USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0864 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.116 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0126 X(o=-0.013,f=-0.35) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -0.0613 (180deg=-0.428) USER MOD Single : A 13 HIS : no HE2:sc= -0.371 X(o=-0.37,f=-0.57) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.057) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.128 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -129:sc= -3.02 (180deg=-8.65!) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0127 (180deg=-0.173) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.16) USER MOD Single : A 56 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.946 K(o=-0.95,f=-1.7) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc=-0.000221 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.498 1.927 -19.617 1.00 0.00 N ATOM 2 CA GLY A 1 7.651 0.872 -20.142 1.00 0.00 C ATOM 3 C GLY A 1 7.261 -0.139 -19.082 1.00 0.00 C ATOM 4 O GLY A 1 7.777 -0.109 -17.965 1.00 0.00 O ATOM 0 H1 GLY A 1 7.951 2.809 -19.546 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.844 1.657 -18.674 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.307 2.072 -20.254 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.750 1.312 -20.569 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.171 0.362 -20.953 1.00 0.00 H new ATOM 8 N SER A 2 6.345 -1.037 -19.432 1.00 0.00 N ATOM 9 CA SER A 2 5.881 -2.059 -18.501 1.00 0.00 C ATOM 10 C SER A 2 5.600 -3.370 -19.229 1.00 0.00 C ATOM 11 O SER A 2 4.919 -3.390 -20.254 1.00 0.00 O ATOM 12 CB SER A 2 4.620 -1.584 -17.777 1.00 0.00 C ATOM 13 OG SER A 2 3.547 -1.404 -18.685 1.00 0.00 O ATOM 0 H SER A 2 5.910 -1.077 -20.354 1.00 0.00 H new ATOM 0 HA SER A 2 6.669 -2.233 -17.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.338 -2.312 -17.016 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.825 -0.646 -17.261 1.00 0.00 H new ATOM 0 HG SER A 2 3.673 -1.990 -19.460 1.00 0.00 H new ATOM 19 N SER A 3 6.130 -4.464 -18.691 1.00 0.00 N ATOM 20 CA SER A 3 5.940 -5.780 -19.290 1.00 0.00 C ATOM 21 C SER A 3 4.913 -6.591 -18.506 1.00 0.00 C ATOM 22 O SER A 3 5.267 -7.392 -17.641 1.00 0.00 O ATOM 23 CB SER A 3 7.269 -6.535 -19.345 1.00 0.00 C ATOM 24 OG SER A 3 7.140 -7.743 -20.075 1.00 0.00 O ATOM 0 H SER A 3 6.694 -4.465 -17.841 1.00 0.00 H new ATOM 0 HA SER A 3 5.568 -5.640 -20.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.029 -5.906 -19.808 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.609 -6.753 -18.333 1.00 0.00 H new ATOM 0 HG SER A 3 8.004 -8.206 -20.097 1.00 0.00 H new ATOM 30 N GLY A 4 3.638 -6.376 -18.814 1.00 0.00 N ATOM 31 CA GLY A 4 2.578 -7.094 -18.130 1.00 0.00 C ATOM 32 C GLY A 4 1.200 -6.702 -18.624 1.00 0.00 C ATOM 33 O GLY A 4 1.050 -5.720 -19.352 1.00 0.00 O ATOM 0 H GLY A 4 3.320 -5.717 -19.525 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.720 -8.166 -18.271 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.645 -6.901 -17.059 1.00 0.00 H new ATOM 37 N SER A 5 0.190 -7.471 -18.230 1.00 0.00 N ATOM 38 CA SER A 5 -1.182 -7.203 -18.642 1.00 0.00 C ATOM 39 C SER A 5 -2.140 -7.339 -17.462 1.00 0.00 C ATOM 40 O SER A 5 -1.905 -8.126 -16.545 1.00 0.00 O ATOM 41 CB SER A 5 -1.597 -8.157 -19.763 1.00 0.00 C ATOM 42 OG SER A 5 -2.756 -7.688 -20.430 1.00 0.00 O ATOM 0 H SER A 5 0.297 -8.285 -17.625 1.00 0.00 H new ATOM 0 HA SER A 5 -1.230 -6.178 -19.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.780 -8.261 -20.477 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.787 -9.148 -19.350 1.00 0.00 H new ATOM 0 HG SER A 5 -2.999 -8.315 -21.143 1.00 0.00 H new ATOM 48 N SER A 6 -3.222 -6.567 -17.494 1.00 0.00 N ATOM 49 CA SER A 6 -4.215 -6.598 -16.427 1.00 0.00 C ATOM 50 C SER A 6 -5.330 -7.587 -16.751 1.00 0.00 C ATOM 51 O SER A 6 -5.346 -8.193 -17.821 1.00 0.00 O ATOM 52 CB SER A 6 -4.802 -5.203 -16.207 1.00 0.00 C ATOM 53 OG SER A 6 -3.801 -4.286 -15.803 1.00 0.00 O ATOM 0 H SER A 6 -3.433 -5.913 -18.247 1.00 0.00 H new ATOM 0 HA SER A 6 -3.719 -6.924 -15.512 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.270 -4.853 -17.127 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.584 -5.250 -15.449 1.00 0.00 H new ATOM 0 HG SER A 6 -4.202 -3.402 -15.671 1.00 0.00 H new ATOM 59 N GLY A 7 -6.263 -7.745 -15.816 1.00 0.00 N ATOM 60 CA GLY A 7 -7.370 -8.661 -16.020 1.00 0.00 C ATOM 61 C GLY A 7 -7.765 -9.386 -14.749 1.00 0.00 C ATOM 62 O GLY A 7 -6.993 -10.182 -14.214 1.00 0.00 O ATOM 0 H GLY A 7 -6.272 -7.255 -14.921 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.229 -8.109 -16.401 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.097 -9.392 -16.781 1.00 0.00 H new ATOM 66 N LYS A 8 -8.969 -9.109 -14.262 1.00 0.00 N ATOM 67 CA LYS A 8 -9.466 -9.739 -13.044 1.00 0.00 C ATOM 68 C LYS A 8 -10.946 -9.430 -12.837 1.00 0.00 C ATOM 69 O LYS A 8 -11.414 -8.340 -13.166 1.00 0.00 O ATOM 70 CB LYS A 8 -8.660 -9.264 -11.834 1.00 0.00 C ATOM 71 CG LYS A 8 -9.154 -9.831 -10.514 1.00 0.00 C ATOM 72 CD LYS A 8 -8.711 -11.272 -10.326 1.00 0.00 C ATOM 73 CE LYS A 8 -9.024 -11.773 -8.924 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.718 -13.223 -8.772 1.00 0.00 N ATOM 0 H LYS A 8 -9.620 -8.452 -14.692 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.349 -10.818 -13.149 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.615 -9.543 -11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.696 -8.176 -11.789 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.777 -9.223 -9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.242 -9.776 -10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.209 -11.906 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.640 -11.352 -10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.447 -11.202 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.077 -11.599 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.945 -13.526 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.287 -13.771 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.708 -13.386 -8.958 1.00 0.00 H new ATOM 88 N ARG A 9 -11.676 -10.395 -12.287 1.00 0.00 N ATOM 89 CA ARG A 9 -13.102 -10.225 -12.035 1.00 0.00 C ATOM 90 C ARG A 9 -13.339 -9.547 -10.689 1.00 0.00 C ATOM 91 O ARG A 9 -13.717 -10.196 -9.715 1.00 0.00 O ATOM 92 CB ARG A 9 -13.812 -11.580 -12.068 1.00 0.00 C ATOM 93 CG ARG A 9 -13.941 -12.167 -13.464 1.00 0.00 C ATOM 94 CD ARG A 9 -12.723 -12.998 -13.833 1.00 0.00 C ATOM 95 NE ARG A 9 -12.848 -14.382 -13.384 1.00 0.00 N ATOM 96 CZ ARG A 9 -13.562 -15.301 -14.026 1.00 0.00 C ATOM 97 NH1 ARG A 9 -14.210 -14.985 -15.138 1.00 0.00 N ATOM 98 NH2 ARG A 9 -13.628 -16.540 -13.554 1.00 0.00 N ATOM 0 H ARG A 9 -11.303 -11.302 -12.007 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.511 -9.589 -12.820 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.266 -12.282 -11.437 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.807 -11.470 -11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.836 -12.787 -13.518 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.067 -11.362 -14.188 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.585 -12.979 -14.914 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.832 -12.552 -13.390 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.361 -14.658 -12.531 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.162 -14.034 -15.504 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.757 -15.693 -15.628 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.131 -16.787 -12.698 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.176 -17.245 -14.047 1.00 0.00 H new ATOM 112 N GLN A 10 -13.114 -8.237 -10.645 1.00 0.00 N ATOM 113 CA GLN A 10 -13.302 -7.472 -9.418 1.00 0.00 C ATOM 114 C GLN A 10 -14.578 -6.640 -9.486 1.00 0.00 C ATOM 115 O GLN A 10 -14.821 -5.935 -10.466 1.00 0.00 O ATOM 116 CB GLN A 10 -12.098 -6.562 -9.170 1.00 0.00 C ATOM 117 CG GLN A 10 -10.893 -7.290 -8.596 1.00 0.00 C ATOM 118 CD GLN A 10 -10.994 -7.495 -7.098 1.00 0.00 C ATOM 119 OE1 GLN A 10 -11.306 -6.566 -6.352 1.00 0.00 O ATOM 120 NE2 GLN A 10 -10.730 -8.716 -6.648 1.00 0.00 N ATOM 0 H GLN A 10 -12.802 -7.685 -11.444 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.393 -8.176 -8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.812 -6.088 -10.109 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.390 -5.765 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.792 -8.259 -9.085 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.990 -6.723 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.475 -9.456 -7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.782 -8.914 -5.649 1.00 0.00 H new ATOM 129 N LYS A 11 -15.392 -6.726 -8.439 1.00 0.00 N ATOM 130 CA LYS A 11 -16.643 -5.980 -8.379 1.00 0.00 C ATOM 131 C LYS A 11 -16.469 -4.578 -8.952 1.00 0.00 C ATOM 132 O LYS A 11 -15.358 -4.051 -9.001 1.00 0.00 O ATOM 133 CB LYS A 11 -17.140 -5.895 -6.934 1.00 0.00 C ATOM 134 CG LYS A 11 -17.355 -7.250 -6.283 1.00 0.00 C ATOM 135 CD LYS A 11 -18.014 -7.116 -4.920 1.00 0.00 C ATOM 136 CE LYS A 11 -19.530 -7.076 -5.037 1.00 0.00 C ATOM 137 NZ LYS A 11 -20.086 -8.376 -5.503 1.00 0.00 N ATOM 0 H LYS A 11 -15.207 -7.305 -7.620 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.382 -6.509 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.420 -5.328 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.077 -5.339 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.976 -7.870 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.397 -7.760 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.719 -7.953 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.661 -6.208 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.962 -6.823 -4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.820 -6.288 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.076 -8.461 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.042 -8.420 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.530 -9.156 -5.099 1.00 0.00 H new ATOM 151 N ILE A 12 -17.574 -3.978 -9.382 1.00 0.00 N ATOM 152 CA ILE A 12 -17.543 -2.635 -9.949 1.00 0.00 C ATOM 153 C ILE A 12 -18.390 -1.671 -9.125 1.00 0.00 C ATOM 154 O ILE A 12 -18.014 -0.516 -8.921 1.00 0.00 O ATOM 155 CB ILE A 12 -18.046 -2.627 -11.405 1.00 0.00 C ATOM 156 CG1 ILE A 12 -17.942 -1.219 -11.995 1.00 0.00 C ATOM 157 CG2 ILE A 12 -19.479 -3.132 -11.473 1.00 0.00 C ATOM 158 CD1 ILE A 12 -16.526 -0.807 -12.329 1.00 0.00 C ATOM 0 H ILE A 12 -18.502 -4.400 -9.349 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.503 -2.308 -9.931 1.00 0.00 H new ATOM 0 HB ILE A 12 -17.418 -3.295 -11.995 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -18.550 -1.167 -12.898 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -18.362 -0.505 -11.287 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -19.820 -3.120 -12.508 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -19.525 -4.150 -11.087 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -20.121 -2.488 -10.872 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -16.528 0.201 -12.743 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -15.918 -0.827 -11.424 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -16.109 -1.498 -13.061 1.00 0.00 H new ATOM 170 N HIS A 13 -19.535 -2.153 -8.652 1.00 0.00 N ATOM 171 CA HIS A 13 -20.435 -1.335 -7.847 1.00 0.00 C ATOM 172 C HIS A 13 -20.041 -1.382 -6.374 1.00 0.00 C ATOM 173 O HIS A 13 -20.895 -1.523 -5.497 1.00 0.00 O ATOM 174 CB HIS A 13 -21.878 -1.808 -8.017 1.00 0.00 C ATOM 175 CG HIS A 13 -22.020 -3.299 -8.047 1.00 0.00 C ATOM 176 ND1 HIS A 13 -21.712 -4.106 -6.972 1.00 0.00 N ATOM 177 CD2 HIS A 13 -22.441 -4.129 -9.029 1.00 0.00 C ATOM 178 CE1 HIS A 13 -21.936 -5.368 -7.292 1.00 0.00 C ATOM 179 NE2 HIS A 13 -22.380 -5.409 -8.536 1.00 0.00 N ATOM 0 H HIS A 13 -19.861 -3.106 -8.812 1.00 0.00 H new ATOM 0 HA HIS A 13 -20.356 -0.304 -8.193 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -22.481 -1.410 -7.200 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -22.281 -1.394 -8.941 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -21.365 -3.779 -6.070 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -22.765 -3.839 -10.017 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -21.782 -6.221 -6.647 1.00 0.00 H new ATOM 187 N LEU A 14 -18.745 -1.264 -6.109 1.00 0.00 N ATOM 188 CA LEU A 14 -18.238 -1.294 -4.741 1.00 0.00 C ATOM 189 C LEU A 14 -17.757 0.087 -4.308 1.00 0.00 C ATOM 190 O LEU A 14 -17.960 0.496 -3.166 1.00 0.00 O ATOM 191 CB LEU A 14 -17.096 -2.305 -4.622 1.00 0.00 C ATOM 192 CG LEU A 14 -15.741 -1.855 -5.171 1.00 0.00 C ATOM 193 CD1 LEU A 14 -14.972 -1.072 -4.119 1.00 0.00 C ATOM 194 CD2 LEU A 14 -14.933 -3.054 -5.644 1.00 0.00 C ATOM 0 H LEU A 14 -18.026 -1.147 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 14 -19.053 -1.597 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.972 -2.561 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.390 -3.218 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.915 -1.200 -6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.011 -0.760 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.546 -0.192 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.807 -1.702 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.972 -2.715 -6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.768 -3.734 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.479 -3.573 -6.432 1.00 0.00 H new ATOM 206 N GLY A 15 -17.121 0.803 -5.230 1.00 0.00 N ATOM 207 CA GLY A 15 -16.623 2.131 -4.925 1.00 0.00 C ATOM 208 C GLY A 15 -15.921 2.773 -6.106 1.00 0.00 C ATOM 209 O GLY A 15 -14.885 2.286 -6.559 1.00 0.00 O ATOM 0 H GLY A 15 -16.942 0.487 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.453 2.764 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.932 2.072 -4.084 1.00 0.00 H new ATOM 213 N ASP A 16 -16.486 3.866 -6.605 1.00 0.00 N ATOM 214 CA ASP A 16 -15.907 4.575 -7.741 1.00 0.00 C ATOM 215 C ASP A 16 -14.536 5.141 -7.387 1.00 0.00 C ATOM 216 O ASP A 16 -13.534 4.809 -8.020 1.00 0.00 O ATOM 217 CB ASP A 16 -16.837 5.702 -8.193 1.00 0.00 C ATOM 218 CG ASP A 16 -17.955 5.206 -9.088 1.00 0.00 C ATOM 219 OD1 ASP A 16 -17.658 4.494 -10.070 1.00 0.00 O ATOM 220 OD2 ASP A 16 -19.128 5.530 -8.808 1.00 0.00 O ATOM 0 H ASP A 16 -17.344 4.281 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 16 -15.786 3.864 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.266 6.189 -7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.257 6.456 -8.725 1.00 0.00 H new ATOM 225 N ARG A 17 -14.499 5.998 -6.371 1.00 0.00 N ATOM 226 CA ARG A 17 -13.251 6.612 -5.935 1.00 0.00 C ATOM 227 C ARG A 17 -12.106 5.604 -5.973 1.00 0.00 C ATOM 228 O ARG A 17 -11.044 5.878 -6.531 1.00 0.00 O ATOM 229 CB ARG A 17 -13.402 7.175 -4.520 1.00 0.00 C ATOM 230 CG ARG A 17 -14.463 8.257 -4.405 1.00 0.00 C ATOM 231 CD ARG A 17 -14.205 9.166 -3.213 1.00 0.00 C ATOM 232 NE ARG A 17 -15.392 9.929 -2.840 1.00 0.00 N ATOM 233 CZ ARG A 17 -15.357 11.017 -2.078 1.00 0.00 C ATOM 234 NH1 ARG A 17 -14.200 11.467 -1.612 1.00 0.00 N ATOM 235 NH2 ARG A 17 -16.481 11.657 -1.781 1.00 0.00 N ATOM 0 H ARG A 17 -15.319 6.282 -5.835 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.018 7.427 -6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.650 6.361 -3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.444 7.581 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.480 8.850 -5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.446 7.796 -4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.878 8.566 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.392 9.853 -3.450 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.298 9.610 -3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.334 10.978 -1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.176 12.302 -1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.373 11.314 -2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.453 12.492 -1.196 1.00 0.00 H new ATOM 249 N SER A 18 -12.331 4.438 -5.377 1.00 0.00 N ATOM 250 CA SER A 18 -11.317 3.391 -5.339 1.00 0.00 C ATOM 251 C SER A 18 -10.624 3.257 -6.691 1.00 0.00 C ATOM 252 O SER A 18 -11.278 3.135 -7.726 1.00 0.00 O ATOM 253 CB SER A 18 -11.949 2.055 -4.942 1.00 0.00 C ATOM 254 OG SER A 18 -12.630 2.160 -3.704 1.00 0.00 O ATOM 0 H SER A 18 -13.206 4.194 -4.914 1.00 0.00 H new ATOM 0 HA SER A 18 -10.571 3.668 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.645 1.734 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.176 1.290 -4.871 1.00 0.00 H new ATOM 0 HG SER A 18 -13.026 1.294 -3.474 1.00 0.00 H new ATOM 260 N GLN A 19 -9.295 3.281 -6.672 1.00 0.00 N ATOM 261 CA GLN A 19 -8.512 3.164 -7.897 1.00 0.00 C ATOM 262 C GLN A 19 -7.634 1.917 -7.864 1.00 0.00 C ATOM 263 O GLN A 19 -7.245 1.446 -6.795 1.00 0.00 O ATOM 264 CB GLN A 19 -7.644 4.408 -8.094 1.00 0.00 C ATOM 265 CG GLN A 19 -7.062 4.529 -9.493 1.00 0.00 C ATOM 266 CD GLN A 19 -8.116 4.839 -10.538 1.00 0.00 C ATOM 267 OE1 GLN A 19 -8.643 5.950 -10.594 1.00 0.00 O ATOM 268 NE2 GLN A 19 -8.428 3.855 -11.374 1.00 0.00 N ATOM 0 H GLN A 19 -8.738 3.380 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.205 3.077 -8.734 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.241 5.295 -7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.829 4.390 -7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.306 5.314 -9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.559 3.598 -9.755 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.966 2.950 -11.291 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.130 4.005 -12.099 1.00 0.00 H new ATOM 277 N LYS A 20 -7.326 1.386 -9.042 1.00 0.00 N ATOM 278 CA LYS A 20 -6.493 0.193 -9.150 1.00 0.00 C ATOM 279 C LYS A 20 -5.060 0.563 -9.518 1.00 0.00 C ATOM 280 O LYS A 20 -4.773 0.918 -10.661 1.00 0.00 O ATOM 281 CB LYS A 20 -7.069 -0.763 -10.196 1.00 0.00 C ATOM 282 CG LYS A 20 -6.480 -2.162 -10.132 1.00 0.00 C ATOM 283 CD LYS A 20 -7.116 -3.083 -11.159 1.00 0.00 C ATOM 284 CE LYS A 20 -6.560 -4.495 -11.061 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.719 -5.244 -12.339 1.00 0.00 N ATOM 0 H LYS A 20 -7.641 1.763 -9.936 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.484 -0.303 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.149 -0.826 -10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.894 -0.349 -11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.405 -2.113 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.626 -2.574 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.196 -3.105 -11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.940 -2.690 -12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.504 -4.452 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.069 -5.031 -10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.328 -6.202 -12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.728 -5.308 -12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.212 -4.746 -13.098 1.00 0.00 H new ATOM 299 N CYS A 21 -4.162 0.474 -8.542 1.00 0.00 N ATOM 300 CA CYS A 21 -2.758 0.798 -8.763 1.00 0.00 C ATOM 301 C CYS A 21 -2.256 0.180 -10.065 1.00 0.00 C ATOM 302 O CYS A 21 -2.832 -0.783 -10.571 1.00 0.00 O ATOM 303 CB CYS A 21 -1.908 0.303 -7.591 1.00 0.00 C ATOM 304 SG CYS A 21 -0.141 0.723 -7.724 1.00 0.00 S ATOM 0 H CYS A 21 -4.382 0.180 -7.590 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.668 1.882 -8.836 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.302 0.725 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.008 -0.780 -7.515 1.00 0.00 H new ATOM 309 N SER A 22 -1.177 0.742 -10.603 1.00 0.00 N ATOM 310 CA SER A 22 -0.599 0.250 -11.848 1.00 0.00 C ATOM 311 C SER A 22 0.699 -0.506 -11.582 1.00 0.00 C ATOM 312 O SER A 22 1.021 -1.473 -12.272 1.00 0.00 O ATOM 313 CB SER A 22 -0.339 1.412 -12.809 1.00 0.00 C ATOM 314 OG SER A 22 -0.116 0.943 -14.127 1.00 0.00 O ATOM 0 H SER A 22 -0.686 1.538 -10.196 1.00 0.00 H new ATOM 0 HA SER A 22 -1.312 -0.436 -12.305 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.191 2.092 -12.801 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.527 1.981 -12.471 1.00 0.00 H new ATOM 0 HG SER A 22 0.046 1.705 -14.722 1.00 0.00 H new ATOM 320 N LYS A 23 1.443 -0.056 -10.577 1.00 0.00 N ATOM 321 CA LYS A 23 2.707 -0.688 -10.217 1.00 0.00 C ATOM 322 C LYS A 23 2.483 -2.123 -9.749 1.00 0.00 C ATOM 323 O LYS A 23 2.979 -3.070 -10.360 1.00 0.00 O ATOM 324 CB LYS A 23 3.407 0.115 -9.119 1.00 0.00 C ATOM 325 CG LYS A 23 4.642 -0.570 -8.558 1.00 0.00 C ATOM 326 CD LYS A 23 5.894 -0.177 -9.324 1.00 0.00 C ATOM 327 CE LYS A 23 7.081 -1.045 -8.934 1.00 0.00 C ATOM 328 NZ LYS A 23 8.129 -1.058 -9.992 1.00 0.00 N ATOM 0 H LYS A 23 1.192 0.745 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 23 3.341 -0.708 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.691 1.089 -9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.702 0.296 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.760 -0.306 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.511 -1.651 -8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.711 -0.269 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.128 0.870 -9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.510 -0.676 -8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.741 -2.063 -8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.921 -1.660 -9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.727 -1.433 -10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.472 -0.090 -10.153 1.00 0.00 H new ATOM 342 N CYS A 24 1.734 -2.276 -8.663 1.00 0.00 N ATOM 343 CA CYS A 24 1.443 -3.595 -8.113 1.00 0.00 C ATOM 344 C CYS A 24 0.081 -4.093 -8.586 1.00 0.00 C ATOM 345 O CYS A 24 -0.073 -5.258 -8.952 1.00 0.00 O ATOM 346 CB CYS A 24 1.481 -3.552 -6.584 1.00 0.00 C ATOM 347 SG CYS A 24 0.103 -2.627 -5.832 1.00 0.00 S ATOM 0 H CYS A 24 1.317 -1.502 -8.145 1.00 0.00 H new ATOM 0 HA CYS A 24 2.206 -4.287 -8.469 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.471 -4.573 -6.202 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.422 -3.103 -6.267 1.00 0.00 H new ATOM 352 N GLY A 25 -0.906 -3.202 -8.575 1.00 0.00 N ATOM 353 CA GLY A 25 -2.242 -3.570 -9.005 1.00 0.00 C ATOM 354 C GLY A 25 -3.173 -3.838 -7.840 1.00 0.00 C ATOM 355 O GLY A 25 -4.072 -4.674 -7.934 1.00 0.00 O ATOM 0 H GLY A 25 -0.804 -2.232 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.655 -2.771 -9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.186 -4.459 -9.633 1.00 0.00 H new ATOM 359 N ILE A 26 -2.958 -3.127 -6.737 1.00 0.00 N ATOM 360 CA ILE A 26 -3.785 -3.293 -5.549 1.00 0.00 C ATOM 361 C ILE A 26 -4.882 -2.236 -5.491 1.00 0.00 C ATOM 362 O ILE A 26 -4.777 -1.183 -6.120 1.00 0.00 O ATOM 363 CB ILE A 26 -2.942 -3.213 -4.262 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.742 -3.742 -3.069 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.492 -1.782 -4.011 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.957 -3.764 -1.777 1.00 0.00 C ATOM 0 H ILE A 26 -2.218 -2.431 -6.642 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.240 -4.281 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.056 -3.835 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.630 -3.124 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.087 -4.752 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.898 -1.742 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.890 -1.437 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.366 -1.139 -3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.587 -4.150 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.083 -4.405 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.635 -2.753 -1.530 1.00 0.00 H new ATOM 378 N ILE A 27 -5.934 -2.524 -4.731 1.00 0.00 N ATOM 379 CA ILE A 27 -7.049 -1.597 -4.589 1.00 0.00 C ATOM 380 C ILE A 27 -6.828 -0.646 -3.417 1.00 0.00 C ATOM 381 O ILE A 27 -6.655 -1.078 -2.277 1.00 0.00 O ATOM 382 CB ILE A 27 -8.380 -2.345 -4.384 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.676 -3.244 -5.586 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.515 -1.356 -4.164 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.965 -2.477 -6.858 1.00 0.00 C ATOM 0 H ILE A 27 -6.037 -3.392 -4.205 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.102 -1.023 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.294 -2.973 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.825 -3.904 -5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.530 -3.880 -5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.449 -1.900 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.306 -0.754 -3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.604 -0.705 -5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.166 -3.178 -7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.835 -1.838 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.103 -1.862 -7.116 1.00 0.00 H new ATOM 397 N PHE A 28 -6.837 0.651 -3.706 1.00 0.00 N ATOM 398 CA PHE A 28 -6.638 1.665 -2.676 1.00 0.00 C ATOM 399 C PHE A 28 -7.523 2.881 -2.932 1.00 0.00 C ATOM 400 O PHE A 28 -8.047 3.060 -4.032 1.00 0.00 O ATOM 401 CB PHE A 28 -5.169 2.090 -2.627 1.00 0.00 C ATOM 402 CG PHE A 28 -4.752 2.940 -3.792 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.390 2.359 -4.997 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.721 4.321 -3.683 1.00 0.00 C ATOM 405 CE1 PHE A 28 -4.006 3.138 -6.072 1.00 0.00 C ATOM 406 CE2 PHE A 28 -4.338 5.106 -4.755 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.979 4.514 -5.950 1.00 0.00 C ATOM 0 H PHE A 28 -6.980 1.025 -4.644 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.916 1.231 -1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.989 2.640 -1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.542 1.199 -2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.408 1.284 -5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.999 4.789 -2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.728 2.672 -7.006 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.320 6.181 -4.658 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.678 5.126 -6.788 1.00 0.00 H new ATOM 417 N ILE A 29 -7.686 3.712 -1.908 1.00 0.00 N ATOM 418 CA ILE A 29 -8.507 4.911 -2.022 1.00 0.00 C ATOM 419 C ILE A 29 -7.671 6.111 -2.456 1.00 0.00 C ATOM 420 O ILE A 29 -6.623 6.393 -1.875 1.00 0.00 O ATOM 421 CB ILE A 29 -9.207 5.242 -0.690 1.00 0.00 C ATOM 422 CG1 ILE A 29 -10.111 4.085 -0.263 1.00 0.00 C ATOM 423 CG2 ILE A 29 -10.009 6.529 -0.819 1.00 0.00 C ATOM 424 CD1 ILE A 29 -11.016 3.585 -1.367 1.00 0.00 C ATOM 0 H ILE A 29 -7.261 3.577 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.263 4.705 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.447 5.386 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.491 3.261 0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.723 4.405 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.498 6.750 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.341 7.349 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.763 6.411 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.628 2.765 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.662 4.396 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.411 3.234 -2.203 1.00 0.00 H new ATOM 436 N ARG A 30 -8.143 6.815 -3.479 1.00 0.00 N ATOM 437 CA ARG A 30 -7.440 7.985 -3.991 1.00 0.00 C ATOM 438 C ARG A 30 -8.222 9.261 -3.696 1.00 0.00 C ATOM 439 O ARG A 30 -9.422 9.217 -3.424 1.00 0.00 O ATOM 440 CB ARG A 30 -7.212 7.851 -5.498 1.00 0.00 C ATOM 441 CG ARG A 30 -8.482 7.991 -6.321 1.00 0.00 C ATOM 442 CD ARG A 30 -8.722 9.435 -6.733 1.00 0.00 C ATOM 443 NE ARG A 30 -9.782 9.549 -7.732 1.00 0.00 N ATOM 444 CZ ARG A 30 -9.881 10.563 -8.585 1.00 0.00 C ATOM 445 NH1 ARG A 30 -8.989 11.543 -8.561 1.00 0.00 N ATOM 446 NH2 ARG A 30 -10.875 10.596 -9.464 1.00 0.00 N ATOM 0 H ARG A 30 -9.010 6.596 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.475 8.046 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.497 8.609 -5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.761 6.880 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.412 7.365 -7.210 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.333 7.630 -5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.987 10.024 -5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.800 9.856 -7.133 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.484 8.810 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.224 11.520 -7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.067 12.320 -9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.563 9.843 -9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.951 11.374 -10.119 1.00 0.00 H new ATOM 460 N ARG A 31 -7.533 10.397 -3.750 1.00 0.00 N ATOM 461 CA ARG A 31 -8.162 11.685 -3.487 1.00 0.00 C ATOM 462 C ARG A 31 -8.227 12.528 -4.757 1.00 0.00 C ATOM 463 O ARG A 31 -7.631 12.180 -5.776 1.00 0.00 O ATOM 464 CB ARG A 31 -7.394 12.439 -2.400 1.00 0.00 C ATOM 465 CG ARG A 31 -6.065 13.004 -2.874 1.00 0.00 C ATOM 466 CD ARG A 31 -4.923 12.033 -2.615 1.00 0.00 C ATOM 467 NE ARG A 31 -4.400 12.153 -1.257 1.00 0.00 N ATOM 468 CZ ARG A 31 -3.644 13.166 -0.847 1.00 0.00 C ATOM 469 NH1 ARG A 31 -3.325 14.141 -1.687 1.00 0.00 N ATOM 470 NH2 ARG A 31 -3.207 13.205 0.405 1.00 0.00 N ATOM 0 H ARG A 31 -6.539 10.451 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.179 11.500 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.014 13.255 -2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.215 11.767 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.122 13.225 -3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.866 13.946 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.270 11.013 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.121 12.217 -3.330 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.627 11.419 -0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.660 14.114 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.745 14.918 -1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.451 12.457 1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.627 13.983 0.719 1.00 0.00 H new ATOM 484 N SER A 32 -8.955 13.638 -4.688 1.00 0.00 N ATOM 485 CA SER A 32 -9.102 14.529 -5.833 1.00 0.00 C ATOM 486 C SER A 32 -7.743 14.847 -6.452 1.00 0.00 C ATOM 487 O SER A 32 -6.698 14.545 -5.874 1.00 0.00 O ATOM 488 CB SER A 32 -9.799 15.824 -5.413 1.00 0.00 C ATOM 489 OG SER A 32 -11.206 15.708 -5.532 1.00 0.00 O ATOM 0 H SER A 32 -9.452 13.942 -3.851 1.00 0.00 H new ATOM 0 HA SER A 32 -9.713 14.022 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.537 16.064 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.445 16.648 -6.032 1.00 0.00 H new ATOM 0 HG SER A 32 -11.628 16.548 -5.256 1.00 0.00 H new ATOM 495 N THR A 33 -7.766 15.459 -7.631 1.00 0.00 N ATOM 496 CA THR A 33 -6.538 15.817 -8.330 1.00 0.00 C ATOM 497 C THR A 33 -5.946 17.108 -7.775 1.00 0.00 C ATOM 498 O THR A 33 -6.025 18.162 -8.408 1.00 0.00 O ATOM 499 CB THR A 33 -6.781 15.986 -9.842 1.00 0.00 C ATOM 500 OG1 THR A 33 -7.459 14.836 -10.360 1.00 0.00 O ATOM 501 CG2 THR A 33 -5.466 16.182 -10.582 1.00 0.00 C ATOM 0 H THR A 33 -8.622 15.717 -8.122 1.00 0.00 H new ATOM 0 HA THR A 33 -5.834 15.000 -8.171 1.00 0.00 H new ATOM 0 HB THR A 33 -7.400 16.871 -9.992 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.611 14.952 -11.321 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.662 16.299 -11.648 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.966 17.074 -10.205 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.827 15.313 -10.424 1.00 0.00 H new ATOM 509 N LEU A 34 -5.353 17.019 -6.590 1.00 0.00 N ATOM 510 CA LEU A 34 -4.746 18.181 -5.949 1.00 0.00 C ATOM 511 C LEU A 34 -3.228 18.153 -6.097 1.00 0.00 C ATOM 512 O LEU A 34 -2.632 19.073 -6.657 1.00 0.00 O ATOM 513 CB LEU A 34 -5.125 18.227 -4.468 1.00 0.00 C ATOM 514 CG LEU A 34 -5.213 19.619 -3.841 1.00 0.00 C ATOM 515 CD1 LEU A 34 -6.069 19.584 -2.584 1.00 0.00 C ATOM 516 CD2 LEU A 34 -3.823 20.151 -3.527 1.00 0.00 C ATOM 0 H LEU A 34 -5.279 16.155 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.124 19.076 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.089 17.733 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.394 17.644 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.684 20.291 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.121 20.583 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.074 19.246 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.627 18.898 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.905 21.142 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.326 19.479 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.241 20.213 -4.447 1.00 0.00 H new ATOM 528 N SER A 35 -2.609 17.090 -5.593 1.00 0.00 N ATOM 529 CA SER A 35 -1.160 16.943 -5.668 1.00 0.00 C ATOM 530 C SER A 35 -0.749 16.272 -6.975 1.00 0.00 C ATOM 531 O SER A 35 -1.596 15.842 -7.758 1.00 0.00 O ATOM 532 CB SER A 35 -0.647 16.128 -4.479 1.00 0.00 C ATOM 533 OG SER A 35 0.768 16.152 -4.418 1.00 0.00 O ATOM 0 H SER A 35 -3.088 16.318 -5.129 1.00 0.00 H new ATOM 0 HA SER A 35 -0.716 17.938 