USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 CYS SG : rot 150:sc= 0.927 USER MOD Set 1.2: A 24 CYS SG : rot -54:sc= 0.709 USER MOD Set 1.3: A 53 HIS : no HD1:sc= 0.27 K(o=1.3,f=0.73) USER MOD Set 1.4: A 56 CYS SG : rot 145:sc= -0.59 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.645 USER MOD Set 2.2: A 27 SER OG : rot 77:sc= 0.723 USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0.802) USER MOD Single : A 9 TYR OH : rot 70:sc= 0.86 USER MOD Single : A 13 TYR OH : rot 3:sc= 1.59 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= 0.71 (180deg=0.5) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -169:sc= -0.161 (180deg=-0.281) USER MOD Single : A 38 MET CE :methyl -173:sc= -1.73 (180deg=-2.09) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 41 SER OG : rot 170:sc= 0.856 USER MOD Single : A 43 MET CE :methyl -135:sc= 0 (180deg=-0.106) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0285 X(o=-0.028,f=-0.33) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.64) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.0055) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.03 K(o=1,f=-0.57) USER MOD Single : A 83 GLN : amide:sc= 0.746 K(o=0.75,f=-0.46) USER MOD Single : A 84 LYS NZ :NH3+ -144:sc= 1.29 (180deg=0.255) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.863) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 1.2 (180deg=1.13) USER MOD Single : A 88 THR OG1 : rot 82:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -3.332 -4.688 11.965 1.00 0.00 N ATOM 80 CA LYS A 7 -3.879 -4.265 10.667 1.00 0.00 C ATOM 81 C LYS A 7 -3.073 -4.902 9.537 1.00 0.00 C ATOM 82 O LYS A 7 -1.844 -4.884 9.568 1.00 0.00 O ATOM 83 CB LYS A 7 -3.989 -2.730 10.524 1.00 0.00 C ATOM 84 CG LYS A 7 -3.145 -1.863 11.468 1.00 0.00 C ATOM 85 CD LYS A 7 -1.631 -2.005 11.258 1.00 0.00 C ATOM 86 CE LYS A 7 -0.913 -1.068 12.235 1.00 0.00 C ATOM 87 NZ LYS A 7 0.519 -0.890 11.890 1.00 0.00 N ATOM 0 HA LYS A 7 -4.907 -4.623 10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.722 -2.469 9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.035 -2.455 10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.424 -0.818 11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.385 -2.126 12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.321 -3.036 11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.366 -1.755 10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.408 -0.097 12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.995 -1.468 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.027 -0.499 12.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.931 -1.810 11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.604 -0.236 11.086 1.00 0.00 H new ATOM 101 N LEU A 8 -3.760 -5.487 8.561 1.00 0.00 N ATOM 102 CA LEU A 8 -3.198 -6.286 7.470 1.00 0.00 C ATOM 103 C LEU A 8 -2.478 -5.459 6.416 1.00 0.00 C ATOM 104 O LEU A 8 -1.642 -6.010 5.707 1.00 0.00 O ATOM 105 CB LEU A 8 -4.360 -6.983 6.745 1.00 0.00 C ATOM 106 CG LEU A 8 -5.163 -7.999 7.564 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.392 -8.377 6.741 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.336 -9.249 7.863 1.00 0.00 C ATOM 0 H LEU A 8 -4.776 -5.415 8.504 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.480 -6.971 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.046 -6.217 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.960 -7.491 5.868 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.446 -7.560 8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.991 -9.101 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.988 -7.485 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.075 -8.814 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.934 -9.950 8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.035 -9.719 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.448 -8.971 8.431 1.00 0.00 H new ATOM 120 N TYR A 9 -2.824 -4.182 6.268 1.00 0.00 N ATOM 121 CA TYR A 9 -2.484 -3.389 5.096 1.00 0.00 C ATOM 122 C TYR A 9 -1.909 -2.036 5.523 1.00 0.00 C ATOM 123 O TYR A 9 -2.164 -1.548 6.623 1.00 0.00 O ATOM 124 CB TYR A 9 -3.728 -3.261 4.193 1.00 0.00 C ATOM 125 CG TYR A 9 -4.382 -4.569 3.771 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.600 -5.605 3.236 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.768 -4.762 3.932 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.176 -6.848 2.914 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.354 -6.006 3.621 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.553 -7.057 3.125 1.00 0.00 C ATOM 131 OH TYR A 9 -6.107 -8.273 2.858 1.00 0.00 O ATOM 0 H TYR A 9 -3.355 -3.665 6.969 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.707 -3.882 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.471 -2.658 4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.446 -2.712 3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.545 -5.446 3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.385 -3.953 4.295 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.564 -7.639 2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.414 -6.155 3.762 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.794 -8.927 3.517 1.00 0.00 H new ATOM 141 N ARG A 10 -1.117 -1.421 4.646 1.00 0.00 N ATOM 142 CA ARG A 10 -0.455 -0.128 4.845 1.00 0.00 C ATOM 143 C ARG A 10 -0.461 0.641 3.523 1.00 0.00 C ATOM 144 O ARG A 10 -0.331 0.020 2.474 1.00 0.00 O ATOM 145 CB ARG A 10 0.961 -0.382 5.413 1.00 0.00 C ATOM 146 CG ARG A 10 2.025 0.723 5.241 1.00 0.00 C ATOM 147 CD ARG A 10 1.725 2.036 5.981 1.00 0.00 C ATOM 148 NE ARG A 10 1.894 1.924 7.444 1.00 0.00 N ATOM 149 CZ ARG A 10 2.817 2.486 8.209 1.00 0.00 C ATOM 150 NH1 ARG A 10 3.800 3.217 7.770 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.748 2.316 9.494 1.00 0.00 N ATOM 0 H ARG A 10 -0.908 -1.828 3.734 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.981 0.494 5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.861 -0.584 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.347 -1.291 4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.984 0.339 5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.134 0.939 4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.383 2.818 5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.703 2.346 5.761 1.00 0.00 H new ATOM 0 HE ARG A 10 1.212 1.339 7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.899 3.391 6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.472 3.616 8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.994 1.759 9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.448 2.740 10.103 1.00 0.00 H new ATOM 165 N VAL A 11 -0.594 1.964 3.567 1.00 0.00 N ATOM 166 CA VAL A 11 -0.435 2.893 2.434 1.00 0.00 C ATOM 167 C VAL A 11 0.251 4.180 2.897 1.00 0.00 C ATOM 168 O VAL A 11 0.003 4.644 4.009 1.00 0.00 O ATOM 169 CB VAL A 11 -1.809 3.185 1.800 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.666 4.166 2.611 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.673 3.777 0.390 1.00 0.00 C ATOM 0 H VAL A 11 -0.827 2.449 4.434 1.00 0.00 H new ATOM 0 HA VAL A 11 0.198 2.433 1.675 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.300 2.212 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.618 4.323 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.848 3.755 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.142 5.117 2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.664 3.968 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.114 4.712 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.144 3.072 -0.251 1.00 0.00 H new ATOM 181 N GLU A 12 1.123 4.761 2.072 1.00 0.00 N ATOM 182 CA GLU A 12 1.797 6.029 2.383 1.00 0.00 C ATOM 183 C GLU A 12 2.466 6.693 1.182 1.00 0.00 C ATOM 184 O GLU A 12 2.907 6.041 0.230 1.00 0.00 O ATOM 185 CB GLU A 12 2.861 5.825 3.487 1.00 0.00 C ATOM 186 CG GLU A 12 3.954 4.813 3.105 1.00 0.00 C ATOM 187 CD GLU A 12 4.970 4.618 4.238 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.551 4.336 5.384 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.190 4.700 3.958 1.00 0.00 O ATOM 0 H GLU A 12 1.384 4.368 1.168 1.00 0.00 H new ATOM 0 HA GLU A 12 1.003 6.695 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.328 6.784 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.367 5.488 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.494 3.856 2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.470 5.157 2.209 1.00 0.00 H new ATOM 196 N TYR A 13 2.628 8.009 1.302 1.00 0.00 N ATOM 197 CA TYR A 13 3.660 8.757 0.598 1.00 0.00 C ATOM 198 C TYR A 13 5.027 8.410 1.207 1.00 0.00 C ATOM 199 O TYR A 13 5.262 8.616 2.400 1.00 0.00 O ATOM 200 CB TYR A 13 3.355 10.258 0.709 1.00 0.00 C ATOM 201 CG TYR A 13 1.954 10.691 0.299 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.319 10.118 -0.821 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.295 11.698 1.031 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.070 10.602 -1.254 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.035 12.172 0.614 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.573 11.638 -0.543 1.00 0.00 C ATOM 207 OH TYR A 13 -1.777 12.116 -0.955 1.00 0.00 O ATOM 0 H TYR A 13 2.038 8.590 1.898 1.00 0.00 H new ATOM 0 HA TYR A 13 3.679 8.493 -0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.520 10.566 1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.075 10.800 0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.793 9.304 -1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.758 12.109 1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.397 10.180 -2.132 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.466 12.944 1.180 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.084 11.604 -1.732 1.00 0.00 H new ATOM 217 N ALA A 14 5.927 7.860 0.396 1.00 0.00 N ATOM 218 CA ALA A 14 7.233 7.373 0.822 1.00 0.00 C ATOM 219 C ALA A 14 8.147 8.521 1.294 1.00 0.00 C ATOM 220 O ALA A 14 8.433 9.447 0.531 1.00 0.00 O ATOM 221 CB ALA A 14 7.835 6.601 -0.358 1.00 0.00 C ATOM 0 H ALA A 14 5.762 7.738 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 14 7.131 6.716 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.817 6.218 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.182 5.768 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.935 7.267 -1.215 1.00 0.00 H new ATOM 227 N LYS A 15 8.635 8.449 2.540 1.00 0.00 N ATOM 228 CA LYS A 15 9.514 9.470 3.154 1.00 0.00 C ATOM 229 C LYS A 15 11.011 9.151 3.032 1.00 0.00 C ATOM 230 O LYS A 15 11.837 10.064 3.029 1.00 0.00 O ATOM 231 CB LYS A 15 9.111 9.684 4.629 1.00 0.00 C ATOM 232 CG LYS A 15 7.625 10.026 4.860 1.00 0.00 C ATOM 233 CD LYS A 15 7.086 11.230 4.064 1.00 0.00 C ATOM 234 CE LYS A 15 7.832 12.549 4.321 1.00 0.00 C ATOM 235 NZ LYS A 15 7.623 13.061 5.703 1.00 0.00 N ATOM 0 H LYS A 15 8.430 7.669 3.165 1.00 0.00 H new ATOM 0 HA LYS A 15 9.368 10.393 