955 C CYS A 65 16.292 2.495 -2.785 1.00 0.00 C ATOM 956 O CYS A 65 16.770 1.454 -3.236 1.00 0.00 O ATOM 957 CB CYS A 65 14.113 2.310 -1.570 1.00 0.00 C ATOM 958 SG CYS A 65 14.890 2.956 -0.054 1.00 0.00 S ATOM 0 H CYS A 65 13.470 1.418 -3.773 1.00 0.00 H new ATOM 0 HA CYS A 65 14.640 3.837 -2.988 1.00 0.00 H new ATOM 0 HB2 CYS A 65 13.069 2.622 -1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.119 1.221 -1.533 1.00 0.00 H new ATOM 963 N GLY A 66 17.029 3.440 -2.210 1.00 0.00 N ATOM 964 CA GLY A 66 18.467 3.285 -2.084 1.00 0.00 C ATOM 965 C GLY A 66 19.132 2.950 -3.404 1.00 0.00 C ATOM 966 O GLY A 66 20.007 2.086 -3.465 1.00 0.00 O ATOM 0 H GLY A 66 16.657 4.310 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.895 4.206 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.683 2.497 -1.362 1.00 0.00 H new ATOM 970 N ARG A 67 18.716 3.635 -4.465 1.00 0.00 N ATOM 971 CA ARG A 67 19.276 3.404 -5.791 1.00 0.00 C ATOM 972 C ARG A 67 20.391 4.401 -6.091 1.00 0.00 C ATOM 973 O ARG A 67 21.497 4.014 -6.469 1.00 0.00 O ATOM 974 CB ARG A 67 18.182 3.511 -6.855 1.00 0.00 C ATOM 975 CG ARG A 67 18.666 3.191 -8.260 1.00 0.00 C ATOM 976 CD ARG A 67 18.973 1.711 -8.421 1.00 0.00 C ATOM 977 NE ARG A 67 19.529 1.406 -9.736 1.00 0.00 N ATOM 978 CZ ARG A 67 20.827 1.445 -10.013 1.00 0.00 C ATOM 979 NH1 ARG A 67 21.699 1.774 -9.069 1.00 0.00 N ATOM 980 NH2 ARG A 67 21.256 1.155 -11.234 1.00 0.00 N ATOM 0 H ARG A 67 17.993 4.354 -4.432 1.00 0.00 H new ATOM 0 HA ARG A 67 19.696 2.398 -5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.368 2.833 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 67 17.772 4.521 -6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.906 3.487 -8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 67 19.560 3.775 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 67 19.678 1.401 -7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 67 18.061 1.133 -8.271 1.00 0.00 H new ATOM 0 HE ARG A 67 18.885 1.149 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 67 21.373 1.997 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 67 22.696 1.803 -9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.588 0.901 -11.962 1.00 0.00 H new ATOM 0 HH22 ARG A 67 22.254 1.186 -11.445 1.00 0.00 H new ATOM 994 N GLU A 68 20.093 5.685 -5.921 1.00 0.00 N ATOM 995 CA GLU A 68 21.070 6.737 -6.176 1.00 0.00 C ATOM 996 C GLU A 68 22.470 6.288 -5.767 1.00 0.00 C ATOM 997 O GLU A 68 23.417 6.383 -6.547 1.00 0.00 O ATOM 998 CB GLU A 68 20.690 8.011 -5.419 1.00 0.00 C ATOM 999 CG GLU A 68 21.311 9.271 -5.999 1.00 0.00 C ATOM 1000 CD GLU A 68 20.923 10.519 -5.231 1.00 0.00 C ATOM 1001 OE1 GLU A 68 19.811 10.546 -4.664 1.00 0.00 O ATOM 1002 OE2 GLU A 68 21.733 11.469 -5.196 1.00 0.00 O ATOM 0 H GLU A 68 19.183 6.022 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 68 21.071 6.946 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.605 8.116 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.997 7.910 -4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 68 22.396 9.171 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.002 9.378 -7.039 1.00 0.00 H new ATOM 1009 N GLY A 69 22.594 5.799 -4.537 1.00 0.00 N ATOM 1010 CA GLY A 69 23.881 5.344 -4.045 1.00 0.00 C ATOM 1011 C GLY A 69 23.803 4.804 -2.631 1.00 0.00 C ATOM 1012 O GLY A 69 24.417 3.785 -2.314 1.00 0.00 O ATOM 0 H GLY A 69 21.826 5.710 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 69 24.266 4.568 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 69 24.591 6.170 -4.076 1.00 0.00 H new ATOM 1016 N SER A 70 23.047 5.488 -1.778 