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.061 16.529 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.993 15.098 -4.563 1.00 0.00 H new ATOM 0 HG SER A 35 1.071 15.626 -3.649 1.00 0.00 H new ATOM 539 N ARG A 36 0.558 16.187 -7.203 1.00 0.00 N ATOM 540 CA ARG A 36 1.083 15.569 -8.415 1.00 0.00 C ATOM 541 C ARG A 36 1.018 14.047 -8.322 1.00 0.00 C ATOM 542 O ARG A 36 2.034 13.385 -8.105 1.00 0.00 O ATOM 543 CB ARG A 36 2.526 16.015 -8.656 1.00 0.00 C ATOM 544 CG ARG A 36 3.428 15.841 -7.445 1.00 0.00 C ATOM 545 CD ARG A 36 4.869 16.206 -7.767 1.00 0.00 C ATOM 546 NE ARG A 36 5.146 17.617 -7.515 1.00 0.00 N ATOM 547 CZ ARG A 36 5.448 18.104 -6.316 1.00 0.00 C ATOM 548 NH1 ARG A 36 5.511 17.297 -5.266 1.00 0.00 N ATOM 549 NH2 ARG A 36 5.687 19.400 -6.166 1.00 0.00 N ATOM 0 H ARG A 36 1.272 16.538 -6.565 1.00 0.00 H new ATOM 0 HA ARG A 36 0.465 15.891 -9.254 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.938 15.447 -9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.528 17.064 -8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.067 16.466 -6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.381 14.808 -7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.541 15.592 -7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.076 15.977 -8.812 1.00 0.00 H new ATOM 0 HE ARG A 36 5.106 18.264 -8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.327 16.300 -5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.743 17.673 -4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.639 20.024 -6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.919 19.773 -5.245 1.00 0.00 H new ATOM 563 N ARG A 37 -0.181 13.500 -8.487 1.00 0.00 N ATOM 564 CA ARG A 37 -0.378 12.057 -8.419 1.00 0.00 C ATOM 565 C ARG A 37 -0.817 11.504 -9.772 1.00 0.00 C ATOM 566 O ARG A 37 -1.714 10.664 -9.851 1.00 0.00 O ATOM 567 CB ARG A 37 -1.420 11.712 -7.353 1.00 0.00 C ATOM 568 CG ARG A 37 -0.878 11.759 -5.934 1.00 0.00 C ATOM 569 CD ARG A 37 -1.740 10.946 -4.981 1.00 0.00 C ATOM 570 NE ARG A 37 -1.414 9.523 -5.028 1.00 0.00 N ATOM 571 CZ ARG A 37 -2.100 8.590 -4.377 1.00 0.00 C ATOM 572 NH1 ARG A 37 -3.145 8.928 -3.633 1.00 0.00 N ATOM 573 NH2 ARG A 37 -1.742 7.316 -4.469 1.00 0.00 N ATOM 0 H ARG A 37 -1.031 14.034 -8.669 1.00 0.00 H new ATOM 0 HA ARG A 37 0.573 11.598 -8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.256 12.406 -7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.813 10.714 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.142 11.376 -5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.834 12.794 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.605 11.316 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.791 11.086 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.616 9.230 -5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.424 9.906 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.670 8.209 -3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.939 7.052 -5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.270 6.601 -3.969 1.00 0.00 H new ATOM 587 N LYS A 38 -0.180 11.982 -10.836 1.00 0.00 N ATOM 588 CA LYS A 38 -0.502 11.537 -12.186 1.00 0.00 C ATOM 589 C LYS A 38 -0.595 10.016 -12.249 1.00 0.00 C ATOM 590 O LYS A 38 -1.623 9.461 -12.640 1.00 0.00 O ATOM 591 CB LYS A 38 0.553 12.036 -13.176 1.00 0.00 C ATOM 592 CG LYS A 38 0.063 12.090 -14.612 1.00 0.00 C ATOM 593 CD LYS A 38 1.132 12.630 -15.547 1.00 0.00 C ATOM 594 CE LYS A 38 1.060 14.145 -15.660 1.00 0.00 C ATOM 595 NZ LYS A 38 0.010 14.580 -16.621 1.00 0.00 N ATOM 0 H LYS A 38 0.563 12.679 -10.789 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.471 11.955 -12.458 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.879 13.031 -12.875 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.425 11.385 -13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.233 11.092 -14.934 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.825 12.720 -14.671 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.117 12.338 -15.183 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.012 12.184 -16.534 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.854 14.573 -14.679 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.028 14.532 -15.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.007 15.619 -16.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.220 14.193 -17.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.917 14.233 -16.303 1.00 0.00 H new ATOM 609 N THR A 39 0.485 9.345 -11.862 1.00 0.00 N ATOM 610 CA THR A 39 0.525 7.888 -11.875 1.00 0.00 C ATOM 611 C THR A 39 -0.166 7.308 -10.646 1.00 0.00 C ATOM 612 O THR A 39 0.194 7.601 -9.506 1.00 0.00 O ATOM 613 CB THR A 39 1.974 7.366 -11.929 1.00 0.00 C ATOM 614 OG1 THR A 39 2.696 8.033 -12.970 1.00 0.00 O ATOM 615 CG2 THR A 39 1.999 5.864 -12.170 1.00 0.00 C ATOM 0 H THR A 39 1.344 9.788 -11.536 1.00 0.00 H new ATOM 0 HA THR A 39 -0.004 7.565 -12.772 1.00 0.00 H new ATOM 0 HB THR A 39 2.448 7.572 -10.969 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.616 7.697 -12.997 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.032 5.518 -12.204 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.473 5.357 -11.361 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.510 5.639 -13.118 1.00 0.00 H new ATOM 623 N PRO A 40 -1.182 6.464 -10.880 1.00 0.00 N ATOM 624 CA PRO A 40 -1.944 5.824 -9.804 1.00 0.00 C ATOM 625 C PRO A 40 -1.122 4.782 -9.053 1.00 0.00 C ATOM 626 O PRO A 40 -1.129 3.602 -9.404 1.00 0.00 O ATOM 627 CB PRO A 40 -3.108 5.158 -10.541 1.00 0.00 C ATOM 628 CG PRO A 40 -2.600 4.929 -11.923 1.00 0.00 C ATOM 629 CD PRO A 40 -1.664 6.069 -12.214 1.00 0.00 C ATOM 0 HA PRO A 40 -2.257 6.540 -9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.394 4.221 -10.064 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.991 5.796 -10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.084 3.972 -11.995 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.420 4.904 -12.641 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.844 5.760 -12.862 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.175 6.890 -12.716 1.00 0.00 H new ATOM 637 N MET A 41 -0.416 5.225 -8.018 1.00 0.00 N ATOM 638 CA MET A 41 0.409 4.329 -7.216 1.00 0.00 C ATOM 639 C MET A 41 -0.063 4.308 -5.766 1.00 0.00 C ATOM 640 O MET A 41 -0.195 5.354 -5.130 1.00 0.00 O ATOM 641 CB MET A 41 1.876 4.757 -7.282 1.00 0.00 C ATOM 642 CG MET A 41 2.508 4.555 -8.650 1.00 0.00 C ATOM 643 SD MET A 41 4.296 4.781 -8.629 1.00 0.00 S ATOM 644 CE MET A 41 4.842 3.124 -8.222 1.00 0.00 C ATOM 0 H MET A 41 -0.399 6.199 -7.715 1.00 0.00 H new ATOM 0 HA MET A 41 0.313 3.323 -7.625 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.951 5.809 -7.008 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.444 4.193 -6.542 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.277 3.552 -9.008 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.065 5.256 -9.358 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.536 3.166 -7.383 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.981 2.513 -7.951 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.342 2.683 -9.085 1.00 0.00 H new ATOM 654 N CYS A 42 -0.315 3.111 -5.248 1.00 0.00 N ATOM 655 CA CYS A 42 -0.773 2.953 -3.873 1.00 0.00 C ATOM 656 C CYS A 42 0.239 3.538 -2.892 1.00 0.00 C ATOM 657 O CYS A 42 1.438 3.566 -3.166 1.00 0.00 O ATOM 658 CB CYS A 42 -1.008 1.474 -3.558 1.00 0.00 C ATOM 659 SG CYS A 42 0.465 0.424 -3.777 1.00 0.00 S ATOM 0 H CYS A 42 -0.210 2.235 -5.760 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.713 3.495 -3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.356 1.383 -2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.807 1.099 -4.198 1.00 0.00 H new ATOM 664 N GLU A 43 -0.254 4.005 -1.749 1.00 0.00 N ATOM 665 CA GLU A 43 0.607 4.591 -0.729 1.00 0.00 C ATOM 666 C GLU A 43 1.897 3.788 -0.579 1.00 0.00 C ATOM 667 O GLU A 43 2.992 4.350 -0.557 1.00 0.00 O ATOM 668 CB GLU A 43 -0.125 4.654 0.613 1.00 0.00 C ATOM 669 CG GLU A 43 -0.589 3.298 1.118 1.00 0.00 C ATOM 670 CD GLU A 43 -1.593 3.409 2.250 1.00 0.00 C ATOM 671 OE1 GLU A 43 -1.550 4.418 2.985 1.00 0.00 O ATOM 672 OE2 GLU A 43 -2.422 2.487 2.399 1.00 0.00 O ATOM 0 H GLU A 43 -1.245 3.989 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 43 0.863 5.603 