USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 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 152:sc= 0.873 USER MOD Set 1.2: A 24 CYS SG : rot -57:sc= 0.773 USER MOD Set 1.3: A 53 HIS : no HD1:sc= 0.268 K(o=3.8,f=3) USER MOD Set 1.4: A 56 CYS SG : rot 141:sc= 0.529 USER MOD Set 1.5: A 59 LYS NZ :NH3+ 135:sc= 1.35 (180deg=0) USER MOD Set 2.1: A 20 SER OG : rot -57:sc= 0.458 USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0.43 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.12) USER MOD Single : A 9 TYR OH : rot -146:sc= 0.756 USER MOD Single : A 13 TYR OH : rot 4:sc= 1.87 USER MOD Single : A 15 LYS NZ :NH3+ -148:sc= 1.1 (180deg=0.437) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -175:sc= -0.0126 (180deg=-0.0423) USER MOD Single : A 38 MET CE :methyl -168:sc= -1.81 (180deg=-2.32) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 41 SER OG : rot 31:sc= 0.693 USER MOD Single : A 43 MET CE :methyl -166:sc=-0.00285 (180deg=-0.118) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=-0.27) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00516 USER MOD Single : A 62 HIS : no HD1:sc= -0.978 X(o=-0.98,f=-1.1) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.051) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0169 USER MOD Single : A 82 GLN : amide:sc= 1.07 K(o=1.1,f=-0.43) USER MOD Single : A 83 GLN : amide:sc= 0.644 K(o=0.64,f=-0.082) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= 1.2 (180deg=0.934) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.08) USER MOD Single : A 87 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.08) USER MOD Single : A 88 THR OG1 : rot 76:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -4.188 -5.097 11.546 1.00 0.00 N ATOM 80 CA LYS A 7 -4.552 -4.647 10.199 1.00 0.00 C ATOM 81 C LYS A 7 -3.510 -5.185 9.226 1.00 0.00 C ATOM 82 O LYS A 7 -2.309 -4.988 9.401 1.00 0.00 O ATOM 83 CB LYS A 7 -4.735 -3.116 10.062 1.00 0.00 C ATOM 84 CG LYS A 7 -4.788 -2.271 11.346 1.00 0.00 C ATOM 85 CD LYS A 7 -3.396 -2.064 11.955 1.00 0.00 C ATOM 86 CE LYS A 7 -3.486 -1.094 13.139 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.165 -0.511 13.482 1.00 0.00 N ATOM 0 HA LYS A 7 -5.539 -5.046 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.918 -2.737 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.658 -2.939 9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.234 -1.302 11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.434 -2.760 12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.988 -3.019 12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.714 -1.670 11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.185 -0.293 12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.888 -1.617 14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.286 0.213 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.535 -1.260 13.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.747 -0.077 12.635 1.00 0.00 H new ATOM 101 N LEU A 8 -3.999 -5.906 8.230 1.00 0.00 N ATOM 102 CA LEU A 8 -3.240 -6.691 7.267 1.00 0.00 C ATOM 103 C LEU A 8 -2.636 -5.862 6.127 1.00 0.00 C ATOM 104 O LEU A 8 -1.772 -6.385 5.429 1.00 0.00 O ATOM 105 CB LEU A 8 -4.107 -7.861 6.763 1.00 0.00 C ATOM 106 CG LEU A 8 -5.352 -7.495 5.926 1.00 0.00 C ATOM 107 CD1 LEU A 8 -5.883 -8.760 5.251 1.00 0.00 C ATOM 108 CD2 LEU A 8 -6.502 -6.887 6.738 1.00 0.00 C ATOM 0 H LEU A 8 -5.003 -5.963 8.061 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.369 -7.095 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.476 -8.518 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.436 -8.437 7.628 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.023 -6.739 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.763 -8.513 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.113 -9.177 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.153 -9.493 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.336 -6.659 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.827 -7.598 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.162 -5.971 7.220 1.00 0.00 H new ATOM 120 N TYR A 9 -3.029 -4.594 5.954 1.00 0.00 N ATOM 121 CA TYR A 9 -2.565 -3.736 4.866 1.00 0.00 C ATOM 122 C TYR A 9 -2.021 -2.413 5.416 1.00 0.00 C ATOM 123 O TYR A 9 -2.377 -1.978 6.512 1.00 0.00 O ATOM 124 CB TYR A 9 -3.699 -3.510 3.849 1.00 0.00 C ATOM 125 CG TYR A 9 -4.354 -4.761 3.279 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.565 -5.828 2.816 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.758 -4.853 3.196 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.160 -6.979 2.267 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.364 -6.005 2.655 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.565 -7.065 2.170 1.00 0.00 C ATOM 131 OH TYR A 9 -6.133 -8.157 1.593 1.00 0.00 O ATOM 0 H TYR A 9 -3.689 -4.131 6.579 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.745 -4.232 4.346 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.471 -2.907 4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.303 -2.923 3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.489 -5.764 2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.372 -4.037 3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.543 -7.795 1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.441 -6.078 2.611 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.945 -7.889 1.115 1.00 0.00 H new ATOM 141 N ARG A 10 -1.156 -1.765 4.639 1.00 0.00 N ATOM 142 CA ARG A 10 -0.481 -0.498 4.945 1.00 0.00 C ATOM 143 C ARG A 10 -0.432 0.362 3.679 1.00 0.00 C ATOM 144 O ARG A 10 -0.284 -0.190 2.593 1.00 0.00 O ATOM 145 CB ARG A 10 0.921 -0.819 5.510 1.00 0.00 C ATOM 146 CG ARG A 10 1.948 0.330 5.612 1.00 0.00 C ATOM 147 CD ARG A 10 1.539 1.357 6.675 1.00 0.00 C ATOM 148 NE ARG A 10 2.428 2.531 6.758 1.00 0.00 N ATOM 149 CZ ARG A 10 2.187 3.606 7.491 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.238 3.695 8.371 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.909 4.673 7.372 1.00 0.00 N ATOM 0 H ARG A 10 -0.889 -2.129 3.724 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.021 0.075 5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.790 -1.238 6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.358 -1.602 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.929 -0.078 5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.041 0.823 4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.525 1.698 6.463 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.514 0.866 7.648 1.00 0.00 H new ATOM 0 HE ARG A 10 3.289 2.513 6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.618 2.902 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.112 4.558 8.900 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.680 4.695 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.708 5.492 7.946 1.00 0.00 H new ATOM 165 N VAL A 11 -0.538 1.683 3.799 1.00 0.00 N ATOM 166 CA VAL A 11 -0.310 2.662 2.720 1.00 0.00 C ATOM 167 C VAL A 11 0.388 3.919 3.248 1.00 0.00 C ATOM 168 O VAL A 11 0.157 4.325 4.387 1.00 0.00 O ATOM 169 CB VAL A 11 -1.641 3.006 2.025 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.526 3.961 2.838 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.423 3.647 0.648 1.00 0.00 C ATOM 0 H VAL A 11 -0.795 2.126 4.681 1.00 0.00 H new ATOM 0 HA VAL A 11 0.355 2.213 1.982 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.146 2.045 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.446 4.160 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.767 3.505 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.993 4.897 3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.388 3.873 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.851 4.568 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.874 2.956 0.008 1.00 0.00 H new ATOM 181 N GLU A 12 1.244 4.542 2.436 1.00 0.00 N ATOM 182 CA GLU A 12 1.905 5.812 2.763 1.00 0.00 C ATOM 183 C GLU A 12 2.512 6.514 1.550 1.00 0.00 C ATOM 184 O GLU A 12 2.845 5.902 0.531 1.00 0.00 O ATOM 185 CB GLU A 12 3.017 5.592 3.813 1.00 0.00 C ATOM 186 CG GLU A 12 4.163 4.688 3.327 1.00 0.00 C ATOM 187 CD GLU A 12 5.258 4.516 4.390 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.924 4.265 5.571 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.456 4.604 4.029 1.00 0.00 O ATOM 0 H GLU A 12 1.503 4.176 1.520 1.00 0.00 H new ATOM 0 HA GLU A 12 1.120 6.456 3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.428 6.560 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.576 5.154 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.763 3.710 3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.600 5.113 2.423 1.00 0.00 H new ATOM 196 N TYR A 13 2.743 7.811 1.731 1.00 0.00 N ATOM 197 CA TYR A 13 3.733 8.555 0.968 1.00 0.00 C ATOM 198 C TYR A 13 5.151 8.198 1.432 1.00 0.00 C ATOM 199 O TYR A 13 5.462 8.226 2.625 1.00 0.00 O ATOM 200 CB TYR A 13 3.463 10.052 1.123 1.00 0.00 C ATOM 201 CG TYR A 13 2.058 10.502 0.763 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.416 10.001 -0.386 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.408 11.455 1.569 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.180 10.536 -0.794 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.159 11.974 1.182 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.443 11.536 -0.016 1.00 0.00 C ATOM 207 OH TYR A 13 -1.627 12.073 -0.404 1.00 0.00 O ATOM 0 H TYR A 13 2.243 8.377 2.417 1.00 0.00 H new ATOM 0 HA TYR A 13 3.657 8.288 -0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.663 10.335 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.172 10.598 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.873 9.205 -0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.869 11.789 2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.291 10.183 -1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.338 12.706 1.801 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.944 11.617 -1.211 1.00 0.00 H new ATOM 217 N ALA A 14 6.024 7.876 0.481 1.00 0.00 N ATOM 218 CA ALA A 14 7.410 7.503 0.724 1.00 0.00 C ATOM 219 C ALA A 14 8.286 8.740 1.000 1.00 0.00 C ATOM 220 O ALA A 14 8.515 9.554 0.104 1.00 0.00 O ATOM 221 CB ALA A 14 7.881 6.710 -0.501 1.00 0.00 C ATOM 0 H ALA A 14 5.777 7.868 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 14 7.497 6.887 1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.919 6.409 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.259 5.823 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.800 7.334 -1.391 1.00 0.00 H new ATOM 227 N LYS A 15 8.819 8.871 2.224 1.00 0.00 N ATOM 228 CA LYS A 15 9.756 9.952 2.607 1.00 0.00 C ATOM 229 C LYS A 15 11.208 9.668 2.188 1.00 0.00 C ATOM 230 O LYS A 15 11.972 10.606 1.958 1.00 0.00 O ATOM 231 CB LYS A 15 9.615 10.218 4.122 1.00 0.00 C ATOM 232 CG LYS A 15 10.569 11.288 4.688 1.00 0.00 C ATOM 233 CD LYS A 15 10.335 12.711 4.141 1.00 0.00 C ATOM 234 CE LYS A 15 11.636 13.528 4.151 