1.00 0.00 N ATOM 1017 CA SER A 70 22.896 5.074 -0.388 1.00 0.00 C ATOM 1018 C SER A 70 22.867 3.553 -0.275 1.00 0.00 C ATOM 1019 O SER A 70 23.624 2.961 0.494 1.00 0.00 O ATOM 1020 CB SER A 70 21.616 5.666 0.206 1.00 0.00 C ATOM 1021 OG SER A 70 21.796 7.029 0.548 1.00 0.00 O ATOM 0 H SER A 70 22.529 6.331 -2.025 1.00 0.00 H new ATOM 0 HA SER A 70 23.754 5.446 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.801 5.572 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A 70 21.327 5.101 1.092 1.00 0.00 H new ATOM 0 HG SER A 70 20.964 7.385 0.924 1.00 0.00 H new ATOM 1027 N GLY A 71 21.985 2.925 -1.047 1.00 0.00 N ATOM 1028 CA GLY A 71 21.872 1.478 -1.019 1.00 0.00 C ATOM 1029 C GLY A 71 21.203 0.973 0.243 1.00 0.00 C ATOM 1030 O GLY A 71 21.565 1.353 1.357 1.00 0.00 O ATOM 0 H GLY A 71 21.347 3.392 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 71 21.303 1.144 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 71 22.866 1.037 -1.101 1.00 0.00 H new ATOM 1034 N PRO A 72 20.202 0.096 0.077 1.00 0.00 N ATOM 1035 CA PRO A 72 19.459 -0.479 1.202 1.00 0.00 C ATOM 1036 C PRO A 72 20.304 -1.451 2.019 1.00 0.00 C ATOM 1037 O PRO A 72 20.406 -2.631 1.686 1.00 0.00 O ATOM 1038 CB PRO A 72 18.303 -1.217 0.523 1.00 0.00 C ATOM 1039 CG PRO A 72 18.806 -1.534 -0.843 1.00 0.00 C ATOM 1040 CD PRO A 72 19.718 -0.401 -1.222 1.00 0.00 C ATOM 0 HA PRO A 72 19.138 0.284 1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.038 -2.123 1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.408 -0.597 0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 72 19.340 -2.484 -0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 72 17.982 -1.625 -1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.539 -0.740 -1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 72 19.188 0.373 -1.776 1.00 0.00 H new ATOM 1048 N SER A 73 20.908 -0.946 3.090 1.00 0.00 N ATOM 1049 CA SER A 73 21.748 -1.769 3.953 1.00 0.00 C ATOM 1050 C SER A 73 21.174 -3.176 4.087 1.00 0.00 C ATOM 1051 O SER A 73 21.904 -4.165 4.024 1.00 0.00 O ATOM 1052 CB SER A 73 21.881 -1.126 5.334 1.00 0.00 C ATOM 1053 OG SER A 73 22.792 -1.846 6.147 1.00 0.00 O ATOM 0 H SER A 73 20.832 0.029 3.381 1.00 0.00 H new ATOM 0 HA SER A 73 22.736 -1.840 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.220 -0.096 5.228 1.00 0.00 H new ATOM 0 HB3 SER A 73 20.905 -1.092 5.818 1.00 0.00 H new ATOM 0 HG SER A 73 22.860 -1.414 7.024 1.00 0.00 H new ATOM 1059 N SER A 74 19.860 -3.257 4.274 1.00 0.00 N ATOM 1060 CA SER A 74 19.187 -4.542 4.422 1.00 0.00 C ATOM 1061 C SER A 74 17.953 -4.615 3.528 1.00 0.00 C ATOM 1062 O SER A 74 17.370 -3.592 3.171 1.00 0.00 O ATOM 1063 CB SER A 74 18.788 -4.768 5.881 1.00 0.00 C ATOM 1064 OG SER A 74 17.649 -3.997 6.223 1.00 0.00 O ATOM 0 H SER A 74 19.241 -2.448 4.327 1.00 0.00 H new ATOM 0 HA SER A 74 19.882 -5.325 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 74 18.578 -5.825 6.044 1.00 0.00 H new ATOM 0 HB3 SER A 74 19.620 -4.503 6.534 1.00 0.00 H new ATOM 0 HG SER A 74 17.413 -4.160 7.160 1.00 0.00 H new ATOM 1070 N GLY A 75 17.560 -5.834 3.169 1.00 0.00 N ATOM 1071 CA GLY A 75 16.398 -6.019 2.320 1.00 0.00 C ATOM 1072 C GLY A 75 15.095 -5.828 3.070 1.00 0.00 C ATOM 1073 O GLY A 75 14.728 -4.688 3.353 1.00 0.00 O ATOM 0 H GLY A 75 18.026 -6.696 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.442 -5.314 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.422 -7.020 1.889 1.00 0.00 H new TER 1077 GLY A 75 HETATM 1078 ZN ZN A 401 -7.159 -1.194 3.736 1.00 0.00 ZN HETATM 1079 ZN ZN A 601 12.984 4.033 0.763 1.00 0.00 ZN