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.534 5.103 1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.989 5.311 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.036 2.741 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.274 2.726 1.458 1.00 0.00 H new ATOM 679 N LYS A 44 1.758 2.471 -0.476 1.00 0.00 N ATOM 680 CA LYS A 44 2.910 1.589 -0.330 1.00 0.00 C ATOM 681 C LYS A 44 3.911 1.809 -1.460 1.00 0.00 C ATOM 682 O LYS A 44 5.096 2.039 -1.217 1.00 0.00 O ATOM 683 CB LYS A 44 2.460 0.127 -0.310 1.00 0.00 C ATOM 684 CG LYS A 44 3.610 -0.864 -0.326 1.00 0.00 C ATOM 685 CD LYS A 44 4.151 -1.113 1.072 1.00 0.00 C ATOM 686 CE LYS A 44 3.268 -2.079 1.847 1.00 0.00 C ATOM 687 NZ LYS A 44 3.387 -3.472 1.335 1.00 0.00 N ATOM 0 H LYS A 44 0.858 1.990 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 44 3.399 1.825 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.855 -0.046 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.819 -0.059 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.274 -1.806 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.409 -0.486 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.162 -1.515 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.219 -0.168 1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.542 -2.055 2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.229 -1.755 1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.982 -4.133 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.872 -3.556 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.390 -3.701 1.183 1.00 0.00 H new ATOM 701 N CYS A 45 3.426 1.738 -2.695 1.00 0.00 N ATOM 702 CA CYS A 45 4.278 1.930 -3.863 1.00 0.00 C ATOM 703 C CYS A 45 4.920 3.314 -3.846 1.00 0.00 C ATOM 704 O CYS A 45 6.131 3.450 -4.018 1.00 0.00 O ATOM 705 CB CYS A 45 3.466 1.747 -5.147 1.00 0.00 C ATOM 706 SG CYS A 45 3.094 0.010 -5.551 1.00 0.00 S ATOM 0 H CYS A 45 2.448 1.549 -2.913 1.00 0.00 H new ATOM 0 HA CYS A 45 5.070 1.182 -3.832 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.529 2.296 -5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.014 2.193 -5.977 1.00 0.00 H new ATOM 711 N ARG A 46 4.099 4.338 -3.638 1.00 0.00 N ATOM 712 CA ARG A 46 4.586 5.712 -3.599 1.00 0.00 C ATOM 713 C ARG A 46 5.865 5.812 -2.773 1.00 0.00 C ATOM 714 O ARG A 46 6.777 6.568 -3.110 1.00 0.00 O ATOM 715 CB ARG A 46 3.517 6.639 -3.018 1.00 0.00 C ATOM 716 CG ARG A 46 2.281 6.767 -3.894 1.00 0.00 C ATOM 717 CD ARG A 46 1.552 8.078 -3.640 1.00 0.00 C ATOM 718 NE ARG A 46 0.684 8.003 -2.469 1.00 0.00 N ATOM 719 CZ ARG A 46 0.293 9.065 -1.774 1.00 0.00 C ATOM 720 NH1 ARG A 46 0.691 10.278 -2.132 1.00 0.00 N ATOM 721 NH2 ARG A 46 -0.498 8.916 -0.719 1.00 0.00 N ATOM 0 H ARG A 46 3.094 4.242 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 46 4.808 6.021 -4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.220 6.268 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.949 7.628 -2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.570 6.707 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.608 5.932 -3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.280 8.877 -3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.958 8.338 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 46 0.360 7.084 -2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.299 10.397 -2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.390 11.092 -1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.807 7.985 -0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.797 9.733 -0.186 1.00 0.00 H new ATOM 735 N LYS A 47 5.925 5.046 -1.689 1.00 0.00 N ATOM 736 CA LYS A 47 7.091 5.047 -0.814 1.00 0.00 C ATOM 737 C LYS A 47 8.287 4.397 -1.501 1.00 0.00 C ATOM 738 O LYS A 47 9.424 4.844 -1.345 1.00 0.00 O ATOM 739 CB LYS A 47 6.776 4.311 0.490 1.00 0.00 C ATOM 740 CG LYS A 47 5.491 4.774 1.154 1.00 0.00 C ATOM 741 CD LYS A 47 5.749 5.893 2.149 1.00 0.00 C ATOM 742 CE LYS A 47 6.013 5.349 3.545 1.00 0.00 C ATOM 743 NZ LYS A 47 4.759 5.227 4.339 1.00 0.00 N ATOM 0 H LYS A 47 5.179 4.416 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 47 7.343 6.083 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.705 3.242 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.604 4.449 1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.790 5.117 0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.021 3.933 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.604 6.484 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.890 6.563 2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.492 4.373 3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.710 6.006 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.981 4.853 5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.315 6.163 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.104 4.580 3.856 1.00 0.00 H new ATOM 757 N ASP A 48 8.024 3.340 -2.263 1.00 0.00 N ATOM 758 CA ASP A 48 9.079 2.630 -2.976 1.00 0.00 C ATOM 759 C ASP A 48 9.391 3.312 -4.304 1.00 0.00 C ATOM 760 O ASP A 48 9.613 2.648 -5.317 1.00 0.00 O ATOM 761 CB ASP A 48 8.671 1.176 -3.218 1.00 0.00 C ATOM 762 CG ASP A 48 9.104 0.258 -2.093 1.00 0.00 C ATOM 763 OD1 ASP A 48 9.048 0.687 -0.921 1.00 0.00 O ATOM 764 OD2 ASP A 48 9.499 -0.891 -2.383 1.00 0.00 O ATOM 0 H ASP A 48 7.089 2.957 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 48 9.977 2.649 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.588 1.120 -3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.109 0.830 -4.154 1.00 0.00 H new ATOM 769 N SER A 49 9.405 4.641 -4.293 1.00 0.00 N ATOM 770 CA SER A 49 9.685 5.413 -5.498 1.00 0.00 C ATOM 771 C SER A 49 11.094 5.996 -5.454 1.00 0.00 C ATOM 772 O SER A 49 11.315 7.145 -5.840 1.00 0.00 O ATOM 773 CB SER A 49 8.660 6.538 -5.658 1.00 0.00 C ATOM 774 OG SER A 49 8.457 6.851 -7.025 1.00 0.00 O ATOM 0 H SER A 49 9.226 5.206 -3.463 1.00 0.00 H new ATOM 0 HA SER A 49 9.614 4.742 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.714 6.240 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.003 7.425 -5.125 1.00 0.00 H new ATOM 0 HG SER A 49 7.797 7.571 -7.101 1.00 0.00 H new ATOM 780 N CYS A 50 12.044 5.197 -4.981 1.00 0.00 N ATOM 781 CA CYS A 50 13.433 5.633 -4.886 1.00 0.00 C ATOM 782 C CYS A 50 14.226 5.193 -6.112 1.00 0.00 C ATOM 783 O CYS A 50 14.937 4.189 -6.075 1.00 0.00 O ATOM 784 CB CYS A 50 14.079 5.073 -3.617 1.00 0.00 C ATOM 785 SG CYS A 50 13.552 5.897 -2.096 1.00 0.00 S ATOM 0 H CYS A 50 11.878 4.244 -4.657 1.00 0.00 H new ATOM 0 HA CYS A 50 13.444 6.722 -4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 50 13.846 4.011 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.162 5.156 -3.706 1.00 0.00 H new ATOM 0 HG CYS A 50 14.150 5.353 -1.078 1.00 0.00 H new ATOM 791 N GLN A 51 14.098 5.951 -7.196 1.00 0.00 N ATOM 792 CA GLN A 51 14.802 5.637 -8.434 1.00 0.00 C ATOM 793 C GLN A 51 16.233 6.162 -8.395 1.00 0.00 C ATOM 794 O GLN A 51 17.189 5.393 -8.496 1.00 0.00 O ATOM 795 CB GLN A 51 14.060 6.232 -9.632 1.00 0.00 C ATOM 796 CG GLN A 51 14.449 5.604 -10.961 1.00 0.00 C ATOM 797 CD GLN A 51 14.097 4.132 -11.036 1.00 0.00 C ATOM 798 OE1 GLN A 51 12.949 3.768 -11.294 1.00 0.00 O ATOM 799 NE2 GLN A 51 15.086 3.275 -10.812 1.00 0.00 N ATOM 0 H GLN A 51 13.514 6.786 -7.242 1.00 0.00 H new ATOM 0 HA GLN A 51 14.836 4.553 -8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.987 6.110 -9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 51 14.256 7.303 -9.675 1.00 0.00 H new ATOM 0 HG2 GLN A 51 13.948 6.135 -11.770 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.521 5.726 -11.116 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.022 3.620 -10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.909 2.271 -10.850 1.00 0.00 H new ATOM 808 N GLU A 52 16.372 7.476 -8.248 1.00 0.00 N ATOM 809 CA GLU A 52 17.687 8.103 -8.197 1.00 0.00 C ATOM 810 C GLU A 52 17.902 8.810 -6.862 1.00 0.00 C ATOM 811 O GLU A 52 18.474 9.898 -6.808 1.00 0.00 O ATOM 812 CB GLU A 52 17.846 9.101 -9.346 1.00 0.00 C ATOM 813 CG GLU A 52 18.019 8.443 -10.704 1.00 0.00 C ATOM 814 CD GLU A 52 19.471 8.159 -11.035 1.00 0.00 C ATOM 815 OE1 GLU A 52 20.354 8.815 -10.443 1.00 0.00 O ATOM 816 OE2 GLU A 52 19.725 7.280 -11.885 1.00 0.00 O ATOM 0 H GLU A 52 15.591 8.126 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 