1.00 0.00 C ATOM 235 NZ LYS A 15 12.471 13.236 2.956 1.00 0.00 N ATOM 0 H LYS A 15 8.613 8.226 2.987 1.00 0.00 H new ATOM 0 HA LYS A 15 9.488 10.856 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.589 10.522 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.784 9.283 4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.468 11.309 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.595 10.993 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.946 12.654 3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.580 13.216 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.399 14.592 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.201 13.303 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.477 13.325 3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.280 12.268 2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.241 13.911 2.199 1.00 0.00 H new ATOM 249 N SER A 16 11.586 8.396 2.075 1.00 0.00 N ATOM 250 CA SER A 16 12.913 7.932 1.643 1.00 0.00 C ATOM 251 C SER A 16 12.822 6.539 1.004 1.00 0.00 C ATOM 252 O SER A 16 11.910 5.761 1.309 1.00 0.00 O ATOM 253 CB SER A 16 13.875 7.925 2.836 1.00 0.00 C ATOM 254 OG SER A 16 15.188 7.625 2.395 1.00 0.00 O ATOM 0 H SER A 16 10.954 7.625 2.290 1.00 0.00 H new ATOM 0 HA SER A 16 13.297 8.618 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.861 8.896 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.551 7.188 3.571 1.00 0.00 H new ATOM 0 HG SER A 16 15.798 7.624 3.162 1.00 0.00 H new ATOM 260 N GLY A 17 13.767 6.207 0.122 1.00 0.00 N ATOM 261 CA GLY A 17 13.798 4.972 -0.676 1.00 0.00 C ATOM 262 C GLY A 17 14.281 3.721 0.075 1.00 0.00 C ATOM 263 O GLY A 17 15.022 2.913 -0.488 1.00 0.00 O ATOM 0 H GLY A 17 14.565 6.813 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.796 4.781 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.445 5.131 -1.538 1.00 0.00 H new ATOM 267 N ARG A 18 13.914 3.579 1.357 1.00 0.00 N ATOM 268 CA ARG A 18 14.350 2.483 2.249 1.00 0.00 C ATOM 269 C ARG A 18 13.574 1.172 2.051 1.00 0.00 C ATOM 270 O ARG A 18 14.080 0.108 2.411 1.00 0.00 O ATOM 271 CB ARG A 18 14.262 2.941 3.718 1.00 0.00 C ATOM 272 CG ARG A 18 15.086 4.199 4.062 1.00 0.00 C ATOM 273 CD ARG A 18 16.579 4.108 3.711 1.00 0.00 C ATOM 274 NE ARG A 18 17.259 3.015 4.435 1.00 0.00 N ATOM 275 CZ ARG A 18 18.505 2.608 4.263 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.302 3.160 3.391 1.00 0.00 N ATOM 277 NH2 ARG A 18 18.982 1.626 4.974 1.00 0.00 N ATOM 0 H ARG A 18 13.289 4.239 1.819 1.00 0.00 H new ATOM 0 HA ARG A 18 15.383 2.260 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.217 3.133 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.593 2.123 4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.656 5.052 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.990 4.398 5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.689 3.953 2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.064 5.055 3.948 1.00 0.00 H new ATOM 0 HE ARG A 18 16.711 2.523 5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.970 3.933 2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.258 2.819 3.286 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.393 1.166 5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.944 1.317 4.836 1.00 0.00 H new ATOM 291 N ALA A 19 12.367 1.239 1.487 1.00 0.00 N ATOM 292 CA ALA A 19 11.526 0.083 1.176 1.00 0.00 C ATOM 293 C ALA A 19 11.798 -0.462 -0.240 1.00 0.00 C ATOM 294 O ALA A 19 12.036 0.306 -1.176 1.00 0.00 O ATOM 295 CB ALA A 19 10.058 0.478 1.363 1.00 0.00 C ATOM 0 H ALA A 19 11.935 2.126 1.226 1.00 0.00 H new ATOM 0 HA ALA A 19 11.769 -0.730 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.420 -0.375 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.893 0.788 2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.815 1.303 0.693 1.00 0.00 H new ATOM 301 N SER A 20 11.697 -1.783 -0.411 1.00 0.00 N ATOM 302 CA SER A 20 11.909 -2.478 -1.692 1.00 0.00 C ATOM 303 C SER A 20 10.739 -3.408 -2.020 1.00 0.00 C ATOM 304 O SER A 20 10.081 -3.927 -1.115 1.00 0.00 O ATOM 305 CB SER A 20 13.237 -3.247 -1.703 1.00 0.00 C ATOM 306 OG SER A 20 14.334 -2.402 -1.385 1.00 0.00 O ATOM 0 H SER A 20 11.460 -2.417 0.352 1.00 0.00 H new ATOM 0 HA SER A 20 11.961 -1.715 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.189 -4.067 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.392 -3.691 -2.686 1.00 0.00 H new ATOM 0 HG SER A 20 14.365 -1.654 -2.017 1.00 0.00 H new ATOM 312 N CYS A 21 10.462 -3.594 -3.312 1.00 0.00 N ATOM 313 CA CYS A 21 9.218 -4.179 -3.799 1.00 0.00 C ATOM 314 C CYS A 21 9.269 -5.713 -3.825 1.00 0.00 C ATOM 315 O CYS A 21 10.147 -6.319 -4.447 1.00 0.00 O ATOM 316 CB CYS A 21 8.947 -3.567 -5.169 1.00 0.00 C ATOM 317 SG CYS A 21 7.292 -4.020 -5.794 1.00 0.00 S ATOM 0 H CYS A 21 11.108 -3.337 -4.059 1.00 0.00 H new ATOM 0 HA CYS A 21 8.394 -3.950 -3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.028 -2.482 -5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.707 -3.903 -5.875 1.00 0.00 H new ATOM 0 HG CYS A 21 6.854 -3.083 -6.581 1.00 0.00 H new ATOM 322 N LYS A 22 8.304 -6.352 -3.157 1.00 0.00 N ATOM 323 CA LYS A 22 8.230 -7.817 -3.000 1.00 0.00 C ATOM 324 C LYS A 22 7.615 -8.539 -4.207 1.00 0.00 C ATOM 325 O LYS A 22 7.648 -9.770 -4.255 1.00 0.00 O ATOM 326 CB LYS A 22 7.462 -8.145 -1.706 1.00 0.00 C ATOM 327 CG LYS A 22 8.050 -7.499 -0.443 1.00 0.00 C ATOM 328 CD LYS A 22 9.399 -8.080 -0.003 1.00 0.00 C ATOM 329 CE LYS A 22 9.270 -9.533 0.477 1.00 0.00 C ATOM 330 NZ LYS A 22 10.569 -10.067 0.961 1.00 0.00 N ATOM 0 H LYS A 22 7.536 -5.861 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 22 9.252 -8.190 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.428 -7.820 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.444 -9.227 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.169 -6.430 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.336 -7.611 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.102 -8.034 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.813 -7.469 0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.532 -9.588 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.902 -10.155 -0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.444 -11.050 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.266 -10.037 0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.908 -9.488 1.756 1.00 0.00 H new ATOM 344 N LYS A 23 7.059 -7.792 -5.170 1.00 0.00 N ATOM 345 CA LYS A 23 6.368 -8.325 -6.363 1.00 0.00 C ATOM 346 C LYS A 23 7.209 -8.228 -7.639 1.00 0.00 C ATOM 347 O LYS A 23 7.366 -9.242 -8.321 1.00 0.00 O ATOM 348 CB LYS A 23 4.988 -7.657 -6.502 1.00 0.00 C ATOM 349 CG LYS A 23 4.155 -8.107 -7.717 1.00 0.00 C ATOM 350 CD LYS A 23 3.882 -9.621 -7.759 1.00 0.00 C ATOM 351 CE LYS A 23 2.989 -9.962 -8.958 1.00 0.00 C ATOM 352 NZ LYS A 23 2.755 -11.426 -9.080 1.00 0.00 N ATOM 0 H LYS A 23 7.075 -6.772 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 23 6.218 -9.395 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.415 -7.855 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.130 -6.578 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.203 -7.576 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.675 -7.816 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.823 -10.166 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.399 -9.937 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.033 -9.449 -8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.453 -9.592 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.147 -11.613 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.665 -11.914 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.289 -11.776 -8.219 1.00 0.00 H new ATOM 366 N CYS A 24 7.759 -7.048 -7.954 1.00 0.00 N ATOM 367 CA CYS A 24 8.586 -6.831 -9.152 1.00 0.00 C ATOM 368 C CYS A 24 10.113 -6.851 -8.887 1.00 0.00 C ATOM 369 O CYS A 24 10.911 -6.797 -9.829 1.00 0.00 O ATOM 370 CB CYS A 24 8.069 -5.614 -9.943 1.00 0.00 C ATOM 371 SG CYS A 24 8.551 -4.005 -9.211 1.00 0.00 S ATOM 0 H CYS A 24 7.643 -6.211 -7.383 1.00 0.00 H new ATOM 0 HA CYS A 24 8.465 -7.698 -9.801 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.447 -5.667 -10.964 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.982 -5.665 -10.003 1.00 0.00 H new ATOM 0 HG CYS A 24 8.128 -3.943 -7.983 1.00 0.00 H new ATOM 376 N SER A 25 10.521 -7.011 -7.619 1.00 0.00 N ATOM 377 CA SER A 25 11.917 -7.105 -7.148 1.00 0.00 C ATOM 378 C SER A 25 12.786 -5.856 -7.403 1.00 0.00 C ATOM 379 O SER A 25 14.015 -5.922 -7.322 1.00 0.00 O ATOM 380 CB SER A 25 12.593 -8.404 -7.621 1.00 0.00 C ATOM 381 OG SER A 25 11.831 -9.544 -7.241 1.00 0.00 O ATOM 0 H SER A 25 9.853 -7.082 -6.852 1.00 0.00 H new ATOM 0 HA SER A 25 11.839 -7.145 -6.062 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.708 -8.384 -8.705 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.594 -8.473 -7.195 1.00 0.00 H new ATOM 0 HG SER A 25 12.280 -10.357 -7.554 1.00 0.00 H new ATOM 387 N GLU A 26 12.160 -4.707 -7.674 1.00 0.00 N ATOM 388 CA GLU A 26 12.808 -3.390 -7.762 1.00 0.00 C ATOM 389 C GLU A 26 12.812 -2.694 -6.379 1.00 0.00 C ATOM 390 O GLU A 26 12.455 -3.299 -5.364 1.00 0.00 O ATOM 391 CB GLU A 26 12.100 -2.537 -8.837 1.00 0.00 C ATOM 392 CG GLU A 26 12.023 -3.151 -10.248 1.00 0.00 C ATOM 393 CD GLU A 26 13.386 -3.212 -10.970 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.243 -4.054 -10.612 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.600 -2.428 -11.927 1.00 0.00 O ATOM 0 H GLU A 26 11.155 -4.664 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 26 13.849 -3.513 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.085 -2.330 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.614 -1.578 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.614 -4.159 -10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.327 -2.568 -10.851 1.00 0.00 H new ATOM 402 N SER A 27 13.198 -1.415 -6.311 1.00 0.00 N ATOM 403 CA SER A 27 13.183 -0.618 -5.073 1.00 0.00 C ATOM 404 C SER A 27 12.342 0.650 -5.193 1.00 0.00 C ATOM 405 O SER A 27 12.263 1.264 -6.261 1.00 0.00 O ATOM 406 CB SER A 27 14.594 -0.291 -4.613 1.00 0.00 C ATOM 407 OG SER A 27 14.586 -0.041 -3.221 1.00 0.00 O ATOM 0 H SER A 27 13.534 -0.896 -7.122 1.00 0.00 H new ATOM 0 HA SER A 27 12.706 -1.239 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.264 -1.120 -4.841 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.971 0.581 -5.148 1.00 0.00 H new ATOM 0 HG SER A 27 15.495 0.169 -2.921 1.00 0.00 H new ATOM 413 N ILE A 28 11.676 1.026 -4.104 1.00 0.00 N ATOM 414 CA ILE A 28 10.520 1.929 -4.134 1.00 0.00 C ATOM 415 C ILE A 28 10.977 3.388 -3.920 1.00 0.00 C ATOM 416 O ILE A 28 11.583 3.677 -2.884 1.00 0.00 O ATOM 417 CB ILE A 28 9.449 1.478 -3.111 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.028 0.001 -3.322 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.206 2.383 -3.197 