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.351 8.780 5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.721 10.487 5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.026 9.150 4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.477 10.220 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.138 10.999 3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.033 11.369 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.898 12.399 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.496 13.299 3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.146 13.951 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.609 13.230 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.968 12.359 6.389 1.00 0.00 H new ATOM 249 N SER A 16 11.356 7.868 2.905 1.00 0.00 N ATOM 250 CA SER A 16 12.722 7.353 2.737 1.00 0.00 C ATOM 251 C SER A 16 12.716 6.043 1.940 1.00 0.00 C ATOM 252 O SER A 16 11.745 5.281 1.987 1.00 0.00 O ATOM 253 CB SER A 16 13.375 7.148 4.109 1.00 0.00 C ATOM 254 OG SER A 16 14.728 6.758 3.952 1.00 0.00 O ATOM 0 H SER A 16 10.660 7.123 2.917 1.00 0.00 H new ATOM 0 HA SER A 16 13.304 8.084 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.319 8.070 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.832 6.387 4.669 1.00 0.00 H new ATOM 0 HG SER A 16 15.136 6.631 4.834 1.00 0.00 H new ATOM 260 N GLY A 17 13.791 5.773 1.198 1.00 0.00 N ATOM 261 CA GLY A 17 13.895 4.683 0.219 1.00 0.00 C ATOM 262 C GLY A 17 14.223 3.291 0.781 1.00 0.00 C ATOM 263 O GLY A 17 14.679 2.432 0.025 1.00 0.00 O ATOM 0 H GLY A 17 14.646 6.326 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.952 4.619 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.663 4.948 -0.508 1.00 0.00 H new ATOM 267 N ARG A 18 14.027 3.050 2.087 1.00 0.00 N ATOM 268 CA ARG A 18 14.353 1.770 2.757 1.00 0.00 C ATOM 269 C ARG A 18 13.509 0.574 2.287 1.00 0.00 C ATOM 270 O ARG A 18 13.966 -0.566 2.384 1.00 0.00 O ATOM 271 CB ARG A 18 14.230 1.919 4.280 1.00 0.00 C ATOM 272 CG ARG A 18 15.267 2.890 4.865 1.00 0.00 C ATOM 273 CD ARG A 18 15.582 2.481 6.306 1.00 0.00 C ATOM 274 NE ARG A 18 16.531 3.405 6.954 1.00 0.00 N ATOM 275 CZ ARG A 18 17.121 3.231 8.123 1.00 0.00 C ATOM 276 NH1 ARG A 18 16.961 2.182 8.874 1.00 0.00 N ATOM 277 NH2 ARG A 18 17.931 4.122 8.589 1.00 0.00 N ATOM 0 H ARG A 18 13.632 3.745 2.721 1.00 0.00 H new ATOM 0 HA ARG A 18 15.382 1.548 2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.228 2.271 4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.349 0.942 4.748 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.176 2.876 4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.883 3.910 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 18 14.658 2.449 6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.997 1.473 6.313 1.00 0.00 H new ATOM 0 HE ARG A 18 16.754 4.263 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.347 1.426 8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.449 2.115 9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.120 4.969 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.382 3.979 9.493 1.00 0.00 H new ATOM 291 N ALA A 19 12.289 0.815 1.805 1.00 0.00 N ATOM 292 CA ALA A 19 11.365 -0.221 1.346 1.00 0.00 C ATOM 293 C ALA A 19 11.691 -0.717 -0.076 1.00 0.00 C ATOM 294 O ALA A 19 12.005 0.080 -0.964 1.00 0.00 O ATOM 295 CB ALA A 19 9.935 0.324 1.424 1.00 0.00 C ATOM 0 H ALA A 19 11.908 1.757 1.721 1.00 0.00 H new ATOM 0 HA ALA A 19 11.470 -1.088 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.236 -0.440 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.704 0.594 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.846 1.206 0.789 1.00 0.00 H new ATOM 301 N SER A 20 11.530 -2.022 -0.309 1.00 0.00 N ATOM 302 CA SER A 20 11.735 -2.665 -1.616 1.00 0.00 C ATOM 303 C SER A 20 10.534 -3.513 -2.023 1.00 0.00 C ATOM 304 O SER A 20 9.869 -4.108 -1.173 1.00 0.00 O ATOM 305 CB SER A 20 13.019 -3.499 -1.638 1.00 0.00 C ATOM 306 OG SER A 20 14.153 -2.655 -1.505 1.00 0.00 O ATOM 0 H SER A 20 11.247 -2.678 0.419 1.00 0.00 H new ATOM 0 HA SER A 20 11.841 -1.865 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.002 -4.228 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.081 -4.060 -2.570 1.00 0.00 H new ATOM 0 HG SER A 20 14.969 -3.198 -1.519 1.00 0.00 H new ATOM 312 N CYS A 21 10.251 -3.548 -3.326 1.00 0.00 N ATOM 313 CA CYS A 21 9.023 -4.101 -3.884 1.00 0.00 C ATOM 314 C CYS A 21 9.092 -5.632 -3.979 1.00 0.00 C ATOM 315 O CYS A 21 9.936 -6.195 -4.683 1.00 0.00 O ATOM 316 CB CYS A 21 8.795 -3.428 -5.236 1.00 0.00 C ATOM 317 SG CYS A 21 7.179 -3.891 -5.957 1.00 0.00 S ATOM 0 H CYS A 21 10.886 -3.183 -4.036 1.00 0.00 H new ATOM 0 HA CYS A 21 8.172 -3.897 -3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.844 -2.346 -5.117 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.594 -3.709 -5.922 1.00 0.00 H new ATOM 0 HG CYS A 21 6.732 -2.911 -6.685 1.00 0.00 H new ATOM 322 N LYS A 22 8.185 -6.320 -3.278 1.00 0.00 N ATOM 323 CA LYS A 22 8.131 -7.794 -3.228 1.00 0.00 C ATOM 324 C LYS A 22 7.547 -8.431 -4.498 1.00 0.00 C ATOM 325 O LYS A 22 7.586 -9.657 -4.633 1.00 0.00 O ATOM 326 CB LYS A 22 7.349 -8.244 -1.979 1.00 0.00 C ATOM 327 CG LYS A 22 7.846 -7.649 -0.655 1.00 0.00 C ATOM 328 CD LYS A 22 9.252 -8.094 -0.231 1.00 0.00 C ATOM 329 CE LYS A 22 9.305 -9.597 0.082 1.00 0.00 C ATOM 330 NZ LYS A 22 10.653 -10.011 0.552 1.00 0.00 N ATOM 0 H LYS A 22 7.458 -5.869 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 22 9.160 -8.147 -3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.300 -7.977 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.395 -9.331 -1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.834 -6.562 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.143 -7.918 0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.961 -7.863 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.563 -7.529 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.564 -9.837 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.040 -10.165 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.652 -11.031 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.356 -9.805 -0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.895 -9.487 1.417 1.00 0.00 H new ATOM 344 N LYS A 23 7.001 -7.620 -5.418 1.00 0.00 N ATOM 345 CA LYS A 23 6.305 -8.071 -6.639 1.00 0.00 C ATOM 346 C LYS A 23 7.143 -7.904 -7.913 1.00 0.00 C ATOM 347 O LYS A 23 7.272 -8.875 -8.660 1.00 0.00 O ATOM 348 CB LYS A 23 4.937 -7.372 -6.719 1.00 0.00 C ATOM 349 CG LYS A 23 4.085 -7.722 -7.949 1.00 0.00 C ATOM 350 CD LYS A 23 3.794 -9.225 -8.098 1.00 0.00 C ATOM 351 CE LYS A 23 2.813 -9.439 -9.254 1.00 0.00 C ATOM 352 NZ LYS A 23 2.542 -10.880 -9.498 1.00 0.00 N ATOM 0 H LYS A 23 7.031 -6.604 -5.333 1.00 0.00 H new ATOM 0 HA LYS A 23 6.146 -9.147 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.369 -7.621 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.098 -6.294 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.139 -7.183 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.596 -7.370 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.719 -9.769 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.375 -9.619 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.876 -8.927 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.217 -8.988 -10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.873 -10.979 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.431 -11.365 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.132 -11.306 -8.642 1.00 0.00 H new ATOM 366 N CYS A 24 7.725 -6.720 -8.150 1.00 0.00 N ATOM 367 CA CYS A 24 8.578 -6.453 -9.323 1.00 0.00 C ATOM 368 C CYS A 24 10.101 -6.448 -9.029 1.00 0.00 C ATOM 369 O CYS A 24 10.915 -6.304 -9.947 1.00 0.00 O ATOM 370 CB CYS A 24 8.051 -5.241 -10.115 1.00 0.00 C ATOM 371 SG CYS A 24 8.468 -3.621 -9.366 1.00 0.00 S ATOM 0 H CYS A 24 7.619 -5.915 -7.532 1.00 0.00 H new ATOM 0 HA CYS A 24 8.491 -7.312 -9.988 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.456 -5.277 -11.126 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.967 -5.321 -10.203 1.00 0.00 H new ATOM 0 HG CYS A 24 8.072 -3.600 -8.128 1.00 0.00 H new ATOM 376 N SER A 25 10.490 -6.692 -7.769 1.00 0.00 N ATOM 377 CA SER A 25 11.879 -6.851 -7.291 1.00 0.00 C ATOM 378 C SER A 25 12.789 -5.618 -7.454 1.00 0.00 C ATOM 379 O SER A 25 14.014 -5.725 -7.341 1.00 0.00 O ATOM 380 CB SER A 25 12.523 -8.135 -7.841 1.00 0.00 C ATOM 381 OG SER A 25 11.721 -9.275 -7.552 1.00 0.00 O ATOM 0 H SER A 25 9.812 -6.790 -7.013 1.00 0.00 H new ATOM 0 HA SER A 25 11.784 -6.951 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.658 -8.045 -8.919 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.514 -8.264 -7.406 1.00 0.00 H new ATOM 0 HG SER A 25 12.151 -10.078 -7.914 1.00 0.00 H new ATOM 387 N GLU A 26 12.209 -4.436 -7.675 1.00 0.00 N ATOM 388 CA GLU A 26 12.893 -3.136 -7.620 1.00 0.00 C ATOM 389 C GLU A 26 12.847 -2.560 -6.189 1.00 0.00 C ATOM 390 O GLU A 26 12.256 -3.151 -5.283 1.00 0.00 O ATOM 391 CB GLU A 26 12.255 -2.173 -8.641 1.00 0.00 C ATOM 392 CG GLU A 26 12.391 -2.613 -10.108 1.00 0.00 C ATOM 393 CD GLU A 26 13.854 -2.578 -10.597 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.332 -1.491 -11.003 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.534 -3.632 -10.592 1.00 0.00 O ATOM 0 H GLU A 26 11.219 -4.352 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 26 13.943 -3.267 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.197 -2.063 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.711 -1.189 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.997 -3.623 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.784 -1.962 -10.738 1.00 0.00 H new ATOM 402 N SER A 27 13.451 -1.390 -5.965 1.00 0.00 N ATOM 403 CA SER A 27 13.388 -0.670 -4.682 1.00 0.00 C ATOM 404 C SER A 27 12.631 0.646 -4.805 1.00 0.00 C ATOM 405 O SER A 27 12.673 1.305 -5.845 1.00 0.00 O ATOM 406 CB SER A 27 14.774 -0.460 -4.105 1.00 0.00 C ATOM 407 OG SER A 27 14.704 -0.095 -2.743 1.00 0.00 O ATOM 0 H SER A 27 14.004 -0.908 -6.674 1.00 0.00 H new ATOM 0 HA SER A 27 12.828 -1.295 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.358 -1.374 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.292 0.317 -4.667 1.00 0.00 H new ATOM 0 HG SER A 27 14.516 -0.889 -2.201 1.00 0.00 H new ATOM 413 N ILE A 28 11.903 1.021 -3.757 1.00 0.00 N ATOM 414 CA ILE A 28 10.822 2.008 -3.842 1.00 0.00 C ATOM 415 C ILE A 28 11.341 3.411 -3.455 1.00 0.00 C ATOM 416 O ILE A 28 11.740 3.603 -2.302 1.00 0.00 O ATOM 417 CB ILE A 28 9.597 1.570 -2.999 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.148 0.115 -3.299 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.426 2.535 -3.262 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.122 -0.445 -2.303 1.00 0.00 C ATOM 0 H ILE A 28 12.044 0.649 