52 18.438 7.320 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.971 9.751 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.709 9.737 -9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.456 7.510 -10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.595 9.089 -11.473 1.00 0.00 H new ATOM 823 N ALA A 53 17.438 8.183 -5.786 1.00 0.00 N ATOM 824 CA ALA A 53 17.579 8.750 -4.450 1.00 0.00 C ATOM 825 C ALA A 53 17.472 10.270 -4.485 1.00 0.00 C ATOM 826 O ALA A 53 18.217 10.970 -3.801 1.00 0.00 O ATOM 827 CB ALA A 53 18.905 8.326 -3.835 1.00 0.00 C ATOM 0 H ALA A 53 16.961 7.282 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 53 16.766 8.369 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.998 8.756 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.943 7.239 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 53 19.725 8.679 -4.460 1.00 0.00 H new ATOM 833 N ALA A 54 16.540 10.775 -5.288 1.00 0.00 N ATOM 834 CA ALA A 54 16.335 12.213 -5.411 1.00 0.00 C ATOM 835 C ALA A 54 14.994 12.628 -4.816 1.00 0.00 C ATOM 836 O ALA A 54 14.133 11.788 -4.551 1.00 0.00 O ATOM 837 CB ALA A 54 16.421 12.635 -6.870 1.00 0.00 C ATOM 0 H ALA A 54 15.915 10.209 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 54 17.123 12.717 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.266 13.711 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 54 17.405 12.381 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.654 12.116 -7.445 1.00 0.00 H new ATOM 843 N LEU A 55 14.822 13.929 -4.607 1.00 0.00 N ATOM 844 CA LEU A 55 13.585 14.457 -4.042 1.00 0.00 C ATOM 845 C LEU A 55 12.536 14.666 -5.129 1.00 0.00 C ATOM 846 O LEU A 55 11.416 14.166 -5.030 1.00 0.00 O ATOM 847 CB LEU A 55 13.855 15.776 -3.317 1.00 0.00 C ATOM 848 CG LEU A 55 12.633 16.475 -2.718 1.00 0.00 C ATOM 849 CD1 LEU A 55 12.261 15.848 -1.384 1.00 0.00 C ATOM 850 CD2 LEU A 55 12.898 17.964 -2.555 1.00 0.00 C ATOM 0 H LEU A 55 15.524 14.638 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 55 13.201 13.729 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.570 15.588 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.334 16.461 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 55 11.794 16.349 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.390 16.358 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.029 14.793 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.097 15.943 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.018 18.445 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.750 18.111 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.115 18.404 -3.528 1.00 0.00 H new ATOM 862 N ASN A 56 12.908 15.407 -6.169 1.00 0.00 N ATOM 863 CA ASN A 56 11.999 15.681 -7.276 1.00 0.00 C ATOM 864 C ASN A 56 12.722 16.408 -8.406 1.00 0.00 C ATOM 865 O ASN A 56 13.720 17.093 -8.180 1.00 0.00 O ATOM 866 CB ASN A 56 10.812 16.517 -6.794 1.00 0.00 C ATOM 867 CG ASN A 56 11.231 17.624 -5.847 1.00 0.00 C ATOM 868 OD1 ASN A 56 12.377 18.075 -5.870 1.00 0.00 O ATOM 869 ND2 ASN A 56 10.303 18.068 -5.007 1.00 0.00 N ATOM 0 H ASN A 56 13.832 15.828 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 56 11.632 14.728 -7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.304 16.952 -7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.093 15.868 -6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.527 18.812 -4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.366 17.665 -5.023 1.00 0.00 H new ATOM 876 N LYS A 57 12.212 16.254 -9.623 1.00 0.00 N ATOM 877 CA LYS A 57 12.806 16.896 -10.789 1.00 0.00 C ATOM 878 C LYS A 57 11.750 17.648 -11.593 1.00 0.00 C ATOM 879 O LYS A 57 12.023 18.710 -12.153 1.00 0.00 O ATOM 880 CB LYS A 57 13.492 15.855 -11.676 1.00 0.00 C ATOM 881 CG LYS A 57 12.566 14.741 -12.135 1.00 0.00 C ATOM 882 CD LYS A 57 13.206 13.897 -13.224 1.00 0.00 C ATOM 883 CE LYS A 57 12.998 14.510 -14.600 1.00 0.00 C ATOM 884 NZ LYS A 57 12.966 13.474 -15.669 1.00 0.00 N ATOM 0 H LYS A 57 11.388 15.689 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 57 13.549 17.612 -10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.908 16.354 -12.551 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.328 15.419 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.309 14.107 -11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.635 15.170 -12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.273 13.796 -13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.782 12.893 -13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.064 15.071 -14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.799 15.220 -14.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.823 13.932 -16.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.867 12.955 -15.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.186 12.811 -15.486 1.00 0.00 H new ATOM 898 N ASP A 58 10.545 17.092 -11.644 1.00 0.00 N ATOM 899 CA ASP A 58 9.448 17.712 -12.378 1.00 0.00 C ATOM 900 C ASP A 58 9.175 19.120 -11.859 1.00 0.00 C ATOM 901 O ASP A 58 9.004 20.056 -12.640 1.00 0.00 O ATOM 902 CB ASP A 58 8.183 16.859 -12.263 1.00 0.00 C ATOM 903 CG ASP A 58 8.201 15.668 -13.201 1.00 0.00 C ATOM 904 OD1 ASP A 58 9.098 14.812 -13.057 1.00 0.00 O ATOM 905 OD2 ASP A 58 7.316 15.593 -14.079 1.00 0.00 O ATOM 0 H ASP A 58 10.303 16.213 -11.186 1.00 0.00 H new ATOM 0 HA ASP A 58 9.737 17.780 -13.427 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.077 16.508 -11.237 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.311 17.476 -12.480 1.00 0.00 H new ATOM 910 N GLU A 59 9.135 19.262 -10.538 1.00 0.00 N ATOM 911 CA GLU A 59 8.881 20.556 -9.917 1.00 0.00 C ATOM 912 C GLU A 59 9.939 20.871 -8.863 1.00 0.00 C ATOM 913 O GLU A 59 10.764 20.024 -8.524 1.00 0.00 O ATOM 914 CB GLU A 59 7.490 20.577 -9.280 1.00 0.00 C ATOM 915 CG GLU A 59 6.360 20.391 -10.278 1.00 0.00 C ATOM 916 CD GLU A 59 6.353 21.458 -11.356 1.00 0.00 C ATOM 917 OE1 GLU A 59 5.841 22.566 -11.092 1.00 0.00 O ATOM 918 OE2 GLU A 59 6.861 21.184 -12.464 1.00 0.00 O ATOM 0 H GLU A 59 9.275 18.497 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 59 8.929 21.318 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.432 19.790 -8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.352 21.525 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.449 19.410 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.407 20.407 -9.749 1.00 0.00 H new ATOM 925 N GLY A 60 9.909 22.098 -8.350 1.00 0.00 N ATOM 926 CA GLY A 60 10.870 22.504 -7.342 1.00 0.00 C ATOM 927 C GLY A 60 11.811 23.583 -7.840 1.00 0.00 C ATOM 928 O GLY A 60 12.750 23.302 -8.583 1.00 0.00 O ATOM 0 H GLY A 60 9.236 22.817 -8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.338 22.867 -6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.450 21.637 -7.027 1.00 0.00 H new ATOM 932 N ASN A 61 11.559 24.822 -7.430 1.00 0.00 N ATOM 933 CA ASN A 61 12.389 25.948 -7.841 1.00 0.00 C ATOM 934 C ASN A 61 12.788 26.798 -6.638 1.00 0.00 C ATOM 935 O ASN A 61 13.943 27.202 -6.507 1.00 0.00 O ATOM 936 CB ASN A 61 11.647 26.809 -8.865 1.00 0.00 C ATOM 937 CG ASN A 61 10.495 27.577 -8.248 1.00 0.00 C ATOM 938 OD1 ASN A 61 10.675 28.678 -7.727 1.00 0.00 O ATOM 939 ND2 ASN A 61 9.301 26.997 -8.303 1.00 0.00 N ATOM 0 H ASN A 61 10.786 25.071 -6.813 1.00 0.00 H new ATOM 0 HA ASN A 61 13.295 25.551 -8.299 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.346 27.511 -9.320 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.269 26.172 -9.665 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.488 27.465 -7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.198 26.083 -8.745 1.00 0.00 H new ATOM 946 N GLU A 62 11.823 27.064 -5.763 1.00 0.00 N ATOM 947 CA GLU A 62 12.074 27.866 -4.571 1.00 0.00 C ATOM 948 C GLU A 62 10.976 27.655 -3.533 1.00 0.00 C ATOM 949 O GLU A 62 9.835 27.344 -3.874 1.00 0.00 O ATOM 950 CB GLU A 62 12.166 29.349 -4.938 1.00 0.00 C ATOM 951 CG GLU A 62 13.030 30.158 -3.985 1.00 0.00 C ATOM 952 CD GLU A 62 14.417 29.570 -3.812 1.00 0.00 C ATOM 953 OE1 GLU A 62 14.898 28.901 -4.751 1.00 0.00 O ATOM 954 OE2 GLU A 62 15.020 29.777 -2.739 1.00 0.00 O ATOM 0 H GLU A 62 10.862 26.736 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 62 13.023 27.546 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.568 29.441 