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.195 -0.583 -2.173 1.00 0.00 C ATOM 0 H ILE A 28 11.923 0.712 -3.166 1.00 0.00 H new ATOM 0 HA ILE A 28 10.050 1.883 -5.116 1.00 0.00 H new ATOM 0 HB ILE A 28 9.898 1.564 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.455 -0.074 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.924 -0.606 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.464 2.051 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.490 3.413 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.783 2.326 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.941 -1.619 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.771 -0.543 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.280 -0.003 -2.055 1.00 0.00 H new ATOM 432 N PRO A 29 10.709 4.318 -4.858 1.00 0.00 N ATOM 433 CA PRO A 29 11.203 5.694 -4.782 1.00 0.00 C ATOM 434 C PRO A 29 10.445 6.562 -3.765 1.00 0.00 C ATOM 435 O PRO A 29 9.263 6.338 -3.490 1.00 0.00 O ATOM 436 CB PRO A 29 11.070 6.244 -6.207 1.00 0.00 C ATOM 437 CG PRO A 29 9.855 5.496 -6.752 1.00 0.00 C ATOM 438 CD PRO A 29 10.000 4.114 -6.116 1.00 0.00 C ATOM 0 HA PRO A 29 12.232 5.712 -4.423 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.915 7.323 -6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.964 6.049 -6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.920 5.978 -6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.866 5.444 -7.841 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.024 3.660 -5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.554 3.440 -6.770 1.00 0.00 H new ATOM 446 N LYS A 30 11.117 7.595 -3.239 1.00 0.00 N ATOM 447 CA LYS A 30 10.520 8.657 -2.411 1.00 0.00 C ATOM 448 C LYS A 30 9.715 9.673 -3.234 1.00 0.00 C ATOM 449 O LYS A 30 9.799 9.699 -4.462 1.00 0.00 O ATOM 450 CB LYS A 30 11.591 9.288 -1.512 1.00 0.00 C ATOM 451 CG LYS A 30 12.481 10.293 -2.240 1.00 0.00 C ATOM 452 CD LYS A 30 13.665 10.703 -1.360 1.00 0.00 C ATOM 453 CE LYS A 30 14.495 11.683 -2.180 1.00 0.00 C ATOM 454 NZ LYS A 30 15.765 12.043 -1.501 1.00 0.00 N ATOM 0 H LYS A 30 12.119 7.720 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 30 9.777 8.205 -1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.103 9.786 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.215 8.498 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.846 9.857 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.899 11.174 -2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.319 11.166 -0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.258 9.833 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.716 11.245 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.913 12.586 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.298 12.711 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.555 12.485 -0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.333 11.185 -1.350 1.00 0.00 H new ATOM 468 N ASP A 31 8.924 10.500 -2.547 1.00 0.00 N ATOM 469 CA ASP A 31 7.922 11.407 -3.136 1.00 0.00 C ATOM 470 C ASP A 31 6.929 10.662 -4.060 1.00 0.00 C ATOM 471 O ASP A 31 6.578 11.115 -5.153 1.00 0.00 O ATOM 472 CB ASP A 31 8.609 12.639 -3.758 1.00 0.00 C ATOM 473 CG ASP A 31 7.618 13.757 -4.135 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.699 14.059 -3.334 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.786 14.380 -5.212 1.00 0.00 O ATOM 0 H ASP A 31 8.961 10.563 -1.530 1.00 0.00 H new ATOM 0 HA ASP A 31 7.284 11.799 -2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.342 13.033 -3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.157 12.331 -4.649 1.00 0.00 H new ATOM 480 N SER A 32 6.519 9.468 -3.618 1.00 0.00 N ATOM 481 CA SER A 32 5.673 8.510 -4.343 1.00 0.00 C ATOM 482 C SER A 32 4.775 7.728 -3.370 1.00 0.00 C ATOM 483 O SER A 32 4.945 7.830 -2.153 1.00 0.00 O ATOM 484 CB SER A 32 6.572 7.556 -5.138 1.00 0.00 C ATOM 485 OG SER A 32 5.846 6.985 -6.211 1.00 0.00 O ATOM 0 H SER A 32 6.782 9.124 -2.694 1.00 0.00 H new ATOM 0 HA SER A 32 5.020 9.050 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.439 8.095 -5.521 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.949 6.769 -4.484 1.00 0.00 H new ATOM 0 HG SER A 32 6.429 6.379 -6.714 1.00 0.00 H new ATOM 491 N LEU A 33 3.816 6.952 -3.880 1.00 0.00 N ATOM 492 CA LEU A 33 2.809 6.229 -3.093 1.00 0.00 C ATOM 493 C LEU A 33 3.153 4.732 -3.012 1.00 0.00 C ATOM 494 O LEU A 33 3.411 4.096 -4.036 1.00 0.00 O ATOM 495 CB LEU A 33 1.430 6.496 -3.731 1.00 0.00 C ATOM 496 CG LEU A 33 0.232 5.901 -2.969 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.006 6.578 -1.621 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.044 6.079 -3.790 1.00 0.00 C ATOM 0 H LEU A 33 3.714 6.803 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 33 2.791 6.583 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.288 7.573 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.432 6.095 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 33 0.468 4.850 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.863 6.118 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.878 6.462 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.204 7.639 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.889 5.656 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.219 7.141 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.936 5.567 -4.746 1.00 0.00 H new ATOM 510 N ARG A 34 3.142 4.147 -1.812 1.00 0.00 N ATOM 511 CA ARG A 34 3.498 2.739 -1.573 1.00 0.00 C ATOM 512 C ARG A 34 2.567 2.076 -0.570 1.00 0.00 C ATOM 513 O ARG A 34 1.956 2.745 0.261 1.00 0.00 O ATOM 514 CB ARG A 34 4.988 2.611 -1.205 1.00 0.00 C ATOM 515 CG ARG A 34 5.430 3.243 0.127 1.00 0.00 C ATOM 516 CD ARG A 34 6.941 3.025 0.313 1.00 0.00 C ATOM 517 NE ARG A 34 7.463 3.685 1.524 1.00 0.00 N ATOM 518 CZ ARG A 34 8.681 4.148 1.735 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.638 4.094 0.853 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.940 4.717 2.871 1.00 0.00 N ATOM 0 H ARG A 34 2.881 4.645 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 34 3.355 2.187 -2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.242 1.551 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.576 3.060 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.201 4.309 0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.881 2.795 0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.146 1.956 0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.470 3.406 -0.561 1.00 0.00 H new ATOM 0 HE ARG A 34 6.802 3.798 2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.466 3.676 -0.061 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.559 4.470 1.077 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.210 4.799 3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.874 5.082 3.057 1.00 0.00 H new ATOM 534 N MET A 35 2.460 0.757 -0.671 1.00 0.00 N ATOM 535 CA MET A 35 1.630 -0.102 0.171 1.00 0.00 C ATOM 536 C MET A 35 2.462 -1.219 0.797 1.00 0.00 C ATOM 537 O MET A 35 3.553 -1.523 0.327 1.00 0.00 O ATOM 538 CB MET A 35 0.426 -0.653 -0.619 1.00 0.00 C ATOM 539 CG MET A 35 -0.609 0.444 -0.885 1.00 0.00 C ATOM 540 SD MET A 35 -2.139 -0.062 -1.722 1.00 0.00 S ATOM 541 CE MET A 35 -2.983 -0.931 -0.370 1.00 0.00 C ATOM 0 H MET A 35 2.974 0.229 -1.376 1.00 0.00 H new ATOM 0 HA MET A 35 1.231 0.501 0.987 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.769 -1.071 -1.566 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.037 -1.467 -0.061 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.877 0.897 0.069 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.135 1.221 -1.484 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.902 -1.381 -0.745 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.331 -1.711 0.024 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.223 -0.223 0.424 1.00 0.00 H new ATOM 551 N ALA A 36 1.970 -1.804 1.882 1.00 0.00 N ATOM 552 CA ALA A 36 2.623 -2.907 2.583 1.00 0.00 C ATOM 553 C ALA A 36 1.609 -3.919 3.133 1.00 0.00 C ATOM 554 O ALA A 36 0.408 -3.639 3.182 1.00 0.00 O ATOM 555 CB ALA A 36 3.565 -2.364 3.671 1.00 0.00 C ATOM 0 H ALA A 36 1.088 -1.521 2.309 1.00 0.00 H new ATOM 0 HA ALA A 36 3.231 -3.457 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.045 -3.197 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.327 -1.734 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.992 -1.776 4.388 1.00 0.00 H new ATOM 561 N ILE A 37 2.091 -5.091 3.552 1.00 0.00 N ATOM 562 CA ILE A 37 1.271 -6.164 4.126 1.00 0.00 C ATOM 563 C ILE A 37 1.813 -6.621 5.474 1.00 0.00 C ATOM 564 O ILE A 37 3.020 -6.801 5.615 1.00 0.00 O ATOM 565 CB ILE A 37 1.140 -7.306 3.095 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.221 -7.128 2.409 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.290 -8.721 3.667 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.419 -7.961 1.154 1.00 0.00 C ATOM 0 H ILE A 37 3.082 -5.327 3.501 1.00 0.00 H new ATOM 0 HA ILE A 37 0.268 -5.791 4.336 1.00 0.00 H new ATOM 0 HB ILE A 37 1.971 -7.227 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.006 -7.379 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.348 -6.076 2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.182 -9.451 2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.274 -8.826 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.521 -8.893 4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.409 -7.767 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.339 -7.695 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.330 -9.019 1.402 1.00 0.00 H new ATOM 580 N MET A 38 0.931 -6.843 6.450 1.00 0.00 N ATOM 581 CA MET A 38 1.317 -7.327 7.774 1.00 0.00 C ATOM 582 C MET A 38 1.324 -8.858 7.835 1.00 0.00 C ATOM 583 O MET A 38 0.270 -9.493 7.761 1.00 0.00 O ATOM 584 CB MET A 38 0.402 -6.679 8.830 1.00 0.00 C ATOM 585 CG MET A 38 1.023 -6.619 10.228 1.00 0.00 C ATOM 586 SD MET A 38 1.934 -5.096 10.623 1.00 0.00 S ATOM 587 CE MET A 38 3.229 -5.129 9.361 1.00 0.00 C ATOM 0 H MET A 38 -0.072 -6.692 6.343 1.00 0.00 H new ATOM 0 HA MET A 38 2.343 -7.030 7.991 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.151 -5.668 8.510 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.532 -7.238 8.881 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.229 -6.746 10.964 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.701 -7.465 10.341 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.988 -4.384 9.599 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.686 -6.118 9.335 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.794 -4.905 8.387 1.00 0.00 H new ATOM 597 N VAL A 39 2.514 -9.451 7.992 1.00 0.00 N ATOM 598 CA VAL A 39 2.704 -10.912 8.117 1.00 0.00 C ATOM 599 C VAL A 39 3.602 -11.275 9.300 1.00 0.00 C ATOM 600 O VAL A 39 4.560 -10.572 9.612 1.00 0.00 O ATOM 601 CB VAL A 39 3.209 -11.521 6.792 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.589 -11.009 6.375 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.232 -13.054 6.811 1.00 0.00 C ATOM 0 H VAL A 39 3.388 -8.927 8.037 1.00 0.00 H new ATOM 0 HA VAL A 39 1.730 -11.353 8.327 1.00 0.00 H new ATOM 0 HB VAL A 39 2.481 -11.187 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.883 -11.478 5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.552 -9.927 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.317 -11.256 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.596 -13.424 5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.892 -13.398 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.224 -13.431 6.987 1.00 0.00 H new ATOM 613 N GLN A 40 3.291 -12.382 9.971 1.00 0.00 N ATOM 614 CA GLN A 40 4.084 -12.942 11.072 1.00 0.00 C ATOM 615 C GLN A 40 5.406 -13.544 10.561 1.00 0.00 C ATOM 616 O GLN A 40 5.414 -14.330 9.611 1.00 0.00 O ATOM 617 CB GLN A 40 3.246 -13.958 11.872 1.00 0.00 C ATOM 618 CG GLN A 40 2.383 -14.901 11.005 1.00 0.00 C ATOM 619 CD GLN A 40 1.690 -16.011 11.801 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.756 -16.106 13.021 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.984 -16.903 11.137 1.00 0.00 N ATOM 0 H GLN A 40 2.458 -12.932 9.761 1.00 0.00 H new ATOM 0 HA GLN A 40 4.356 -12.134 11.752 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.917 -14.561 12.485 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.593 -13.414 12.555 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.626 -14.312 10.487 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.013 -15.355 10.240 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.914 -16.845 10.121 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.507 -17.652 11.639 1.00 0.00 H new ATOM 630 N SER A 41 6.527 -13.180 11.190 1.00 0.00 N ATOM 631 CA SER A 41 7.870 -13.592 10.761 1.00 0.00 C ATOM 632 C SER A 41 8.369 -14.856 11.465 1.00 0.00 C ATOM 633 O SER A 41 8.289 -14.945 12.695 1.00 0.00 O ATOM 634 CB SER A 41 8.862 -12.453 10.972 1.00 0.00 C ATOM 635 OG SER A 41 10.152 -12.852 10.535 1.00 0.00 O ATOM 0 H SER A 41 6.530 -12.586 12.019 1.00 0.00 H new ATOM 0 HA SER A 41 7.796 -13.832 9.700 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.538 -11.570 10.421 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.894 -12.177 12.026 1.00 0.00 H new ATOM 0 HG SER A 41 10.064 -13.489 9.795 1.00 0.00 H new ATOM 641 N PRO A 42 8.969 -15.807 10.721 1.00 0.00 N ATOM 642 CA PRO A 42 9.729 -16.903 11.311 1.00 0.00 C ATOM 643 C PRO A 42 11.069 -16.479 11.946 1.00 0.00 C ATOM 644 O PRO A 42 11.653 -17.253 12.708 1.00 0.00 O ATOM 645 CB PRO A 42 9.955 -17.915 10.178 1.00 0.00 C ATOM 646 CG PRO A 42 8.890 -17.566 9.141 1.00 0.00 C ATOM 647 CD PRO A 42 8.750 -16.056 9.304 1.00 0.00 C ATOM 0 HA PRO A 42 9.165 -17.322 12.144 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.959 -17.828 9.762 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.844 -18.940 10.532 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.202 -17.838 8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.950 -18.084 9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.479 -15.524 8.693 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.763 -15.715 8.992 1.00 0.00 H new ATOM 655 N MET A 43 11.577 -15.279 11.621 1.00 0.00 N ATOM 656 CA MET A 43 12.920 -14.796 12.001 1.00 0.00 C ATOM 657 C MET A 43 12.910 -13.620 12.995 1.00 0.00 C ATOM 658 O MET A 43 13.888 -13.425 13.721 1.00 0.00 O ATOM 659 CB MET A 43 13.691 -14.405 10.732 1.00 0.00 C ATOM 660 CG MET A 43 14.070 -15.631 9.887 1.00 0.00 C ATOM 661 SD MET A 43 14.047 -15.345 8.098 1.00 0.00 S ATOM 662 CE MET A 43 12.249 -15.297 7.869 1.00 0.00 C ATOM 0 H MET A 43 11.053 -14.598 11.072 1.00 0.00 H new ATOM 0 HA MET A 43 13.412 -15.618 12.522 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.083 -13.726 10.134 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.595 -13.863 11.010 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.067 -15.962 10.177 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.383 -16.445 10.121 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.015 -15.378 6.807 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.792 -16.128 8.406 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.858 -14.356 8.256 1.00 0.00 H new ATOM 672 N PHE A 44 11.822 -12.845 13.046 1.00 0.00 N ATOM 673 CA PHE A 44 11.626 -11.693 13.937 1.00 0.00 C ATOM 674 C PHE A 44 10.580 -11.991 15.029 1.00 0.00 C ATOM 675 O PHE A 44 9.725 -12.865 14.882 1.00 0.00 O ATOM 676 CB PHE A 44 11.286 -10.453 13.089 1.00 0.00 C ATOM 677 CG PHE A 44 10.981 -9.198 13.885 1.00 0.00 C ATOM 678 CD1 PHE A 44 12.021 -8.491 14.517 1.00 0.00 C ATOM 679 CD2 PHE A 44 9.651 -8.756 14.025 1.00 0.00 C ATOM 680 CE1 PHE A 44 11.731 -7.350 15.287 1.00 0.00 C ATOM 681 CE2 PHE A 44 9.361 -7.615 14.793 1.00 0.00 C ATOM 682 CZ PHE A 44 10.401 -6.913 15.425 1.00 0.00 C ATOM 0 H PHE A 44 11.017 -13.009 12.441 1.00 0.00 H new ATOM 0 HA PHE A 44 12.549 -11.485 14.478 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.122 -10.247 12.421 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.426 -10.685 12.461 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.043 -8.825 14.411 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.851 -9.296 13.540 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.530 -6.809 15.772 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.340 -7.278 14.897 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.179 -6.037 16.017 1.00 0.00 H new ATOM 692 N ASP A 45 10.637 -11.248 16.135 1.00 0.00 N ATOM 693 CA ASP A 45 9.838 -11.453 17.357 1.00 0.00 C ATOM 694 C ASP A 45 8.412 -10.853 17.271 1.00 0.00 C ATOM 695 O ASP A 45 7.893 -10.283 18.235 1.00 0.00 O ATOM 696 CB ASP A 45 10.636 -10.946 18.574 1.00 0.00 C ATOM 697 CG ASP A 45 11.954 -11.715 18.766 1.00 0.00 C ATOM 698 OD1 ASP A 45 11.915 -12.870 19.256 1.00 0.00 O ATOM 699 OD2 ASP A 45 13.033 -11.164 18.442 1.00 0.00 O ATOM 0 H ASP A 45 11.267 -10.450 16.213 1.00 0.00 H new ATOM 0 HA ASP A 45 9.664 -12.522 17.475 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.851 -9.885 18.449 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.026 -11.043 19.472 1.00 0.00 H new ATOM 704 N GLY A 46 7.778 -10.949 16.098 1.00 0.00 N ATOM 705 CA GLY A 46 6.461 -10.375 15.804 1.00 0.00 C ATOM 706 C GLY A 46 6.152 -10.331 14.309 1.00 0.00 C ATOM 707 O GLY A 46 6.577 -11.205 13.544 1.00 0.00 O ATOM 0 H GLY A 46 8.180 -11.444 15.302 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.694 -10.960 16.311 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.412 -9.365 16.210 1.00 0.00 H new ATOM 711 N LYS A 47 5.397 -9.310 13.890 1.00 0.00 N ATOM 712 CA LYS A 47 4.921 -9.142 12.507 1.00 0.00 C ATOM 713 C LYS A 47 5.676 -8.031 11.776 1.00 0.00 C ATOM 714 O LYS A 47 6.077 -7.035 12.381 1.00 0.00 O ATOM 715 CB LYS A 47 3.389 -8.974 12.462 1.00 0.00 C ATOM 716 CG LYS A 47 2.662 -10.045 13.305 1.00 0.00 C ATOM 717 CD LYS A 47 1.409 -10.637 12.650 1.00 0.00 C ATOM 718 CE LYS A 47 0.293 -9.639 12.323 1.00 0.00 C ATOM 719 NZ LYS A 47 -0.379 -9.115 13.540 1.00 0.00 N ATOM 0 H LYS A 47 5.092 -8.561 14.512 1.00 0.00 H new ATOM 0 HA LYS A 47 5.145 -10.057 11.959 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.123 -7.983 12.828 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.048 -9.034 11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.360 -10.854 13.519 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.381 -9.605 14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.706 -11.137 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.004 -11.403 13.311 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.710 -8.807 11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.446 -10.122 11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.125 -8.445 13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.801 -9.904 14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.318 -8.629 14.139 1.00 0.00 H new ATOM 733 N VAL A 48 5.882 -8.226 10.475 1.00 0.00 N ATOM 734 CA VAL A 48 6.765 -7.426 9.611 1.00 0.00 C ATOM 735 C VAL A 48 6.028 -6.929 8.355 1.00 0.00 C ATOM 736 O VAL A 48 5.180 -7.658 7.830 1.00 0.00 O ATOM 737 CB VAL A 48 8.034 -8.216 9.223 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.891 -8.519 10.461 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.743 -9.543 8.505 1.00 0.00 C ATOM 0 H VAL A 48 5.419 -8.979 9.966 1.00 0.00 H new ATOM 0 HA VAL A 48 7.072 -6.552 10.185 1.00 0.00 H new ATOM 0 HB VAL A 48 8.568 -7.569 8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.779 -9.076 10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.192 -7.584 10.933 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.312 -9.113 11.168 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.683 -10.040 8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.148 -10.185 9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.191 -9.346 7.586 1.00 0.00 H new ATOM 749 N PRO A 49 6.308 -5.703 7.865 1.00 0.00 N ATOM 750 CA PRO A 49 5.654 -5.152 6.680 1.00 0.00 C ATOM 751 C PRO A 49 6.324 -5.625 5.377 1.00 0.00 C ATOM 752 O PRO A 49 7.532 -5.464 5.188 1.00 0.00 O ATOM 753 CB PRO A 49 5.736 -3.631 6.846 1.00 0.00 C ATOM 754 CG PRO A 49 7.039 -3.434 7.621 1.00 0.00 C ATOM 755 CD PRO A 49 7.122 -4.677 8.509 1.00 0.00 C ATOM 0 HA PRO A 49 4.622 -5.492 6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.759 -3.121 5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.879 -3.239 7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.896 -3.362 6.952 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.019 -2.519 8.213 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.154 -5.010 8.614 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.753 -4.462 9.512 1.00 0.00 H new ATOM 763 N HIS A 50 5.539 -6.176 4.448 1.00 0.00 N ATOM 764 CA HIS A 50 5.975 -6.521 3.086 1.00 0.00 C ATOM 765 C HIS A 50 5.588 -5.400 2.132 1.00 0.00 C ATOM 766 O HIS A 50 4.426 -5.323 1.754 1.00 0.00 O ATOM 767 CB HIS A 50 5.361 -7.868 2.661 1.00 0.00 C ATOM 768 CG HIS A 50 6.077 -9.076 3.210 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.142 -10.328 2.592 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.754 -9.135 4.393 1.00 0.00 C ATOM 771 CE1 HIS A 50 6.846 -11.113 3.425 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.247 -10.417 4.503 1.00 0.00 N ATOM 0 H HIS A 50 4.560 -6.401 4.622 1.00 0.00 H new ATOM 0 HA HIS A 50 7.059 -6.631 3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.321 -7.898 2.985 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.358 -7.925 1.573 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.879 -8.333 5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.060 -12.157 3.253 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.817 -10.776 5.269 1.00 0.00 H new ATOM 780 N TRP A 51 6.525 -4.515 1.786 1.00 0.00 N ATOM 781 CA TRP A 51 6.268 -3.332 0.959 1.00 0.00 C ATOM 782 C TRP A 51 6.175 -3.670 -0.534 1.00 0.00 C ATOM 783 O TRP A 51 6.879 -4.536 -1.050 1.00 0.00 O ATOM 784 CB TRP A 51 7.357 -2.276 1.174 1.00 0.00 C ATOM 785 CG TRP A 51 7.508 -1.779 2.577 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.410 -2.244 3.473 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.742 -0.744 3.274 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.251 -1.585 4.674 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.214 -0.680 4.621 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.677 0.121 2.923 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.647 0.167 5.580 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.072 0.949 3.895 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.562 0.977 5.214 1.00 0.00 C ATOM 0 H TRP A 51 7.499 -4.601 2.076 1.00 0.00 H new ATOM 0 HA TRP A 51 5.302 -2.937 1.274 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.311 -2.693 0.851 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.145 -1.425 0.527 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.142 -3.013 3.277 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.829 -1.747 5.498 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.324 0.148 1.