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 28 10.479 2.066 -4.875 1.00 0.00 H new ATOM 0 HB ILE A 28 9.896 1.603 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.722 0.077 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.026 -0.531 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.563 2.230 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.718 3.547 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.167 2.513 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.861 -1.465 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.550 -0.443 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.226 0.175 -2.317 1.00 0.00 H new ATOM 432 N PRO A 29 11.351 4.401 -4.371 1.00 0.00 N ATOM 433 CA PRO A 29 11.862 5.746 -4.092 1.00 0.00 C ATOM 434 C PRO A 29 10.950 6.548 -3.152 1.00 0.00 C ATOM 435 O PRO A 29 9.740 6.314 -3.080 1.00 0.00 O ATOM 436 CB PRO A 29 11.988 6.426 -5.459 1.00 0.00 C ATOM 437 CG PRO A 29 10.892 5.756 -6.285 1.00 0.00 C ATOM 438 CD PRO A 29 10.898 4.322 -5.756 1.00 0.00 C ATOM 0 HA PRO A 29 12.817 5.692 -3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.837 7.503 -5.388 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.974 6.270 -5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.925 6.237 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.109 5.794 -7.352 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.903 3.881 -5.816 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.562 3.692 -6.347 1.00 0.00 H new ATOM 446 N LYS A 30 11.528 7.548 -2.471 1.00 0.00 N ATOM 447 CA LYS A 30 10.769 8.569 -1.727 1.00 0.00 C ATOM 448 C LYS A 30 10.051 9.555 -2.663 1.00 0.00 C ATOM 449 O LYS A 30 10.360 9.639 -3.852 1.00 0.00 O ATOM 450 CB LYS A 30 11.646 9.246 -0.661 1.00 0.00 C ATOM 451 CG LYS A 30 12.809 10.087 -1.212 1.00 0.00 C ATOM 452 CD LYS A 30 13.588 10.767 -0.074 1.00 0.00 C ATOM 453 CE LYS A 30 12.809 11.944 0.535 1.00 0.00 C ATOM 454 NZ LYS A 30 13.305 12.284 1.893 1.00 0.00 N ATOM 0 H LYS A 30 12.539 7.674 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 30 9.969 8.066 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.014 9.887 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.053 8.476 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.481 9.451 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.423 10.843 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.806 10.035 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.546 11.124 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.898 12.815 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.750 11.692 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.002 13.247 2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.917 11.610 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.344 12.233 1.906 1.00 0.00 H new ATOM 468 N ASP A 31 9.079 10.289 -2.121 1.00 0.00 N ATOM 469 CA ASP A 31 8.141 11.155 -2.858 1.00 0.00 C ATOM 470 C ASP A 31 7.335 10.403 -3.947 1.00 0.00 C ATOM 471 O ASP A 31 7.093 10.901 -5.047 1.00 0.00 O ATOM 472 CB ASP A 31 8.846 12.446 -3.327 1.00 0.00 C ATOM 473 CG ASP A 31 7.872 13.566 -3.742 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.820 13.743 -3.081 1.00 0.00 O ATOM 475 OD2 ASP A 31 8.183 14.314 -4.703 1.00 0.00 O ATOM 0 H ASP A 31 8.912 10.301 -1.115 1.00 0.00 H new ATOM 0 HA ASP A 31 7.361 11.477 -2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.487 12.812 -2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.495 12.210 -4.170 1.00 0.00 H new ATOM 480 N SER A 32 6.925 9.170 -3.634 1.00 0.00 N ATOM 481 CA SER A 32 6.042 8.318 -4.447 1.00 0.00 C ATOM 482 C SER A 32 5.062 7.552 -3.543 1.00 0.00 C ATOM 483 O SER A 32 5.238 7.526 -2.324 1.00 0.00 O ATOM 484 CB SER A 32 6.881 7.363 -5.304 1.00 0.00 C ATOM 485 OG SER A 32 6.076 6.801 -6.330 1.00 0.00 O ATOM 0 H SER A 32 7.211 8.715 -2.767 1.00 0.00 H new ATOM 0 HA SER A 32 5.454 8.944 -5.118 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.723 7.899 -5.743 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.297 6.571 -4.681 1.00 0.00 H new ATOM 0 HG SER A 32 6.618 6.193 -6.875 1.00 0.00 H new ATOM 491 N LEU A 33 4.016 6.942 -4.105 1.00 0.00 N ATOM 492 CA LEU A 33 2.962 6.248 -3.357 1.00 0.00 C ATOM 493 C LEU A 33 3.256 4.740 -3.278 1.00 0.00 C ATOM 494 O LEU A 33 3.521 4.093 -4.298 1.00 0.00 O ATOM 495 CB LEU A 33 1.603 6.568 -4.008 1.00 0.00 C ATOM 496 CG LEU A 33 0.384 6.010 -3.250 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.118 6.715 -1.923 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.874 6.176 -4.098 1.00 0.00 C ATOM 0 H LEU A 33 3.874 6.915 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 33 2.930 6.599 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.500 7.650 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.598 6.169 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 33 0.616 4.964 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.754 6.271 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.985 6.605 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.067 7.774 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.733 5.779 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.034 7.233 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.755 5.634 -5.036 1.00 0.00 H new ATOM 510 N ARG A 34 3.188 4.170 -2.070 1.00 0.00 N ATOM 511 CA ARG A 34 3.490 2.758 -1.787 1.00 0.00 C ATOM 512 C ARG A 34 2.522 2.155 -0.776 1.00 0.00 C ATOM 513 O ARG A 34 1.847 2.873 -0.039 1.00 0.00 O ATOM 514 CB ARG A 34 4.964 2.603 -1.370 1.00 0.00 C ATOM 515 CG ARG A 34 5.350 3.234 -0.020 1.00 0.00 C ATOM 516 CD ARG A 34 6.838 2.971 0.258 1.00 0.00 C ATOM 517 NE ARG A 34 7.295 3.604 1.509 1.00 0.00 N ATOM 518 CZ ARG A 34 8.522 3.969 1.821 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.534 3.850 1.011 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.745 4.502 2.980 1.00 0.00 N ATOM 0 H ARG A 34 2.914 4.691 -1.237 1.00 0.00 H new ATOM 0 HA ARG A 34 3.346 2.186 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.201 1.540 -1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.590 3.043 -2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.156 4.306 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.739 2.813 0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.010 1.896 0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.433 3.347 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 34 6.579 3.779 2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.398 3.457 0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.463 4.150 1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.976 4.634 3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.690 4.790 3.236 1.00 0.00 H new ATOM 534 N MET A 35 2.469 0.830 -0.751 1.00 0.00 N ATOM 535 CA MET A 35 1.639 0.014 0.135 1.00 0.00 C ATOM 536 C MET A 35 2.452 -1.114 0.773 1.00 0.00 C ATOM 537 O MET A 35 3.526 -1.461 0.286 1.00 0.00 O ATOM 538 CB MET A 35 0.418 -0.537 -0.622 1.00 0.00 C ATOM 539 CG MET A 35 -0.597 0.560 -0.955 1.00 0.00 C ATOM 540 SD MET A 35 -2.119 0.026 -1.788 1.00 0.00 S ATOM 541 CE MET A 35 -2.960 -0.810 -0.416 1.00 0.00 C ATOM 0 H MET A 35 3.034 0.261 -1.382 1.00 0.00 H new ATOM 0 HA MET A 35 1.277 0.651 0.942 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.749 -1.016 -1.544 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.065 -1.306 -0.019 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.873 1.063 -0.028 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.105 1.301 -1.585 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.817 -1.364 -0.798 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.269 -1.500 0.068 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.300 -0.069 0.308 1.00 0.00 H new ATOM 551 N ALA A 36 1.964 -1.673 1.878 1.00 0.00 N ATOM 552 CA ALA A 36 2.601 -2.794 2.571 1.00 0.00 C ATOM 553 C ALA A 36 1.574 -3.789 3.137 1.00 0.00 C ATOM 554 O ALA A 36 0.386 -3.469 3.232 1.00 0.00 O ATOM 555 CB ALA A 36 3.560 -2.264 3.650 1.00 0.00 C ATOM 0 H ALA A 36 1.103 -1.357 2.325 1.00 0.00 H new ATOM 0 HA ALA A 36 3.185 -3.359 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.031 -3.103 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.328 -1.647 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.002 -1.666 4.371 1.00 0.00 H new ATOM 561 N ILE A 37 2.033 -4.981 3.534 1.00 0.00 N ATOM 562 CA ILE A 37 1.203 -6.040 4.124 1.00 0.00 C ATOM 563 C ILE A 37 1.795 -6.552 5.432 1.00 0.00 C ATOM 564 O ILE A 37 2.999 -6.778 5.507 1.00 0.00 O ATOM 565 CB ILE A 37 0.979 -7.165 3.086 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.419 -6.972 2.480 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.124 -8.594 3.628 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.669 -7.738 1.184 1.00 0.00 C ATOM 0 H ILE A 37 3.015 -5.243 3.452 1.00 0.00 H new ATOM 0 HA ILE A 37 0.228 -5.627 4.383 1.00 0.00 H new ATOM 0 HB ILE A 37 1.771 -7.073 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.163 -7.278 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.574 -5.910 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.948 -9.308 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.130 -8.733 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.397 -8.757 4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.682 -7.539 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.047 -7.417 0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.551 -8.806 1.364 1.00 0.00 H new ATOM 580 N MET A 38 0.962 -6.789 6.446 1.00 0.00 N ATOM 581 CA MET A 38 1.394 -7.347 7.723 1.00 0.00 C ATOM 582 C MET A 38 1.331 -8.878 7.728 1.00 0.00 C ATOM 583 O MET A 38 0.251 -9.461 7.608 1.00 0.00 O ATOM 584 CB MET A 38 0.560 -6.708 8.844 1.00 0.00 C ATOM 585 CG MET A 38 1.212 -6.786 10.228 1.00 0.00 C ATOM 586 SD MET A 38 2.209 -5.341 10.703 1.00 0.00 S ATOM 587 CE MET A 38 3.419 -5.317 9.361 1.00 0.00 C ATOM 0 H MET A 38 -0.039 -6.597 6.401 1.00 0.00 H new ATOM 0 HA MET A 38 2.444 -7.107 7.893 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.380 -5.662 8.597 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.413 -7.198 8.884 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.428 -6.926 10.973 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.847 -7.671 10.263 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.179 -4.565 9.570 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.890 -6.296 9.279 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.918 -5.076 8.424 1.00 0.00 H new ATOM 597 N VAL A 39 2.487 -9.527 7.904 1.00 0.00 N ATOM 598 CA VAL A 39 2.599 -10.994 8.034 1.00 0.00 C ATOM 599 C VAL A 39 3.527 -11.398 9.181 1.00 0.00 C ATOM 600 O VAL A 39 4.528 -10.741 9.454 1.00 0.00 O ATOM 601 CB VAL A 39 3.009 -11.642 6.695 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.409 -11.237 6.229 1.00 0.00 C ATOM 603 CG2 VAL A 39 2.913 -13.172 6.717 1.00 0.00 C ATOM 0 H VAL A 39 3.385 -9.047 7.962 1.00 0.00 