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.162 29.774 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.116 31.179 -4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.539 30.213 -3.013 1.00 0.00 H new ATOM 961 N SER A 63 11.330 27.826 -2.263 1.00 0.00 N ATOM 962 CA SER A 63 10.377 27.650 -1.173 1.00 0.00 C ATOM 963 C SER A 63 9.508 28.892 -1.006 1.00 0.00 C ATOM 964 O SER A 63 9.982 30.019 -1.143 1.00 0.00 O ATOM 965 CB SER A 63 11.114 27.349 0.133 1.00 0.00 C ATOM 966 OG SER A 63 11.699 28.523 0.670 1.00 0.00 O ATOM 0 H SER A 63 12.270 28.086 -1.964 1.00 0.00 H new ATOM 0 HA SER A 63 9.731 26.807 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.419 26.921 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.888 26.602 -0.046 1.00 0.00 H new ATOM 0 HG SER A 63 12.163 28.305 1.505 1.00 0.00 H new ATOM 972 N GLY A 64 8.230 28.677 -0.708 1.00 0.00 N ATOM 973 CA GLY A 64 7.313 29.788 -0.527 1.00 0.00 C ATOM 974 C GLY A 64 5.868 29.390 -0.753 1.00 0.00 C ATOM 975 O GLY A 64 4.986 29.759 0.022 1.00 0.00 O ATOM 0 H GLY A 64 7.813 27.754 -0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.424 30.186 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.578 30.590 -1.216 1.00 0.00 H new ATOM 979 N LYS A 65 5.624 28.635 -1.819 1.00 0.00 N ATOM 980 CA LYS A 65 4.276 28.186 -2.146 1.00 0.00 C ATOM 981 C LYS A 65 4.004 26.805 -1.558 1.00 0.00 C ATOM 982 O LYS A 65 4.905 26.159 -1.022 1.00 0.00 O ATOM 983 CB LYS A 65 4.081 28.153 -3.664 1.00 0.00 C ATOM 984 CG LYS A 65 4.079 29.529 -4.307 1.00 0.00 C ATOM 985 CD LYS A 65 2.814 30.300 -3.970 1.00 0.00 C ATOM 986 CE LYS A 65 1.631 29.819 -4.797 1.00 0.00 C ATOM 987 NZ LYS A 65 0.338 30.330 -4.265 1.00 0.00 N ATOM 0 H LYS A 65 6.343 28.321 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 65 3.570 28.892 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.874 27.554 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.139 27.654 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.950 30.091 -3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.166 29.426 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.589 30.186 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.976 31.363 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.753 30.146 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.614 28.729 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.443 29.980 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.209 29.998 -3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.344 31.370 -4.279 1.00 0.00 H new ATOM 1001 N LYS A 66 2.758 26.356 -1.664 1.00 0.00 N ATOM 1002 CA LYS A 66 2.368 25.050 -1.146 1.00 0.00 C ATOM 1003 C LYS A 66 3.422 23.998 -1.474 1.00 0.00 C ATOM 1004 O LYS A 66 3.764 23.164 -0.635 1.00 0.00 O ATOM 1005 CB LYS A 66 1.016 24.631 -1.727 1.00 0.00 C ATOM 1006 CG LYS A 66 1.023 24.483 -3.239 1.00 0.00 C ATOM 1007 CD LYS A 66 -0.345 24.772 -3.834 1.00 0.00 C ATOM 1008 CE LYS A 66 -1.324 23.642 -3.554 1.00 0.00 C ATOM 1009 NZ LYS A 66 -2.737 24.071 -3.748 1.00 0.00 N ATOM 0 H LYS A 66 2.000 26.878 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 66 2.282 25.128 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.715 23.684 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.265 25.369 -1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.759 25.163 -3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.330 23.472 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.734 25.703 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.252 24.916 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.106 22.801 -4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.189 23.289 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.373 23.273 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.953 24.857 -3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.873 24.384 -4.731 1.00 0.00 H new ATOM 1023 N THR A 67 3.936 24.042 -2.699 1.00 0.00 N ATOM 1024 CA THR A 67 4.951 23.093 -3.138 1.00 0.00 C ATOM 1025 C THR A 67 6.003 22.875 -2.056 1.00 0.00 C ATOM 1026 O THR A 67 6.381 23.807 -1.347 1.00 0.00 O ATOM 1027 CB THR A 67 5.647 23.570 -4.426 1.00 0.00 C ATOM 1028 OG1 THR A 67 4.685 23.724 -5.475 1.00 0.00 O ATOM 1029 CG2 THR A 67 6.722 22.584 -4.857 1.00 0.00 C ATOM 0 H THR A 67 3.665 24.726 -3.406 1.00 0.00 H new ATOM 0 HA THR A 67 4.439 22.152 -3.339 1.00 0.00 H new ATOM 0 HB THR A 67 6.119 24.531 -4.223 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.136 24.029 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.200 22.942 -5.769 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.469 22.492 -4.068 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.269 21.610 -5.043 1.00 0.00 H new ATOM 1037 N SER A 68 6.473 21.637 -1.935 1.00 0.00 N ATOM 1038 CA SER A 68 7.480 21.296 -0.937 1.00 0.00 C ATOM 1039 C SER A 68 8.706 22.193 -1.074 1.00 0.00 C ATOM 1040 O SER A 68 9.160 22.795 -0.102 1.00 0.00 O ATOM 1041 CB SER A 68 7.889 19.828 -1.076 1.00 0.00 C ATOM 1042 OG SER A 68 8.244 19.522 -2.414 1.00 0.00 O ATOM 0 H SER A 68 6.172 20.854 -2.516 1.00 0.00 H new ATOM 0 HA SER A 68 7.046 21.453 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.731 19.618 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.067 19.187 -0.759 1.00 0.00 H new ATOM 0 HG SER A 68 8.503 18.579 -2.476 1.00 0.00 H new ATOM 1048 N GLY A 69 9.238 22.277 -2.290 1.00 0.00 N ATOM 1049 CA GLY A 69 10.407 23.102 -2.533 1.00 0.00 C ATOM 1050 C GLY A 69 11.634 22.282 -2.879 1.00 0.00 C ATOM 1051 O GLY A 69 11.603 21.051 -2.882 1.00 0.00 O ATOM 0 H GLY A 69 8.880 21.788 -3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.196 23.795 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.614 23.704 -1.648 1.00 0.00 H new ATOM 1055 N PRO A 70 12.745 22.970 -3.179 1.00 0.00 N ATOM 1056 CA PRO A 70 14.008 22.317 -3.535 1.00 0.00 C ATOM 1057 C PRO A 70 14.650 21.610 -2.346 1.00 0.00 C ATOM 1058 O PRO A 70 14.272 21.839 -1.197 1.00 0.00 O ATOM 1059 CB PRO A 70 14.888 23.479 -4.005 1.00 0.00 C ATOM 1060 CG PRO A 70 14.333 24.677 -3.314 1.00 0.00 C ATOM 1061 CD PRO A 70 12.854 24.439 -3.195 1.00 0.00 C ATOM 0 HA PRO A 70 13.868 21.540 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.933 23.317 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.848 23.593 -5.088 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.788 24.806 -2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.538 25.585 -3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.448 24.882 -2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.308 24.873 -4.033 1.00 0.00 H new ATOM 1069 N SER A 71 15.623 20.750 -2.630 1.00 0.00 N ATOM 1070 CA SER A 71 16.316 20.007 -1.583 1.00 0.00 C ATOM 1071 C SER A 71 17.491 20.810 -1.033 1.00 0.00 C ATOM 1072 O SER A 71 17.858 21.849 -1.583 1.00 0.00 O ATOM 1073 CB SER A 71 16.810 18.664 -2.124 1.00 0.00 C ATOM 1074 OG SER A 71 17.837 18.847 -3.083 1.00 0.00 O ATOM 0 H SER A 71 15.949 20.550 -3.576 1.00 0.00 H new ATOM 0 HA SER A 71 15.611 19.827 -0.772 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.181 18.051 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.979 18.122 -2.576 1.00 0.00 H new ATOM 0 HG SER A 71 18.137 17.974 -3.412 1.00 0.00 H new ATOM 1080 N SER A 72 18.076 20.321 0.055 1.00 0.00 N ATOM 1081 CA SER A 72 19.207 20.994 0.683 1.00 0.00 C ATOM 1082 C SER A 72 20.512 20.629 -0.016 1.00 0.00 C ATOM 1083 O SER A 72 21.251 19.757 0.440 1.00 0.00 O ATOM 1084 CB SER A 72 19.288 20.624 2.166 1.00 0.00 C ATOM 1085 OG SER A 72 20.149 21.506 2.864 1.00 0.00 O ATOM 0 H SER A 72 17.786 19.461 0.520 1.00 0.00 H new ATOM 0 HA SER A 72 19.055 22.070 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.292 20.657 2.608 1.00 0.00 H new ATOM 0 HB3 SER A 72 19.648 19.601 2.270 1.00 0.00 H new ATOM 0 HG SER A 72 20.183 21.250 3.809 1.00 0.00 H new ATOM 1091 N GLY A 73 20.790 21.303 -1.128 1.00 0.00 N ATOM 1092 CA GLY A 73 22.006 21.036 -1.873 1.00 0.00 C ATOM 1093 C GLY A 73 22.055 19.621 -2.415 1.00 0.00 C ATOM 1094 O GLY A 73 21.450 19.355 -3.452 1.00 0.00 O ATOM 0 H GLY A 73 20.194 22.029 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 73 22.084 21.742 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 73 22.868 21.205 -1.228 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.800 -0.404 -5.919 1.00 0.00 ZN