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.039 0.196 6.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.227 1.565 3.624 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.101 1.624 5.946 1.00 0.00 H new ATOM 804 N TYR A 52 5.354 -2.923 -1.259 1.00 0.00 N ATOM 805 CA TYR A 52 5.296 -2.946 -2.712 1.00 0.00 C ATOM 806 C TYR A 52 4.933 -1.546 -3.244 1.00 0.00 C ATOM 807 O TYR A 52 4.392 -0.705 -2.515 1.00 0.00 O ATOM 808 CB TYR A 52 4.328 -4.034 -3.236 1.00 0.00 C ATOM 809 CG TYR A 52 3.952 -5.248 -2.387 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.159 -5.132 -1.223 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.308 -6.532 -2.846 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.747 -6.289 -0.524 1.00 0.00 C ATOM 813 CE2 TYR A 52 3.897 -7.687 -2.155 1.00 0.00 C ATOM 814 CZ TYR A 52 3.124 -7.568 -0.983 1.00 0.00 C ATOM 815 OH TYR A 52 2.745 -8.681 -0.296 1.00 0.00 O ATOM 0 H TYR A 52 4.693 -2.268 -0.841 1.00 0.00 H new ATOM 0 HA TYR A 52 6.283 -3.212 -3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.397 -3.530 -3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.754 -4.416 -4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.867 -4.155 -0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.905 -6.631 -3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.141 -6.193 0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.174 -8.664 -2.523 1.00 0.00 H new ATOM 0 HH TYR A 52 3.088 -9.479 -0.750 1.00 0.00 H new ATOM 825 N HIS A 53 5.202 -1.286 -4.528 1.00 0.00 N ATOM 826 CA HIS A 53 4.643 -0.118 -5.237 1.00 0.00 C ATOM 827 C HIS A 53 3.105 -0.086 -5.110 1.00 0.00 C ATOM 828 O HIS A 53 2.477 -1.138 -4.948 1.00 0.00 O ATOM 829 CB HIS A 53 5.032 -0.150 -6.726 1.00 0.00 C ATOM 830 CG HIS A 53 6.506 -0.021 -7.035 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.355 -1.014 -7.536 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.212 1.146 -6.956 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.542 -0.425 -7.746 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.486 0.873 -7.406 1.00 0.00 N ATOM 0 H HIS A 53 5.807 -1.870 -5.105 1.00 0.00 H new ATOM 0 HA HIS A 53 5.057 0.780 -4.778 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.673 -1.086 -7.153 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.504 0.656 -7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.843 2.099 -6.608 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.418 -0.924 -8.133 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.254 1.542 -7.470 1.00 0.00 H new ATOM 842 N PHE A 54 2.480 1.095 -5.216 1.00 0.00 N ATOM 843 CA PHE A 54 1.018 1.222 -5.094 1.00 0.00 C ATOM 844 C PHE A 54 0.268 0.303 -6.080 1.00 0.00 C ATOM 845 O PHE A 54 -0.713 -0.329 -5.698 1.00 0.00 O ATOM 846 CB PHE A 54 0.580 2.681 -5.297 1.00 0.00 C ATOM 847 CG PHE A 54 -0.927 2.847 -5.459 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.802 2.533 -4.398 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.462 3.252 -6.699 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.193 2.583 -4.588 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.856 3.323 -6.878 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.718 2.971 -5.828 1.00 0.00 C ATOM 0 H PHE A 54 2.963 1.977 -5.386 1.00 0.00 H new ATOM 0 HA PHE A 54 0.756 0.906 -4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.913 3.274 -4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.079 3.082 -6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.401 2.253 -3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.800 3.508 -7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.858 2.322 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.263 3.649 -7.824 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.787 2.999 -5.976 1.00 0.00 H new ATOM 862 N SER A 55 0.745 0.179 -7.325 1.00 0.00 N ATOM 863 CA SER A 55 0.157 -0.688 -8.352 1.00 0.00 C ATOM 864 C SER A 55 0.501 -2.167 -8.134 1.00 0.00 C ATOM 865 O SER A 55 -0.367 -3.031 -8.297 1.00 0.00 O ATOM 866 CB SER A 55 0.615 -0.226 -9.740 1.00 0.00 C ATOM 867 OG SER A 55 2.032 -0.141 -9.796 1.00 0.00 O ATOM 0 H SER A 55 1.566 0.688 -7.652 1.00 0.00 H new ATOM 0 HA SER A 55 -0.927 -0.604 -8.278 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.257 -0.923 -10.498 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.178 0.746 -9.968 1.00 0.00 H new ATOM 0 HG SER A 55 2.307 0.154 -10.689 1.00 0.00 H new ATOM 873 N CYS A 56 1.733 -2.463 -7.706 1.00 0.00 N ATOM 874 CA CYS A 56 2.212 -3.818 -7.459 1.00 0.00 C ATOM 875 C CYS A 56 1.391 -4.574 -6.397 1.00 0.00 C ATOM 876 O CYS A 56 1.171 -5.772 -6.550 1.00 0.00 O ATOM 877 CB CYS A 56 3.693 -3.787 -7.075 1.00 0.00 C ATOM 878 SG CYS A 56 4.769 -3.420 -8.513 1.00 0.00 S ATOM 0 H CYS A 56 2.436 -1.748 -7.519 1.00 0.00 H new ATOM 0 HA CYS A 56 2.084 -4.372 -8.389 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.851 -3.034 -6.303 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.976 -4.748 -6.646 1.00 0.00 H new ATOM 0 HG CYS A 56 5.734 -2.631 -8.143 1.00 0.00 H new ATOM 883 N PHE A 57 0.900 -3.890 -5.358 1.00 0.00 N ATOM 884 CA PHE A 57 -0.002 -4.450 -4.340 1.00 0.00 C ATOM 885 C PHE A 57 -1.207 -5.177 -4.968 1.00 0.00 C ATOM 886 O PHE A 57 -1.491 -6.334 -4.649 1.00 0.00 O ATOM 887 CB PHE A 57 -0.467 -3.316 -3.419 1.00 0.00 C ATOM 888 CG PHE A 57 -1.464 -3.773 -2.373 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.826 -3.876 -2.709 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.034 -4.143 -1.087 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.756 -4.352 -1.775 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.972 -4.590 -0.138 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.330 -4.700 -0.483 1.00 0.00 C ATOM 0 H PHE A 57 1.123 -2.908 -5.196 1.00 0.00 H new ATOM 0 HA PHE A 57 0.543 -5.198 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.400 -2.881 -2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.917 -2.527 -4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.158 -3.586 -3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.013 -4.084 -0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.796 -4.451 -2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.647 -4.849 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.046 -5.052 0.245 1.00 0.00 H new ATOM 903 N TRP A 58 -1.894 -4.519 -5.907 1.00 0.00 N ATOM 904 CA TRP A 58 -3.064 -5.075 -6.597 1.00 0.00 C ATOM 905 C TRP A 58 -2.662 -6.133 -7.633 1.00 0.00 C ATOM 906 O TRP A 58 -3.397 -7.095 -7.857 1.00 0.00 O ATOM 907 CB TRP A 58 -3.866 -3.939 -7.240 1.00 0.00 C ATOM 908 CG TRP A 58 -4.121 -2.773 -6.332 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.384 -1.643 -6.300 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.113 -2.626 -5.268 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.803 -0.835 -5.263 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.873 -1.387 -4.595 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.175 -3.424 -4.792 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.657 -0.958 -3.513 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.965 -3.001 -3.707 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.705 -1.773 -3.072 1.00 0.00 C ATOM 0 H TRP A 58 -1.652 -3.577 -6.213 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.693 -5.580 -5.864 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.332 -3.587 -8.123 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.822 -4.334 -7.583 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.584 -1.406 -6.985 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.374 0.058 -5.022 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.384 -4.371 -5.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.455 -0.014 -3.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.776 -3.623 -3.359 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.317 -1.458 -2.240 1.00 0.00 H new ATOM 927 N LYS A 59 -1.455 -6.009 -8.199 1.00 0.00 N ATOM 928 CA LYS A 59 -0.817 -6.991 -9.086 1.00 0.00 C ATOM 929 C LYS A 59 -0.440 -8.299 -8.369 1.00 0.00 C ATOM 930 O LYS A 59 -0.313 -9.325 -9.037 1.00 0.00 O ATOM 931 CB LYS A 59 0.391 -6.295 -9.730 1.00 0.00 C ATOM 932 CG LYS A 59 1.007 -7.020 -10.933 1.00 0.00 C ATOM 933 CD LYS A 59 2.023 -6.123 -11.664 1.00 0.00 C ATOM 934 CE LYS A 59 3.209 -5.729 -10.766 1.00 0.00 C ATOM 935 NZ LYS A 59 3.885 -4.496 -11.237 1.00 0.00 N ATOM 0 H LYS A 59 -0.871 -5.187 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.522 -7.311 -9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.087 -5.297 -10.046 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.162 -6.168 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.499 -7.933 -10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.218 -7.318 -11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.396 -6.644 -12.546 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.521 -5.221 -12.015 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.856 -5.580 -9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.928 -6.547 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.067 -3.869 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.787 -4.746 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.276 -4.007 -11.924 1.00 0.00 H new ATOM 949 N VAL A 60 -0.331 -8.317 -7.029 1.00 0.00 N ATOM 950 CA VAL A 60 -0.267 -9.590 -6.261 1.00 0.00 C ATOM 951 C VAL A 60 -1.627 -10.323 -6.244 1.00 0.00 C ATOM 952 O VAL A 60 -1.680 -11.533 -6.023 1.00 0.00 O ATOM 953 CB VAL A 60 0.224 -9.404 -4.805 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.777 -10.714 -4.217 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.333 -8.367 -4.624 1.00 0.00 C ATOM 0 H VAL A 60 -0.285 -7.477 -6.452 1.00 0.00 H new ATOM 0 HA VAL A 60 0.468 -10.198 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.673 -9.061 