H new ATOM 0 HA VAL A 39 1.611 -11.377 8.289 1.00 0.00 H new ATOM 0 HB VAL A 39 2.283 -11.254 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.634 -11.728 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.450 -10.156 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.143 -11.538 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.214 -13.569 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.571 -13.567 7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.886 -13.469 6.928 1.00 0.00 H new ATOM 613 N GLN A 40 3.193 -12.493 9.863 1.00 0.00 N ATOM 614 CA GLN A 40 4.020 -13.115 10.904 1.00 0.00 C ATOM 615 C GLN A 40 5.258 -13.798 10.297 1.00 0.00 C ATOM 616 O GLN A 40 5.144 -14.589 9.358 1.00 0.00 O ATOM 617 CB GLN A 40 3.175 -14.084 11.754 1.00 0.00 C ATOM 618 CG GLN A 40 2.185 -14.950 10.945 1.00 0.00 C ATOM 619 CD GLN A 40 1.475 -16.020 11.781 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.632 -16.143 12.990 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.649 -16.842 11.165 1.00 0.00 N ATOM 0 H GLN A 40 2.315 -12.988 9.704 1.00 0.00 H new ATOM 0 HA GLN A 40 4.390 -12.334 11.569 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.846 -14.742 12.307 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.616 -13.508 12.491 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.436 -14.301 10.490 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.723 -15.436 10.131 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.502 -16.759 10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.156 -17.561 11.694 1.00 0.00 H new ATOM 630 N SER A 41 6.446 -13.497 10.826 1.00 0.00 N ATOM 631 CA SER A 41 7.720 -13.990 10.289 1.00 0.00 C ATOM 632 C SER A 41 8.154 -15.325 10.900 1.00 0.00 C ATOM 633 O SER A 41 8.131 -15.474 12.126 1.00 0.00 O ATOM 634 CB SER A 41 8.820 -12.956 10.504 1.00 0.00 C ATOM 635 OG SER A 41 10.021 -13.410 9.896 1.00 0.00 O ATOM 0 H SER A 41 6.554 -12.900 11.646 1.00 0.00 H new ATOM 0 HA SER A 41 7.559 -14.157 9.224 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.523 -11.998 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.978 -12.794 11.570 1.00 0.00 H new ATOM 0 HG SER A 41 10.680 -12.684 9.891 1.00 0.00 H new ATOM 641 N PRO A 42 8.644 -16.272 10.076 1.00 0.00 N ATOM 642 CA PRO A 42 9.350 -17.449 10.569 1.00 0.00 C ATOM 643 C PRO A 42 10.776 -17.168 11.084 1.00 0.00 C ATOM 644 O PRO A 42 11.361 -18.026 11.749 1.00 0.00 O ATOM 645 CB PRO A 42 9.369 -18.450 9.405 1.00 0.00 C ATOM 646 CG PRO A 42 8.274 -17.957 8.460 1.00 0.00 C ATOM 647 CD PRO A 42 8.306 -16.446 8.672 1.00 0.00 C ATOM 0 HA PRO A 42 8.829 -17.837 11.445 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.341 -18.467 8.912 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.169 -19.464 9.750 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.482 -18.225 7.424 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.302 -18.381 8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.045 -15.972 8.026 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.342 -15.994 8.439 1.00 0.00 H new ATOM 655 N MET A 43 11.351 -15.998 10.767 1.00 0.00 N ATOM 656 CA MET A 43 12.756 -15.641 11.046 1.00 0.00 C ATOM 657 C MET A 43 12.919 -14.480 12.044 1.00 0.00 C ATOM 658 O MET A 43 13.943 -14.398 12.726 1.00 0.00 O ATOM 659 CB MET A 43 13.461 -15.306 9.724 1.00 0.00 C ATOM 660 CG MET A 43 13.690 -16.559 8.865 1.00 0.00 C ATOM 661 SD MET A 43 13.586 -16.277 7.079 1.00 0.00 S ATOM 662 CE MET A 43 11.786 -16.096 6.955 1.00 0.00 C ATOM 0 H MET A 43 10.840 -15.251 10.296 1.00 0.00 H new ATOM 0 HA MET A 43 13.215 -16.507 11.523 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.862 -14.587 9.165 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.419 -14.829 9.934 1.00 0.00 H new ATOM 0 HG2 MET A 43 14.673 -16.969 9.098 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.955 -17.314 9.144 1.00 0.00 H new ATOM 0 HE1 MET A 43 11.420 -16.671 6.104 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.320 -16.463 7.869 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.535 -15.044 6.817 1.00 0.00 H new ATOM 672 N PHE A 44 11.922 -13.595 12.149 1.00 0.00 N ATOM 673 CA PHE A 44 11.883 -12.451 13.067 1.00 0.00 C ATOM 674 C PHE A 44 10.908 -12.695 14.236 1.00 0.00 C ATOM 675 O PHE A 44 9.961 -13.474 14.131 1.00 0.00 O ATOM 676 CB PHE A 44 11.567 -11.172 12.272 1.00 0.00 C ATOM 677 CG PHE A 44 11.443 -9.916 13.114 1.00 0.00 C ATOM 678 CD1 PHE A 44 12.597 -9.280 13.610 1.00 0.00 C ATOM 679 CD2 PHE A 44 10.170 -9.403 13.433 1.00 0.00 C ATOM 680 CE1 PHE A 44 12.478 -8.138 14.422 1.00 0.00 C ATOM 681 CE2 PHE A 44 10.052 -8.260 14.244 1.00 0.00 C ATOM 682 CZ PHE A 44 11.206 -7.629 14.739 1.00 0.00 C ATOM 0 H PHE A 44 11.084 -13.659 11.572 1.00 0.00 H new ATOM 0 HA PHE A 44 12.861 -12.322 13.530 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.350 -11.019 11.530 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.635 -11.321 11.726 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.574 -9.670 13.367 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.283 -9.889 13.054 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.364 -7.652 14.802 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.075 -7.868 14.486 1.00 0.00 H new ATOM 0 HZ PHE A 44 11.116 -6.752 15.363 1.00 0.00 H new ATOM 692 N ASP A 45 11.135 -12.014 15.359 1.00 0.00 N ATOM 693 CA ASP A 45 10.416 -12.192 16.633 1.00 0.00 C ATOM 694 C ASP A 45 9.073 -11.421 16.686 1.00 0.00 C ATOM 695 O ASP A 45 8.772 -10.708 17.648 1.00 0.00 O ATOM 696 CB ASP A 45 11.377 -11.864 17.790 1.00 0.00 C ATOM 697 CG ASP A 45 10.821 -12.251 19.175 1.00 0.00 C ATOM 698 OD1 ASP A 45 10.221 -13.347 19.313 1.00 0.00 O ATOM 699 OD2 ASP A 45 11.031 -11.487 20.149 1.00 0.00 O ATOM 0 H ASP A 45 11.853 -11.292 15.415 1.00 0.00 H new ATOM 0 HA ASP A 45 10.109 -13.233 16.732 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.321 -12.384 17.627 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.595 -10.796 17.780 1.00 0.00 H new ATOM 704 N GLY A 46 8.274 -11.523 15.620 1.00 0.00 N ATOM 705 CA GLY A 46 6.993 -10.828 15.457 1.00 0.00 C ATOM 706 C GLY A 46 6.547 -10.735 13.998 1.00 0.00 C ATOM 707 O GLY A 46 6.834 -11.620 13.183 1.00 0.00 O ATOM 0 H GLY A 46 8.508 -12.111 14.820 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.228 -11.348 16.033 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.076 -9.823 15.871 1.00 0.00 H new ATOM 711 N LYS A 47 5.830 -9.656 13.671 1.00 0.00 N ATOM 712 CA LYS A 47 5.240 -9.418 12.342 1.00 0.00 C ATOM 713 C LYS A 47 5.990 -8.330 11.574 1.00 0.00 C ATOM 714 O LYS A 47 6.510 -7.383 12.167 1.00 0.00 O ATOM 715 CB LYS A 47 3.724 -9.155 12.446 1.00 0.00 C ATOM 716 CG LYS A 47 3.012 -10.208 13.325 1.00 0.00 C ATOM 717 CD LYS A 47 1.670 -10.703 12.775 1.00 0.00 C ATOM 718 CE LYS A 47 0.588 -9.633 12.598 1.00 0.00 C ATOM 719 NZ LYS A 47 0.079 -9.114 13.894 1.00 0.00 N ATOM 0 H LYS A 47 5.637 -8.905 14.334 1.00 0.00 H new ATOM 0 HA LYS A 47 5.356 -10.328 11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.556 -8.162 12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.286 -9.160 11.448 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.675 -11.064 13.451 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.848 -9.783 14.315 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.847 -11.177 11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.287 -11.474 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.992 -8.806 12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.241 -10.051 12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.650 -8.394 13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.332 -9.895 14.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.863 -8.689 14.430 1.00 0.00 H new ATOM 733 N VAL A 48 6.060 -8.490 10.254 1.00 0.00 N ATOM 734 CA VAL A 48 6.922 -7.723 9.341 1.00 0.00 C ATOM 735 C VAL A 48 6.135 -7.165 8.144 1.00 0.00 C ATOM 736 O VAL A 48 5.225 -7.844 7.655 1.00 0.00 O ATOM 737 CB VAL A 48 8.116 -8.571 8.855 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.053 -8.923 10.020 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.709 -9.880 8.161 1.00 0.00 C ATOM 0 H VAL A 48 5.496 -9.186 9.766 1.00 0.00 H new ATOM 0 HA VAL A 48 7.310 -6.876 9.907 1.00 0.00 H new ATOM 0 HB VAL A 48 8.622 -7.944 8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.886 -9.521 9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.436 -8.006 10.469 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.503 -9.492 10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.603 -10.419 7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.137 -10.497 8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.098 -9.654 7.287 1.00 0.00 H new ATOM 749 N PRO A 49 6.443 -5.944 7.662 1.00 0.00 N ATOM 750 CA PRO A 49 5.750 -5.338 6.528 1.00 0.00 C ATOM 751 C PRO A 49 6.333 -5.793 5.178 1.00 0.00 C ATOM 752 O PRO A 49 7.535 -5.668 4.928 1.00 0.00 O ATOM 753 CB PRO A 49 5.887 -3.826 6.734 1.00 0.00 C ATOM 754 CG PRO A 49 7.240 -3.695 7.436 1.00 0.00 C ATOM 755 CD PRO A 49 7.332 -4.967 8.281 1.00 0.00 C ATOM 0 HA PRO A 49 4.705 -5.645 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.870 -3.287 5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.076 -3.427 7.343 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.059 -3.630 6.719 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.286 -2.799 8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.356 -5.339 8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.034 -4.770 9.311 1.00 0.00 H new ATOM 763 N HIS A 50 5.483 -6.288 4.275 1.00 0.00 N ATOM 764 CA HIS A 50 5.832 -6.620 2.887 1.00 0.00 C ATOM 765 C HIS A 50 5.452 -5.461 1.980 1.00 0.00 C ATOM 766 O HIS A 50 4.276 -5.305 1.674 1.00 0.00 O ATOM 767 CB HIS A 50 5.137 -7.924 2.459 1.00 0.00 C ATOM 768 CG HIS A 50 5.804 -9.180 2.966 1.00 0.00 C ATOM 769 ND1 HIS A 50 5.821 -10.409 2.303 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.468 -9.310 4.151 1.00 0.00 C ATOM 771 CE1 HIS A 50 6.490 -11.252 3.108 1.00 0.00 C ATOM 772 NE2 HIS A 50 6.911 -10.613 4.213 1.00 0.00 N ATOM 0 H HIS A 50 4.504 -6.475 4.493 1.00 0.00 H new ATOM 0 HA HIS A 50 6.907 -6.781 2.807 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.106 -7.906 2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.099 -7.961 1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.617 -8.541 4.895 1.00 0.00 H new ATOM 0 HE1 HIS A 50 6.665 -12.297 2.897 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.463 -11.022 4.967 1.00 0.00 H new ATOM 780 N TRP A 51 6.421 -4.631 1.594 1.00 0.00 N ATOM 781 CA TRP A 51 6.198 -3.424 0.798 1.00 0.00 C ATOM 782 C TRP A 51 6.056 -3.717 -0.699 1.00 0.00 C ATOM 783 O TRP A 51 6.726 -4.585 -1.255 1.00 0.00 O ATOM 784 CB TRP A 51 7.345 -2.439 1.020 1.00 0.00 C ATOM 785 CG TRP A 51 7.476 -1.923 2.416 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.304 -2.415 3.365 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.778 -0.799 3.032 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.158 -1.685 4.528 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.213 -0.691 4.387 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.812 0.131 2.586 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.699 0.272 5.265 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.282 1.097 3.463 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.722 1.165 4.798 1.00 0.00 C ATOM 0 H TRP A 51 7.402 -4.782 1.830 1.00 0.00 H new ATOM 0 HA TRP A 51 5.255 -2.992 1.133 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.280 -2.925 0.739 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.211 -1.592 0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 51 8.976 -3.250 3.234 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.684 -1.859 5.385 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.476 0.101 1.