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.111 -10.541 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.005 -11.473 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.618 -11.057 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.609 -8.309 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.203 -8.659 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.978 -7.393 -4.960 1.00 0.00 H new ATOM 965 N GLY A 61 -2.733 -9.613 -6.504 1.00 0.00 N ATOM 966 CA GLY A 61 -4.104 -10.142 -6.486 1.00 0.00 C ATOM 967 C GLY A 61 -4.862 -9.935 -5.165 1.00 0.00 C ATOM 968 O GLY A 61 -5.875 -10.600 -4.937 1.00 0.00 O ATOM 0 H GLY A 61 -2.697 -8.621 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.670 -9.671 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.069 -11.209 -6.704 1.00 0.00 H new ATOM 972 N HIS A 62 -4.387 -9.044 -4.285 1.00 0.00 N ATOM 973 CA HIS A 62 -5.050 -8.720 -3.010 1.00 0.00 C ATOM 974 C HIS A 62 -6.322 -7.875 -3.193 1.00 0.00 C ATOM 975 O HIS A 62 -6.427 -7.084 -4.135 1.00 0.00 O ATOM 976 CB HIS A 62 -4.070 -8.025 -2.057 1.00 0.00 C ATOM 977 CG HIS A 62 -2.920 -8.912 -1.654 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.022 -10.150 -1.010 1.00 0.00 N ATOM 979 CD2 HIS A 62 -1.607 -8.636 -1.876 1.00 0.00 C ATOM 980 CE1 HIS A 62 -1.760 -10.589 -0.860 1.00 0.00 C ATOM 981 NE2 HIS A 62 -0.892 -9.705 -1.382 1.00 0.00 N ATOM 0 H HIS A 62 -3.524 -8.522 -4.437 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.367 -9.666 -2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.680 -7.127 -2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.605 -7.703 -1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.204 -7.752 -2.347 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.483 -11.520 -0.387 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.122 -9.808 -1.408 1.00 0.00 H new ATOM 989 N SER A 63 -7.266 -8.019 -2.257 1.00 0.00 N ATOM 990 CA SER A 63 -8.562 -7.323 -2.237 1.00 0.00 C ATOM 991 C SER A 63 -8.883 -6.772 -0.845 1.00 0.00 C ATOM 992 O SER A 63 -8.536 -7.374 0.174 1.00 0.00 O ATOM 993 CB SER A 63 -9.696 -8.256 -2.687 1.00 0.00 C ATOM 994 OG SER A 63 -9.516 -8.668 -4.035 1.00 0.00 O ATOM 0 H SER A 63 -7.146 -8.646 -1.462 1.00 0.00 H new ATOM 0 HA SER A 63 -8.484 -6.489 -2.934 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.730 -9.131 -2.038 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.653 -7.745 -2.585 1.00 0.00 H new ATOM 0 HG SER A 63 -10.250 -9.262 -4.296 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.558 -5.622 -0.811 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.820 -4.821 0.394 1.00 0.00 C ATOM 1002 C ILE A 64 -11.309 -4.437 0.409 1.00 0.00 C ATOM 1003 O ILE A 64 -11.838 -4.033 -0.632 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.885 -3.582 0.422 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.435 -3.883 -0.034 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.900 -2.960 1.824 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.432 -2.745 0.195 1.00 0.00 C ATOM 0 H ILE A 64 -9.954 -5.204 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.606 -5.394 1.296 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.277 -2.872 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.082 -4.770 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.448 -4.127 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.243 -2.090 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.915 -2.654 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.552 -3.694 2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.447 -3.052 -0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.754 -1.860 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.382 -2.513 1.259 1.00 0.00 H new ATOM 1019 N ARG A 65 -12.001 -4.582 1.550 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.471 -4.400 1.663 1.00 0.00 C ATOM 1021 C ARG A 65 -13.940 -3.378 2.705 1.00 0.00 C ATOM 1022 O ARG A 65 -15.067 -2.892 2.622 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.215 -5.745 1.766 1.00 0.00 C ATOM 1024 CG ARG A 65 -14.051 -6.568 3.055 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.663 -7.209 3.192 1.00 0.00 C ATOM 1026 NE ARG A 65 -12.737 -8.468 3.961 1.00 0.00 N ATOM 1027 CZ ARG A 65 -11.743 -9.164 4.485 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.520 -8.727 4.558 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -11.970 -10.353 4.967 1.00 0.00 N ATOM 0 H ARG A 65 -11.558 -4.832 2.434 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.754 -3.936 0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.278 -5.549 1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.895 -6.367 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.233 -5.924 3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.809 -7.351 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.250 -7.406 2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.985 -6.515 3.688 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.672 -8.848 4.106 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.287 -7.801 4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.794 -9.310 4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.912 -10.743 4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.206 -10.893 5.372 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.067 -3.002 3.637 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.209 -1.858 4.543 1.00 0.00 C ATOM 1045 C HIS A 66 -11.857 -1.135 4.666 1.00 0.00 C ATOM 1046 O HIS A 66 -11.203 -1.188 5.708 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.897 -2.246 5.872 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.363 -3.392 6.713 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.448 -3.446 8.110 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -12.910 -4.604 6.274 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -13.006 -4.662 8.470 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -12.669 -5.377 7.386 1.00 0.00 N ATOM 0 H HIS A 66 -12.196 -3.511 3.791 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.900 -1.127 4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.899 -1.358 6.504 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.937 -2.475 5.640 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.768 -4.900 5.245 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.932 -5.014 9.488 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.299 -6.327 7.386 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.388 -0.482 3.581 1.00 0.00 N ATOM 1061 CA PRO A 67 -10.005 -0.025 3.452 1.00 0.00 C ATOM 1062 C PRO A 67 -9.571 1.014 4.488 1.00 0.00 C ATOM 1063 O PRO A 67 -8.427 0.981 4.924 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.871 0.526 2.023 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.310 0.859 1.642 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.101 -0.239 2.334 1.00 0.00 C ATOM 0 HA PRO A 67 -9.338 -0.866 3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.231 1.408 1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.435 -0.210 1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.602 1.850 1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.457 0.845 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.129 0.071 2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.146 -1.140 1.722 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.466 1.881 4.960 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.155 2.843 6.025 1.00 0.00 C ATOM 1076 C ASP A 68 -9.980 2.184 7.410 1.00 0.00 C ATOM 1077 O ASP A 68 -9.517 2.832 8.353 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.174 3.992 6.011 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.628 3.508 6.078 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -13.210 3.264 4.993 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.184 3.383 7.193 1.00 0.00 O ATOM 0 H ASP A 68 -11.425 1.939 4.618 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.175 3.272 5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.978 4.653 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.035 4.582 5.105 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.305 0.889 7.525 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.036 0.033 8.689 1.00 0.00 C ATOM 1088 C VAL A 69 -8.816 -0.873 8.452 1.00 0.00 C ATOM 1089 O VAL A 69 -7.965 -1.014 9.330 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.268 -0.831 9.037 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.097 -1.525 10.394 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.568 -0.014 9.082 1.00 0.00 C ATOM 0 H VAL A 69 -10.783 0.387 6.777 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.818 0.693 9.529 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.341 -1.571 8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.981 -2.125 10.610 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.219 -2.170 10.365 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.970 -0.774 11.173 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.402 -0.670 9.331 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.482 0.766 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.744 0.443 8.108 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.716 -1.484 7.267 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.699 -2.506 6.945 1.00 0.00 C ATOM 1104 C GLU A 70 -6.353 -1.932 6.504 1.00 0.00 C ATOM 1105 O GLU A 70 -5.314 -2.527 6.792 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.206 -3.412 5.808 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.465 -4.225 6.115 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.935 -4.968 4.852 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.664 -4.376 4.024 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.601 -6.162 4.680 1.00 0.00 O ATOM 0 H GLU A 70 -9.345 -1.284 6.490 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.542 -3.055 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.402 -2.791 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.408 -4.103 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.260 -4.940 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.255 -3.565 6.474 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.371 -0.797 5.805 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.187 -0.081 5.324 1.00 0.00 C ATOM 1119 C VAL A 71 -4.738 0.896 6.402 1.00 0.00 C ATOM 1120 O VAL A 71 -5.206 2.030 6.516 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.432 0.583 3.966 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.092 1.066 3.434 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.985 -0.416 2.943 1.00 0.00 C ATOM 0 H VAL A 71 -7.242 -0.333 5.548 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.376 -0.787 5.144 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.149 1.392 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.236 1.544 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.660 1.783 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.417 