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.049 0.326 6.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.533 1.790 3.109 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.307 1.906 5.465 1.00 0.00 H new ATOM 804 N TYR A 52 5.235 -2.932 -1.382 1.00 0.00 N ATOM 805 CA TYR A 52 5.139 -2.925 -2.834 1.00 0.00 C ATOM 806 C TYR A 52 4.760 -1.516 -3.328 1.00 0.00 C ATOM 807 O TYR A 52 4.224 -0.698 -2.570 1.00 0.00 O ATOM 808 CB TYR A 52 4.170 -4.012 -3.355 1.00 0.00 C ATOM 809 CG TYR A 52 3.786 -5.215 -2.490 1.00 0.00 C ATOM 810 CD1 TYR A 52 2.991 -5.075 -1.331 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.149 -6.507 -2.920 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.571 -6.216 -0.609 1.00 0.00 C ATOM 813 CE2 TYR A 52 3.727 -7.645 -2.208 1.00 0.00 C ATOM 814 CZ TYR A 52 2.941 -7.505 -1.050 1.00 0.00 C ATOM 815 OH TYR A 52 2.547 -8.617 -0.371 1.00 0.00 O ATOM 0 H TYR A 52 4.604 -2.269 -0.932 1.00 0.00 H new ATOM 0 HA TYR A 52 6.116 -3.176 -3.246 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.243 -3.507 -3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.600 -4.407 -4.275 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.702 -4.090 -0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.757 -6.625 -3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.968 -6.101 0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.008 -8.630 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 52 2.894 -9.415 -0.821 1.00 0.00 H new ATOM 825 N HIS A 53 5.014 -1.214 -4.606 1.00 0.00 N ATOM 826 CA HIS A 53 4.459 -0.007 -5.250 1.00 0.00 C ATOM 827 C HIS A 53 2.919 0.000 -5.168 1.00 0.00 C ATOM 828 O HIS A 53 2.297 -1.061 -5.065 1.00 0.00 O ATOM 829 CB HIS A 53 4.898 0.091 -6.723 1.00 0.00 C ATOM 830 CG HIS A 53 6.387 0.199 -6.968 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.244 -0.780 -7.486 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.108 1.343 -6.781 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.452 -0.204 -7.593 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.399 1.072 -7.179 1.00 0.00 N ATOM 0 H HIS A 53 5.598 -1.784 -5.218 1.00 0.00 H new ATOM 0 HA HIS A 53 4.848 0.857 -4.712 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.526 -0.787 -7.251 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.413 0.960 -7.168 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.737 2.281 -6.395 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.340 -0.697 -7.960 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.180 1.728 -7.162 1.00 0.00 H new ATOM 842 N PHE A 54 2.290 1.179 -5.249 1.00 0.00 N ATOM 843 CA PHE A 54 0.825 1.309 -5.163 1.00 0.00 C ATOM 844 C PHE A 54 0.077 0.388 -6.147 1.00 0.00 C ATOM 845 O PHE A 54 -0.907 -0.238 -5.765 1.00 0.00 O ATOM 846 CB PHE A 54 0.416 2.769 -5.404 1.00 0.00 C ATOM 847 CG PHE A 54 -1.081 2.976 -5.600 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.995 2.625 -4.584 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.570 3.467 -6.828 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.379 2.720 -4.812 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.955 3.585 -7.043 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.859 3.192 -6.043 1.00 0.00 C ATOM 0 H PHE A 54 2.776 2.067 -5.375 1.00 0.00 H new ATOM 0 HA PHE A 54 0.539 0.997 -4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.747 3.371 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.941 3.141 -6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.630 2.282 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.878 3.754 -7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.074 2.429 -4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.324 3.979 -7.979 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.922 3.253 -6.221 1.00 0.00 H new ATOM 862 N SER A 55 0.551 0.265 -7.391 1.00 0.00 N ATOM 863 CA SER A 55 -0.047 -0.586 -8.427 1.00 0.00 C ATOM 864 C SER A 55 0.317 -2.063 -8.239 1.00 0.00 C ATOM 865 O SER A 55 -0.557 -2.931 -8.323 1.00 0.00 O ATOM 866 CB SER A 55 0.393 -0.086 -9.806 1.00 0.00 C ATOM 867 OG SER A 55 1.802 0.093 -9.847 1.00 0.00 O ATOM 0 H SER A 55 1.379 0.765 -7.714 1.00 0.00 H new ATOM 0 HA SER A 55 -1.132 -0.519 -8.343 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.089 -0.800 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.105 0.856 -10.033 1.00 0.00 H new ATOM 0 HG SER A 55 2.066 0.411 -10.736 1.00 0.00 H new ATOM 873 N CYS A 56 1.583 -2.346 -7.910 1.00 0.00 N ATOM 874 CA CYS A 56 2.102 -3.684 -7.646 1.00 0.00 C ATOM 875 C CYS A 56 1.320 -4.429 -6.544 1.00 0.00 C ATOM 876 O CYS A 56 1.119 -5.635 -6.653 1.00 0.00 O ATOM 877 CB CYS A 56 3.572 -3.569 -7.230 1.00 0.00 C ATOM 878 SG CYS A 56 4.657 -3.110 -8.633 1.00 0.00 S ATOM 0 H CYS A 56 2.295 -1.621 -7.818 1.00 0.00 H new ATOM 0 HA CYS A 56 1.992 -4.264 -8.562 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.667 -2.823 -6.441 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.905 -4.519 -6.812 1.00 0.00 H new ATOM 0 HG CYS A 56 5.609 -2.333 -8.209 1.00 0.00 H new ATOM 883 N PHE A 57 0.843 -3.727 -5.511 1.00 0.00 N ATOM 884 CA PHE A 57 0.003 -4.275 -4.438 1.00 0.00 C ATOM 885 C PHE A 57 -1.202 -5.046 -4.996 1.00 0.00 C ATOM 886 O PHE A 57 -1.430 -6.210 -4.659 1.00 0.00 O ATOM 887 CB PHE A 57 -0.469 -3.124 -3.543 1.00 0.00 C ATOM 888 CG PHE A 57 -1.283 -3.605 -2.360 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.646 -3.923 -2.520 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.671 -3.777 -1.106 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.384 -4.432 -1.442 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.424 -4.234 -0.013 1.00 0.00 C ATOM 893 CZ PHE A 57 -2.775 -4.582 -0.184 1.00 0.00 C ATOM 0 H PHE A 57 1.036 -2.732 -5.394 1.00 0.00 H new ATOM 0 HA PHE A 57 0.595 -4.983 -3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.398 -2.570 -3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.068 -2.431 -4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.124 -3.774 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.379 -3.557 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.419 -4.708 -1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.965 -4.318 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.345 -4.964 0.650 1.00 0.00 H new ATOM 903 N TRP A 58 -1.954 -4.419 -5.903 1.00 0.00 N ATOM 904 CA TRP A 58 -3.131 -5.016 -6.535 1.00 0.00 C ATOM 905 C TRP A 58 -2.738 -6.027 -7.621 1.00 0.00 C ATOM 906 O TRP A 58 -3.472 -6.984 -7.871 1.00 0.00 O ATOM 907 CB TRP A 58 -4.027 -3.906 -7.089 1.00 0.00 C ATOM 908 CG TRP A 58 -4.242 -2.743 -6.164 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.555 -1.583 -6.212 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.154 -2.611 -5.028 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.922 -0.771 -5.158 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.925 -1.343 -4.405 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.157 -3.427 -4.465 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.661 -0.906 -3.294 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.893 -3.002 -3.343 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.652 -1.744 -2.765 1.00 0.00 C ATOM 0 H TRP A 58 -1.760 -3.470 -6.223 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.690 -5.575 -5.784 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.591 -3.537 -8.017 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.997 -4.335 -7.341 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.825 -1.327 -6.965 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.504 0.138 -4.961 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.364 -4.393 -4.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.467 0.061 -2.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.649 -3.648 -2.923 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.231 -1.423 -1.912 1.00 0.00 H new ATOM 927 N LYS A 59 -1.539 -5.882 -8.202 1.00 0.00 N ATOM 928 CA LYS A 59 -0.906 -6.842 -9.114 1.00 0.00 C ATOM 929 C LYS A 59 -0.570 -8.177 -8.431 1.00 0.00 C ATOM 930 O LYS A 59 -0.477 -9.193 -9.120 1.00 0.00 O ATOM 931 CB LYS A 59 0.351 -6.167 -9.690 1.00 0.00 C ATOM 932 CG LYS A 59 0.806 -6.666 -11.057 1.00 0.00 C ATOM 933 CD LYS A 59 -0.149 -6.268 -12.191 1.00 0.00 C ATOM 934 CE LYS A 59 0.606 -6.392 -13.516 1.00 0.00 C ATOM 935 NZ LYS A 59 -0.259 -6.065 -14.680 1.00 0.00 N ATOM 0 H LYS A 59 -0.960 -5.057 -8.042 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.603 -7.100 -9.911 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.165 -5.095 -9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.170 -6.304 -8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.799 -6.270 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.896 -7.752 -11.030 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.028 -6.913 -12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.503 -5.247 -12.049 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.468 -5.725 -13.506 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.989 -7.407 -13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.290 -6.161 -15.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.069 -6.717 -14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.604 -5.088 -14.592 1.00 0.00 H new ATOM 949 N VAL A 60 -0.438 -8.217 -7.096 1.00 0.00 N ATOM 950 CA VAL A 60 -0.377 -9.492 -6.334 1.00 0.00 C ATOM 951 C VAL A 60 -1.722 -10.253 -6.371 1.00 0.00 C ATOM 952 O VAL A 60 -1.751 -11.472 -6.199 1.00 0.00 O ATOM 953 CB VAL A 60 0.067 -9.283 -4.866 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.409 -10.605 -4.161 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.313 -8.405 -4.728 1.00 0.00 C ATOM 0 H VAL A 60 -0.371 -7.383 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 60 0.379 -10.098 -6.833 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.795 -8.798 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.714 -10.402 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.468 -11.253 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.223 -11.100 -4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.569 -8.300 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.145 -8.868 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.114 -7.421 -5.153 1.00 0.00 H new ATOM 965 N GLY A 61 -2.835 -9.559 -6.639 1.00 0.00 N ATOM 966 CA GLY A 61 -4.196 -10.112 -6.693 1.00 0.00 C ATOM 967 C GLY A 61 -5.060 -9.826 -5.454 1.00 0.00 C ATOM 968 O GLY A 61 -6.143 -10.402 -5.322 1.00 0.00 O ATOM 0 H GLY A 61 -2.812 -8.558 -6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.701 -9.710 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.129 -11.191 -6.830 1.00 0.00 H new ATOM 972 N HIS A 62 -4.606 -8.957 -4.542 1.00 0.00 N ATOM 973 CA HIS A 62 -5.356 -8.564 -3.338 1.00 0.00 C ATOM 974 C HIS A 62 -6.584 -7.695 -3.658 1.00 0.00 C ATOM 975 O HIS A 62 -6.576 -6.917 -4.613 1.00 0.00 O ATOM 976 CB HIS A 62 -4.434 -7.836 -2.350 1.00 0.00 C ATOM 977 CG HIS A 62 -3.314 -8.701 -1.828 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.460 -9.890 -1.108 1.00 0.00 N ATOM 979 CD2 HIS A 62 -1.988 -8.443 -1.992 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.210 -10.322 -0.859 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.309 -9.479 -1.390 1.00 0.00 N ATOM 0 H HIS A 62 -3.697 -8.501 -4.619 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.727 -9.483 -2.883 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.009 -6.960 -2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.027 -7.475 -1.509 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.553 -7.592 -2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.966 -11.219 -0.310 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.295 -9.588 -1.354 1.00 0.00 H new ATOM 989 N SER A 63 -7.619 -7.789 -2.815 1.00 0.00 N ATOM 990 CA SER A 63 -8.791 -6.895 -2.790 1.00 0.00 C ATOM 991 C SER A 63 -9.155 -6.567 -1.338 1.00 0.00 C ATOM 992 O SER A 63 -9.197 -7.459 -0.487 1.00 0.00 O ATOM 993 CB SER A 63 -9.998 -7.531 -3.494 1.00 0.00 C ATOM 994 OG SER A 63 -9.774 -7.647 -4.890 1.00 0.00 O ATOM 0 H SER A 63 -7.669 -8.517 -2.102 1.00 0.00 H new ATOM 0 HA SER A 63 -8.532 -5.981 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.192 -8.517 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.887 -6.927 -3.314 1.00 0.00 H new ATOM 0 HG SER A 63 -10.557 -8.056 -5.314 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.410 -5.291 -1.038 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.553 -4.772 0.333 1.00 0.00 C ATOM 1002 C ILE A 64 -11.025 -4.402 0.566 1.00 0.00 C ATOM 1003 O ILE A 64 -11.589 -3.566 -0.139 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.562 -3.605 0.574 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.098 -4.030 0.299 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.679 -3.063 2.007 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.084 -2.904 0.542 1.00 0.00 C ATOM 0 H ILE A 64 -9.526 -4.572 -1.752 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.290 -5.531 1.070 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.831 -2.815 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.848 -4.879 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.013 -4.370 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.972 -2.245 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.692 -2.699 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.456 -3.860 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.078 -3.268 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.310 -2.063 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.142 -2.580 1.581 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.664 -5.053 1.546 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.129 -5.005 1.760 1.00 0.00 C ATOM 1021 C ARG A 65 -13.604 -3.878 2.691 1.00 0.00 C ATOM 1022 O ARG A 65 -14.766 -3.478 2.633 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.677 -6.386 2.194 1.00 0.00 C ATOM 1024 CG ARG A 65 -12.824 -7.175 3.207 1.00 0.00 C ATOM 1025 CD ARG A 65 -11.829 -8.123 2.514 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.811 -8.605 3.466 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.499 -8.615 3.306 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -8.903 -8.264 2.204 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.715 -8.972 4.279 1.00 0.00 N ATOM 0 H ARG A 65 -11.178 -5.638 2.226 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.556 -4.754 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.669 -6.241 2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.802 -7.000 1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.277 -6.477 3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.479 -7.752 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.365 -8.971 2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.343 -7.605 1.687 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.160 -8.973 4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.454 -7.959 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.885 -8.294 2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.111 -9.248 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.704 -8.976 4.144 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.701 -3.353 3.518 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.914 -2.212 4.425 1.00 0.00 C ATOM 1045 C HIS A 66 -11.614 -1.401 4.583 1.00 0.00 C ATOM 1046 O HIS A 66 -10.922 -1.504 5.598 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.551 -2.670 5.755 1.00 0.00 C ATOM 1048 CG HIS A 66 -12.993 -3.886 6.473 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.646 -4.524 7.534 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -11.832 -4.559 6.215 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -12.867 -5.559 7.888 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -11.774 -5.607 7.109 1.00 0.00 N ATOM 0 H HIS A 66 -11.754 -3.725 3.581 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.639 -1.526 3.987 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.500 -1.830 6.448 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.607 -2.861 5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.101 -4.317 5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.088 -6.253 8.685 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.028 -6.300 7.169 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.219 -0.633 3.548 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.869 -0.078 3.450 1.00 0.00 C ATOM 1062 C PRO A 67 -9.527 0.956 4.522 1.00 0.00 C ATOM 1063 O PRO A 67 -8.418 0.934 5.039 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.752 0.493 2.030 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.204 0.764 1.643 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.953 -0.377 2.316 1.00 0.00 C ATOM 0 HA PRO A 67 -9.137 -0.864 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.153 1.404 2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.279 -0.215 1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.543 1.736 2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.342 0.756 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.988 -0.103 2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.978 -1.262 1.680 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.466 1.799 4.950 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.215 2.770 6.028 1.00 0.00 C ATOM 1076 C ASP A 68 -10.114 2.112 7.423 1.00 0.00 C ATOM 1077 O ASP A 68 -9.721 2.770 8.391 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.231 3.918 5.966 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.682 3.449 6.116 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -13.170 3.304 7.260 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.338 3.244 5.065 1.00 0.00 O ATOM 0 H ASP A 68 -11.412 1.833 4.569 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.229 3.203 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.005 4.637 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.121 4.441 5.016 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.439 0.813 7.529 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.291 -0.002 8.744 1.00 0.00 C ATOM 1088 C VAL A 69 -8.949 -0.744 8.749 1.00 0.00 C ATOM 1089 O VAL A 69 -8.268 -0.770 9.776 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.461 -1.000 8.895 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.409 -1.743 10.235 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.825 -0.301 8.803 1.00 0.00 C ATOM 0 H VAL A 69 -10.824 0.285 6.746 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.311 0.675 9.598 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.349 -1.707 8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.249 -2.434 10.300 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.475 -2.300 10.306 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.466 -1.024 11.052 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.620 -1.038 8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.907 0.443 9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.918 0.189 7.834 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.549 -1.331 7.614 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.374 -2.221 7.535 1.00 0.00 C ATOM 1104 C GLU A 70 -6.111 -1.609 6.911 1.00 0.00 C ATOM 1105 O GLU A 70 -5.013 -2.065 7.225 1.00 0.00 O ATOM 1106 CB GLU A 70 -7.749 -3.519 6.802 1.00 0.00 C ATOM 1107 CG GLU A 70 -8.603 -4.470 7.651 1.00 0.00 C ATOM 1108 CD GLU A 70 -7.867 -5.017 8.893 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -6.621 -5.155 8.862 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -8.548 -5.334 9.899 1.00 0.00 O ATOM 0 H GLU A 70 -9.028 -1.205 6.722 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.102 -2.417 8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.292 -3.270 5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.837 -4.033 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.503 -3.947 7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.925 -5.307 7.032 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.231 -0.585 6.061 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.098 0.181 5.511 1.00 0.00 C ATOM 1119 C VAL A 71 -4.627 1.222 6.528 1.00 0.00 C ATOM 1120 O VAL A 71 -5.163 2.323 6.652 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.423 0.789 4.142 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.139 1.353 3.553 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.924 -0.278 3.160 1.00 0.00 C ATOM 0 H VAL A 71 -7.136 -0.255 5.726 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.270 -0.505 5.333 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.192 1.549 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.348 1.791 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.740 2.120 