0.217 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.147 0.090 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.271 -1.228 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.930 -0.821 3.304 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.795 0.433 7.210 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.036 1.257 8.138 1.00 0.00 C ATOM 1135 C ASP A 72 -2.305 2.382 7.375 1.00 0.00 C ATOM 1136 O ASP A 72 -1.817 2.181 6.264 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.098 0.306 8.886 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.247 1.016 9.944 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -0.256 1.676 9.558 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -1.564 0.905 11.152 1.00 0.00 O ATOM 0 H ASP A 72 -3.530 -0.552 7.239 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.670 1.772 8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.688 -0.475 9.366 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.441 -0.186 8.169 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.272 3.593 7.927 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.661 4.764 7.283 1.00 0.00 C ATOM 1147 C GLY A 73 -2.530 5.451 6.223 1.00 0.00 C ATOM 1148 O GLY A 73 -2.125 6.475 5.676 1.00 0.00 O ATOM 0 H GLY A 73 -2.672 3.796 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.410 5.493 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.724 4.456 6.819 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.755 4.972 5.975 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.743 5.666 5.135 1.00 0.00 C ATOM 1154 C PHE A 74 -5.050 7.087 5.650 1.00 0.00 C ATOM 1155 O PHE A 74 -5.293 8.002 4.864 1.00 0.00 O ATOM 1156 CB PHE A 74 -6.001 4.789 5.081 1.00 0.00 C ATOM 1157 CG PHE A 74 -7.128 5.316 4.218 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.126 5.064 2.833 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -8.199 6.021 4.802 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.195 5.508 2.039 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.267 6.468 4.003 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.265 6.206 2.624 1.00 0.00 C ATOM 0 H PHE A 74 -4.092 4.087 6.353 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.342 5.807 4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.719 3.802 4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.375 4.658 6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.303 4.530 2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.200 6.218 5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.195 5.313 0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.087 7.011 4.450 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.088 6.542 2.011 1.00 0.00 H new ATOM 1172 N SER A 75 -4.950 7.299 6.966 1.00 0.00 N ATOM 1173 CA SER A 75 -5.029 8.602 7.644 1.00 0.00 C ATOM 1174 C SER A 75 -3.853 9.551 7.357 1.00 0.00 C ATOM 1175 O SER A 75 -3.988 10.761 7.546 1.00 0.00 O ATOM 1176 CB SER A 75 -5.104 8.369 9.157 1.00 0.00 C ATOM 1177 OG SER A 75 -4.096 7.456 9.575 1.00 0.00 O ATOM 0 H SER A 75 -4.805 6.531 7.621 1.00 0.00 H new ATOM 0 HA SER A 75 -5.921 9.090 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.984 9.316 9.682 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.087 7.980 9.422 1.00 0.00 H new ATOM 0 HG SER A 75 -4.158 7.321 10.544 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.706 9.040 6.893 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.520 9.846 6.557 1.00 0.00 C ATOM 1185 C GLU A 76 -1.589 10.427 5.129 1.00 0.00 C ATOM 1186 O GLU A 76 -0.871 11.377 4.806 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.231 9.017 6.739 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.034 8.484 8.169 1.00 0.00 C ATOM 1189 CD GLU A 76 1.248 7.636 8.299 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.358 8.132 7.988 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.167 6.460 8.729 1.00 0.00 O ATOM 0 H GLU A 76 -2.571 8.041 6.737 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.502 10.689 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.250 8.175 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.627 9.632 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.014 9.322 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.897 7.882 8.454 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.465 9.879 4.277 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.730 10.356 2.915 1.00 0.00 C ATOM 1200 C LEU A 77 -3.603 11.626 2.896 1.00 0.00 C ATOM 1201 O LEU A 77 -4.366 11.889 3.830 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.423 9.246 2.104 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.656 7.921 1.954 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.521 6.973 1.120 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.308 8.089 1.259 1.00 0.00 C ATOM 0 H LEU A 77 -3.027 9.065 4.526 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.769 10.611 2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.384 9.032 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.633 9.633 1.107 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.457 7.532 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.003 6.022 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.471 6.805 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.706 7.416 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.815 7.120 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.462 8.497 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.683 8.770 1.837 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.546 12.381 1.791 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.522 13.437 1.463 1.00 0.00 C ATOM 1219 C ARG A 78 -5.780 12.871 0.811 1.00 0.00 C ATOM 1220 O ARG A 78 -5.802 11.738 0.323 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.878 14.536 0.593 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.900 15.424 1.376 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.625 16.245 2.455 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.712 17.193 3.123 1.00 0.00 N ATOM 1225 CZ ARG A 78 -1.897 16.945 4.135 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -1.802 15.765 4.683 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.148 17.892 4.620 1.00 0.00 N ATOM 0 H ARG A 78 -2.813 12.277 1.089 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.833 13.894 2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.351 14.070 -0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.663 15.159 0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.136 14.802 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.387 16.097 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.451 16.793 2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.057 15.572 3.196 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.709 18.148 2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.369 14.993 4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.161 15.615 5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.188 18.829 4.220 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.521 17.697 5.400 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.834 13.687 0.808 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.187 13.274 0.434 1.00 0.00 C ATOM 1243 C TRP A 79 -8.262 12.646 -0.971 1.00 0.00 C ATOM 1244 O TRP A 79 -8.947 11.642 -1.143 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.163 14.453 0.627 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.166 14.682 -0.464 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.427 14.198 -0.515 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.988 15.456 -1.688 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.035 14.610 -1.688 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.188 15.384 -2.454 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.919 16.203 -2.227 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.322 16.023 -3.697 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.039 16.847 -3.473 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.236 16.757 -4.208 1.00 0.00 C ATOM 0 H TRP A 79 -6.771 14.671 1.070 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.493 12.470 1.103 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.705 14.297 1.560 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.577 15.364 0.747 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.889 13.584 0.244 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.991 14.371 -1.953 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.994 16.282 -1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.245 15.952 -4.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.208 17.413 -3.867 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.321 17.251 -5.164 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.519 13.163 -1.954 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.544 12.670 -3.341 1.00 0.00 C ATOM 1267 C ASP A 80 -6.913 11.271 -3.505 1.00 0.00 C ATOM 1268 O ASP A 80 -7.355 10.478 -4.336 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.828 13.689 -4.238 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.914 13.315 -5.729 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.023 13.387 -6.310 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.865 12.984 -6.332 1.00 0.00 O ATOM 0 H ASP A 80 -6.877 13.942 -1.812 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.588 12.562 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.267 14.675 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.781 13.758 -3.942 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.921 10.932 -2.677 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.292 9.614 -2.645 1.00 0.00 C ATOM 1279 C ASP A 81 -6.131 8.649 -1.809 1.00 0.00 C ATOM 1280 O ASP A 81 -6.278 7.499 -2.205 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.852 9.705 -2.128 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.919 10.346 -3.163 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.696 9.728 -4.232 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.391 11.449 -2.895 1.00 0.00 O ATOM 0 H ASP A 81 -5.526 11.582 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.245 9.225 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.832 10.289 -1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.490 8.707 -1.880 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.783 9.115 -0.739 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.831 8.356 -0.053 1.00 0.00 C ATOM 1291 C GLN A 82 -8.957 7.957 -1.020 1.00 0.00 C ATOM 1292 O GLN A 82 -9.321 6.782 -1.071 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.387 9.167 1.128 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.401 9.246 2.300 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.916 10.097 3.462 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.852 10.881 3.357 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.309 9.992 