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.407 0.553 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.145 0.187 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.155 -1.039 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.828 -0.741 3.556 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.571 0.863 7.246 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.764 1.753 8.075 1.00 0.00 C ATOM 1135 C ASP A 72 -2.089 2.848 7.223 1.00 0.00 C ATOM 1136 O ASP A 72 -1.719 2.618 6.075 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.751 0.865 8.806 1.00 0.00 C ATOM 1138 CG ASP A 72 -0.825 1.593 9.779 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.234 2.602 10.395 1.00 0.00 O ATOM 1140 OD2 ASP A 72 0.325 1.114 9.935 1.00 0.00 O ATOM 0 H ASP A 72 -3.237 -0.101 7.268 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.377 2.292 8.798 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.296 0.097 9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.140 0.353 8.063 1.00 0.00 H new ATOM 1145 N GLY A 73 -1.959 4.061 7.754 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.367 5.210 7.052 1.00 0.00 C ATOM 1147 C GLY A 73 -2.292 5.891 6.031 1.00 0.00 C ATOM 1148 O GLY A 73 -1.947 6.949 5.507 1.00 0.00 O ATOM 0 H GLY A 73 -2.266 4.283 8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.059 5.949 7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.465 4.878 6.538 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.506 5.370 5.809 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.541 5.990 4.966 1.00 0.00 C ATOM 1154 C PHE A 74 -4.886 7.422 5.416 1.00 0.00 C ATOM 1155 O PHE A 74 -5.132 8.299 4.586 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.772 5.073 4.998 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.959 5.537 4.179 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.993 5.299 2.791 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -8.052 6.168 4.807 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.113 5.691 2.038 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.170 6.560 4.051 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.197 6.327 2.668 1.00 0.00 C ATOM 0 H PHE A 74 -3.804 4.485 6.219 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.170 6.092 3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.475 4.085 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.091 4.960 6.034 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.158 4.815 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.030 6.351 5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.141 5.504 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.008 7.040 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.052 6.637 2.086 1.00 0.00 H new ATOM 1172 N SER A 75 -4.814 7.691 6.722 1.00 0.00 N ATOM 1173 CA SER A 75 -5.012 9.020 7.326 1.00 0.00 C ATOM 1174 C SER A 75 -3.888 10.028 7.024 1.00 0.00 C ATOM 1175 O SER A 75 -4.087 11.231 7.195 1.00 0.00 O ATOM 1176 CB SER A 75 -5.152 8.876 8.848 1.00 0.00 C ATOM 1177 OG SER A 75 -6.183 7.954 9.174 1.00 0.00 O ATOM 0 H SER A 75 -4.610 6.970 7.414 1.00 0.00 H new ATOM 0 HA SER A 75 -5.919 9.420 6.874 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.207 8.538 9.274 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.373 9.847 9.291 1.00 0.00 H new ATOM 0 HG SER A 75 -6.255 7.875 10.148 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.717 9.569 6.564 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.566 10.420 6.211 1.00 0.00 C ATOM 1185 C GLU A 76 -1.586 10.881 4.740 1.00 0.00 C ATOM 1186 O GLU A 76 -0.868 11.815 4.375 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.244 9.700 6.529 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.107 9.260 7.996 1.00 0.00 C ATOM 1189 CD GLU A 76 -0.156 10.450 8.977 1.00 0.00 C ATOM 1190 OE1 GLU A 76 0.778 11.288 8.969 1.00 0.00 O ATOM 1191 OE2 GLU A 76 -1.120 10.547 9.774 1.00 0.00 O ATOM 0 H GLU A 76 -2.536 8.575 6.423 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.645 11.319 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.157 8.823 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.586 10.361 6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.907 8.560 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.834 8.725 8.125 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.427 10.259 3.904 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.707 10.672 2.524 1.00 0.00 C ATOM 1200 C LEU A 77 -3.508 11.992 2.466 1.00 0.00 C ATOM 1201 O LEU A 77 -3.911 12.550 3.493 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.489 9.549 1.813 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.810 8.174 1.706 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.765 7.234 0.964 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.487 8.225 0.942 1.00 0.00 C ATOM 0 H LEU A 77 -2.948 9.427 4.179 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.756 10.849 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.437 9.417 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.724 9.888 0.804 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.590 7.827 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.308 6.249 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.699 7.151 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.968 7.632 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.053 7.226 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.665 8.588 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.798 8.898 1.452 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.783 12.487 1.254 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.800 13.521 0.983 1.00 0.00 C ATOM 1219 C ARG A 78 -5.990 12.967 0.210 1.00 0.00 C ATOM 1220 O ARG A 78 -5.953 11.843 -0.296 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.158 14.754 0.314 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.164 15.472 1.242 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.828 16.005 2.525 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.827 16.582 3.442 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.048 15.919 4.282 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -2.141 14.631 4.457 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.139 16.548 4.969 1.00 0.00 N ATOM 0 H ARG A 78 -3.297 12.176 0.413 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.208 13.855 1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.643 14.444 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.941 15.451 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.363 14.784 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.705 16.301 0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.568 16.762 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.360 15.196 3.025 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.725 17.597 3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.835 14.094 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.520 14.160 5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.025 17.556 4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.541 16.033 5.615 1.00 0.00 H new ATOM 1241 N TRP A 79 -7.067 13.752 0.175 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.408 13.279 -0.184 1.00 0.00 C ATOM 1243 C TRP A 79 -8.467 12.601 -1.566 1.00 0.00 C ATOM 1244 O TRP A 79 -9.182 11.613 -1.731 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.423 14.433 -0.048 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.354 14.646 -1.204 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.598 14.130 -1.337 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.106 15.400 -2.431 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.133 14.516 -2.553 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.256 15.302 -3.269 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.008 16.135 -2.925 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.320 15.920 -4.528 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.058 16.759 -4.185 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.211 16.656 -4.987 1.00 0.00 C ATOM 0 H TRP A 79 -7.034 14.747 0.398 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.680 12.493 0.520 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.023 14.256 0.845 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.869 15.357 0.118 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.097 13.511 -0.606 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.062 14.251 -2.880 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.114 16.220 -2.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.208 15.832 -5.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.206 17.321 -4.540 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.244 17.140 -5.952 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.679 13.074 -2.538 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.680 12.527 -3.899 1.00 0.00 C ATOM 1267 C ASP A 80 -7.019 11.138 -3.998 1.00 0.00 C ATOM 1268 O ASP A 80 -7.424 10.313 -4.817 1.00 0.00 O ATOM 1269 CB ASP A 80 -7.028 13.513 -4.874 1.00 0.00 C ATOM 1270 CG ASP A 80 -7.260 13.085 -6.335 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.424 12.792 -6.704 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -6.283 13.067 -7.122 1.00 0.00 O ATOM 0 H ASP A 80 -7.024 13.845 -2.404 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.725 12.386 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.437 14.511 -4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.958 13.572 -4.675 1.00 0.00 H new ATOM 1277 N ASP A 81 -6.035 10.844 -3.144 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.438 9.515 -3.021 1.00 0.00 C ATOM 1279 C ASP A 81 -6.291 8.624 -2.119 1.00 0.00 C ATOM 1280 O ASP A 81 -6.446 7.451 -2.430 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.994 9.603 -2.514 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.046 10.120 -3.601 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.834 9.394 -4.604 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.495 11.233 -3.435 1.00 0.00 O ATOM 0 H ASP A 81 -5.627 11.532 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.409 9.061 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.951 10.264 -1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.664 8.619 -2.180 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.926 9.161 -1.072 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.885 8.414 -0.252 1.00 0.00 C ATOM 1291 C GLN A 82 -9.057 7.891 -1.091 1.00 0.00 C ATOM 1292 O GLN A 82 -9.310 6.686 -1.100 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.399 9.295 0.897 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.333 9.459 1.985 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.731 10.424 3.101 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.626 11.251 2.982 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.055 10.377 