4.623 1.00 0.00 N ATOM 0 H GLN A 82 -6.598 10.029 -0.325 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.388 7.437 0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.628 10.175 0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.318 8.714 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.193 8.239 2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.457 9.659 1.945 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.528 9.346 4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.619 10.557 5.414 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.455 8.881 -1.857 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.507 8.563 -2.835 1.00 0.00 C ATOM 1308 C GLN A 83 -10.035 7.517 -3.855 1.00 0.00 C ATOM 1309 O GLN A 83 -10.806 6.635 -4.221 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.001 9.807 -3.605 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.610 10.975 -2.809 1.00 0.00 C ATOM 1312 CD GLN A 83 -12.272 10.575 -1.492 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -13.394 10.086 -1.447 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -11.600 10.755 -0.376 1.00 0.00 N ATOM 0 H GLN A 83 -9.146 9.853 -1.876 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.334 8.162 -2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.159 10.199 -4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.747 9.474 -4.327 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.825 11.702 -2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.349 11.476 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.665 11.162 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.014 10.488 0.517 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.771 7.572 -4.291 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.190 6.732 -5.330 1.00 0.00 C ATOM 1325 C LYS A 84 -7.804 5.370 -4.767 1.00 0.00 C ATOM 1326 O LYS A 84 -8.022 4.376 -5.446 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.028 7.538 -5.939 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.152 6.811 -6.965 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.971 6.074 -6.318 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.986 6.928 -5.505 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.379 8.035 -6.288 1.00 0.00 N ATOM 0 H LYS A 84 -8.099 8.236 -3.907 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.896 6.493 -6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.442 8.427 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.388 7.880 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.763 6.096 -7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.773 7.532 -7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.371 5.300 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.413 5.568 -7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.505 7.345 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.193 6.287 -5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.904 8.697 -5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.685 7.646 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.123 8.537 -6.813 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.318 5.285 -3.526 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.072 3.996 -2.842 1.00 0.00 C ATOM 1347 C VAL A 85 -8.400 3.267 -2.609 1.00 0.00 C ATOM 1348 O VAL A 85 -8.495 2.079 -2.919 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.291 4.191 -1.520 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.204 2.918 -0.660 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.845 4.632 -1.784 1.00 0.00 C ATOM 0 H VAL A 85 -7.082 6.101 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.446 3.378 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.857 4.954 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.643 3.131 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.209 2.587 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.699 2.133 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.325 4.760 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.336 3.873 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.846 5.577 -2.327 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.458 3.967 -2.168 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.799 3.367 -2.018 1.00 0.00 C ATOM 1363 C LYS A 86 -11.428 2.994 -3.366 1.00 0.00 C ATOM 1364 O LYS A 86 -11.958 1.893 -3.494 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.722 4.264 -1.168 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.210 4.352 0.282 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.200 4.919 1.314 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.471 4.073 1.418 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.252 4.375 2.647 1.00 0.00 N ATOM 0 H LYS A 86 -9.413 4.952 -1.908 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.672 2.429 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.769 5.262 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.736 3.864 -1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.914 3.353 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.312 4.970 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.717 4.968 2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.466 5.939 1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.095 4.249 0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.203 3.016 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.198 3.950 2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.762 3.981 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.343 5.405 2.756 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.281 3.826 -4.404 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.709 3.494 -5.780 1.00 0.00 C ATOM 1385 C LYS A 87 -10.959 2.296 -6.347 1.00 0.00 C ATOM 1386 O LYS A 87 -11.571 1.425 -6.951 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.550 4.719 -6.699 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.718 5.702 -6.534 1.00 0.00 C ATOM 1389 CD LYS A 87 -13.932 5.207 -7.330 1.00 0.00 C ATOM 1390 CE LYS A 87 -15.236 5.938 -6.981 1.00 0.00 C ATOM 1391 NZ LYS A 87 -15.694 5.625 -5.602 1.00 0.00 N ATOM 0 H LYS A 87 -10.862 4.752 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.762 3.216 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.612 5.226 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.493 4.391 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.978 5.798 -5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.423 6.692 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.732 5.328 -8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.064 4.140 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.087 7.013 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.012 5.658 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.717 5.795 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.492 4.628 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.193 6.233 -4.923 1.00 0.00 H new ATOM 1405 N THR A 88 -9.661 2.198 -6.088 1.00 0.00 N ATOM 1406 CA THR A 88 -8.828 1.054 -6.479 1.00 0.00 C ATOM 1407 C THR A 88 -9.202 -0.226 -5.719 1.00 0.00 C ATOM 1408 O THR A 88 -9.161 -1.309 -6.305 1.00 0.00 O ATOM 1409 CB THR A 88 -7.335 1.381 -6.360 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.042 2.543 -7.105 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.489 0.303 -7.010 1.00 0.00 C ATOM 0 H THR A 88 -9.142 2.922 -5.591 1.00 0.00 H new ATOM 0 HA THR A 88 -9.032 0.855 -7.531 1.00 0.00 H new ATOM 0 HB THR A 88 -7.121 1.484 -5.296 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.352 3.333 -6.615 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.434 0.559 -6.911 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.677 -0.652 -6.520 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.747 0.226 -8.066 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.666 -0.122 -4.469 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.194 -1.244 -3.697 1.00 0.00 C ATOM 1421 C ALA A 89 -11.562 -1.706 -4.233 1.00 0.00 C ATOM 1422 O ALA A 89 -11.818 -2.908 -4.312 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.261 -0.838 -2.220 1.00 0.00 C ATOM 0 H ALA A 89 -9.684 0.761 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.527 -2.100 -3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.654 -1.668 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.262 -0.584 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.915 0.027 -2.110 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.410 -0.771 -4.682 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.656 -1.098 -5.391 1.00 0.00 C ATOM 1431 C GLU A 90 -13.394 -1.721 -6.776 1.00 0.00 C ATOM 1432 O GLU A 90 -14.110 -2.630 -7.204 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.545 0.149 -5.548 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.148 0.654 -4.232 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.067 1.866 -4.480 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.563 2.961 -4.830 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.306 1.735 -4.329 1.00 0.00 O ATOM 0 H GLU A 90 -12.253 0.230 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.174 -1.838 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.956 0.949 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.354 -0.079 -6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.715 -0.146 -3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.350 0.932 -3.544 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.352 -1.253 -7.468 1.00 0.00 N ATOM 1445 CA ALA A 91 -11.947 -1.680 -8.806 1.00 0.00 C ATOM 1446 C ALA A 91 -11.155 -3.009 -8.828 1.00 0.00 C ATOM 1447 O ALA A 91 -11.107 -3.683 -9.860 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.130 -0.526 -9.407 1.00 0.00 C ATOM 0 H ALA A 91 -11.739 -0.531 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 91 -12.837 -1.894 -9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.802 -0.796 -10.411 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.748 0.370 -9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.259 -0.332 -8.781 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.525 -3.386 -7.709 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.631 -4.547 -7.594 1.00 0.00 C ATOM 1456 C GLY A 92 -8.259 -4.367 -8.270 1.00 0.00 C ATOM 1457 O GLY A 92 -7.563 -5.356 -8.510 1.00 0.00 O ATOM 0 H GLY A 92 -10.626 -2.877 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.475 -4.766 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.126 -5.415 -8.030 1.00 0.00 H new ATOM 1461 N GLY A 93 -7.881 -3.131 -8.613 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.662 -2.789 -9.350 1.00 0.00 C ATOM 1463 C GLY A 93 -6.805 -1.498 -10.159 1.00 0.00 C ATOM 1464 O GLY A 93 -7.878 -1.183 -10.677 1.00 0.00 O ATOM 0 H GLY A 93 -8.438 -2.310 -8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.835 -2.683 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.407 -3.608 -10.022 1.00 0.00 H new