4.227 1.00 0.00 N ATOM 0 H GLN A 82 -6.790 10.125 -0.769 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.367 7.550 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.682 10.274 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.297 8.850 1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.120 8.483 2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.410 9.812 1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.306 9.695 4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.279 11.023 4.984 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.726 8.751 -1.868 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.868 8.331 -2.689 1.00 0.00 C ATOM 1308 C GLN A 83 -10.471 7.337 -3.792 1.00 0.00 C ATOM 1309 O GLN A 83 -11.261 6.462 -4.134 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.629 9.553 -3.239 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.908 10.337 -4.353 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.638 11.619 -4.767 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.772 11.891 -4.387 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -11.043 12.464 -5.583 1.00 0.00 N ATOM 0 H GLN A 83 -9.496 9.742 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.552 7.786 -2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.593 9.217 -3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.833 10.234 -2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.904 10.593 -4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.796 9.694 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.100 12.270 -5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.525 13.313 -5.879 1.00 0.00 H new ATOM 1323 N LYS A 84 -9.236 7.405 -4.306 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.711 6.533 -5.358 1.00 0.00 C ATOM 1325 C LYS A 84 -8.173 5.226 -4.782 1.00 0.00 C ATOM 1326 O LYS A 84 -8.392 4.194 -5.397 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.676 7.343 -6.151 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.940 6.570 -7.258 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.523 6.187 -6.816 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.627 7.433 -6.719 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.304 7.128 -6.125 1.00 0.00 N ATOM 0 H LYS A 84 -8.554 8.093 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.499 6.218 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.178 8.199 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.937 7.737 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.501 5.670 -7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.890 7.180 -8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.562 5.685 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.094 5.479 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.488 7.856 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.127 8.192 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.995 7.928 -5.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.376 6.273 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.611 6.968 -6.884 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.571 5.214 -3.589 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.240 3.967 -2.862 1.00 0.00 C ATOM 1347 C VAL A 85 -8.526 3.211 -2.519 1.00 0.00 C ATOM 1348 O VAL A 85 -8.609 2.012 -2.781 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.395 4.244 -1.594 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.265 3.039 -0.643 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.966 4.659 -1.963 1.00 0.00 C ATOM 0 H VAL A 85 -7.296 6.062 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.628 3.344 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.938 5.040 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.658 3.319 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.255 2.733 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.789 2.211 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.395 4.847 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.490 3.860 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.995 5.566 -2.567 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.571 3.903 -2.040 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.888 3.288 -1.790 1.00 0.00 C ATOM 1363 C LYS A 86 -11.571 2.818 -3.080 1.00 0.00 C ATOM 1364 O LYS A 86 -12.104 1.710 -3.108 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.787 4.227 -0.966 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.241 4.414 0.463 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.232 5.024 1.470 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.477 4.149 1.625 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.303 4.528 2.799 1.00 0.00 N ATOM 0 H LYS A 86 -9.530 4.897 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.718 2.389 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.855 5.196 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.797 3.820 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.916 3.444 0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.357 5.051 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.744 5.141 2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.524 6.020 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.082 4.223 0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.173 3.107 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.277 4.189 2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.904 4.098 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.308 5.563 2.901 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.484 3.576 -4.180 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.996 3.137 -5.495 1.00 0.00 C ATOM 1385 C LYS A 87 -11.226 1.952 -6.064 1.00 0.00 C ATOM 1386 O LYS A 87 -11.836 1.026 -6.585 1.00 0.00 O ATOM 1387 CB LYS A 87 -12.022 4.313 -6.489 1.00 0.00 C ATOM 1388 CG LYS A 87 -13.230 5.233 -6.255 1.00 0.00 C ATOM 1389 CD LYS A 87 -14.502 4.580 -6.802 1.00 0.00 C ATOM 1390 CE LYS A 87 -15.761 5.245 -6.234 1.00 0.00 C ATOM 1391 NZ LYS A 87 -16.920 4.319 -6.283 1.00 0.00 N ATOM 0 H LYS A 87 -11.061 4.504 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.017 2.791 -5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.102 4.890 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.051 3.927 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.344 5.433 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.066 6.193 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.510 4.651 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.505 3.519 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.581 5.553 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.988 6.147 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.711 4.725 -5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.211 4.179 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.651 3.404 -5.868 1.00 0.00 H new ATOM 1405 N THR A 88 -9.911 1.920 -5.888 1.00 0.00 N ATOM 1406 CA THR A 88 -9.048 0.794 -6.270 1.00 0.00 C ATOM 1407 C THR A 88 -9.330 -0.456 -5.425 1.00 0.00 C ATOM 1408 O THR A 88 -9.276 -1.568 -5.946 1.00 0.00 O ATOM 1409 CB THR A 88 -7.564 1.179 -6.209 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.334 2.348 -6.960 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.706 0.126 -6.888 1.00 0.00 C ATOM 0 H THR A 88 -9.396 2.693 -5.466 1.00 0.00 H new ATOM 0 HA THR A 88 -9.287 0.547 -7.305 1.00 0.00 H new ATOM 0 HB THR A 88 -7.317 1.297 -5.154 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.573 3.133 -6.425 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.658 0.420 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.841 -0.832 -6.386 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.002 0.034 -7.933 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.733 -0.287 -4.162 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.151 -1.362 -3.273 1.00 0.00 C ATOM 1421 C ALA A 89 -11.504 -1.955 -3.706 1.00 0.00 C ATOM 1422 O ALA A 89 -11.683 -3.174 -3.665 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.183 -0.810 -1.845 1.00 0.00 C ATOM 0 H ALA A 89 -9.777 0.632 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.441 -2.188 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.494 -1.597 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.189 -0.458 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.889 0.019 -1.791 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.424 -1.117 -4.207 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.664 -1.584 -4.845 1.00 0.00 C ATOM 1431 C GLU A 90 -13.412 -2.252 -6.213 1.00 0.00 C ATOM 1432 O GLU A 90 -14.041 -3.259 -6.547 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.673 -0.434 -5.027 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.251 0.113 -3.716 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.405 1.103 -3.985 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -16.212 2.102 -4.720 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.526 0.886 -3.461 1.00 0.00 O ATOM 0 H GLU A 90 -12.330 -0.102 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.080 -2.331 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.185 0.380 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.493 -0.782 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.612 -0.712 -3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.465 0.612 -3.149 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.487 -1.699 -7.001 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.172 -2.114 -8.370 1.00 0.00 C ATOM 1446 C ALA A 91 -11.278 -3.370 -8.461 1.00 0.00 C ATOM 1447 O ALA A 91 -11.262 -4.044 -9.494 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.514 -0.909 -9.060 1.00 0.00 C ATOM 0 H ALA A 91 -11.912 -0.916 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.095 -2.410 -8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.260 -1.172 -10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.207 -0.067 -9.061 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.607 -0.632 -8.522 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.527 -3.687 -7.400 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.558 -4.790 -7.355 1.00 0.00 C ATOM 1456 C GLY A 92 -8.227 -4.509 -8.074 1.00 0.00 C ATOM 1457 O GLY A 92 -7.461 -5.445 -8.311 1.00 0.00 O ATOM 0 H GLY A 92 -10.578 -3.169 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.348 -5.028 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.015 -5.675 -7.799 1.00 0.00 H new ATOM 1461 N GLY A 93 -7.943 -3.249 -8.437 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.673 -2.826 -9.032 1.00 0.00 C ATOM 1463 C GLY A 93 -6.768 -1.666 -10.028 1.00 0.00 C ATOM 1464 O GLY A 93 -7.747 -1.514 -10.761 1.00 0.00 O ATOM 0 H GLY A 93 -8.606 -2.482 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.993 -2.539 -8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.226 -3.681 -9.538 1.00 0.00 H new