USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 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 87 LYS NZ :NH3+ 149:sc= 0.851 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot 92:sc= 1.98 USER MOD Set 2.1: A 21 CYS SG : rot 151:sc= 0.921 USER MOD Set 2.2: A 24 CYS SG : rot -55:sc= 0.661 USER MOD Set 2.3: A 53 HIS : no HD1:sc= 0.256 K(o=3.7,f=3) USER MOD Set 2.4: A 56 CYS SG : rot 143:sc= 0.579 USER MOD Set 2.5: A 59 LYS NZ :NH3+ -175:sc= 1.3 (180deg=0) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0.25 USER MOD Set 3.2: A 30 LYS NZ :NH3+ 166:sc= 1.32 (180deg=1.2) USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.19) USER MOD Single : A 9 TYR OH : rot -122:sc= 0.0455 USER MOD Single : A 13 TYR OH : rot -30:sc= 1.73 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 2.52 (180deg=2.39) USER MOD Single : A 20 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+ -117:sc= 0.00184 (180deg=0) USER MOD Single : A 25 SER OG : rot -27:sc= 0.88 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -160:sc= -0.0292 (180deg=-0.782) USER MOD Single : A 38 MET CE :methyl -173:sc= -1.58 (180deg=-2.04) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 41 SER OG : rot 170:sc= 0.818 USER MOD Single : A 43 MET CE :methyl -146:sc=-0.00299 (180deg=-0.111) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 1.09 (180deg=1.03) USER MOD Single : A 50 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.39) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00473 USER MOD Single : A 62 HIS : no HD1:sc=-0.000354 X(o=-0.00035,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.00038) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.06 K(o=1.1,f=-0.93) USER MOD Single : A 83 GLN : amide:sc= 0.745 K(o=0.74,f=-0.45) USER MOD Single : A 84 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.01) USER MOD Single : A 86 LYS NZ :NH3+ 147:sc= 1.27 (180deg=0.86) USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -3.185 -5.512 11.641 1.00 0.00 N ATOM 80 CA LYS A 7 -3.768 -5.164 10.338 1.00 0.00 C ATOM 81 C LYS A 7 -3.483 -6.267 9.322 1.00 0.00 C ATOM 82 O LYS A 7 -2.842 -7.272 9.648 1.00 0.00 O ATOM 83 CB LYS A 7 -3.249 -3.785 9.883 1.00 0.00 C ATOM 84 CG LYS A 7 -3.579 -2.664 10.884 1.00 0.00 C ATOM 85 CD LYS A 7 -2.369 -2.289 11.748 1.00 0.00 C ATOM 86 CE LYS A 7 -2.785 -1.266 12.811 1.00 0.00 C ATOM 87 NZ LYS A 7 -1.631 -0.456 13.273 1.00 0.00 N ATOM 0 HA LYS A 7 -4.852 -5.087 10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.169 -3.836 9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.683 -3.540 8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.923 -1.784 10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.399 -2.983 11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.963 -3.180 12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.578 -1.875 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.552 -0.608 12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.230 -1.784 13.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.936 0.178 14.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.882 -1.087 13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.265 0.110 12.481 1.00 0.00 H new ATOM 101 N LEU A 8 -3.920 -6.056 8.087 1.00 0.00 N ATOM 102 CA LEU A 8 -3.531 -6.835 6.909 1.00 0.00 C ATOM 103 C LEU A 8 -2.680 -6.025 5.933 1.00 0.00 C ATOM 104 O LEU A 8 -1.914 -6.606 5.165 1.00 0.00 O ATOM 105 CB LEU A 8 -4.807 -7.281 6.179 1.00 0.00 C ATOM 106 CG LEU A 8 -5.756 -8.190 6.970 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.042 -8.346 6.159 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.133 -9.561 7.224 1.00 0.00 C ATOM 0 H LEU A 8 -4.580 -5.311 7.866 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.938 -7.684 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.358 -6.390 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.516 -7.801 5.266 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.961 -7.740 7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.737 -8.989 6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.497 -7.367 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.810 -8.793 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.832 -10.180 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.909 -10.041 6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.212 -9.442 7.796 1.00 0.00 H new ATOM 120 N TYR A 9 -2.816 -4.699 5.948 1.00 0.00 N ATOM 121 CA TYR A 9 -2.404 -3.825 4.853 1.00 0.00 C ATOM 122 C TYR A 9 -1.825 -2.509 5.391 1.00 0.00 C ATOM 123 O TYR A 9 -2.112 -2.092 6.514 1.00 0.00 O ATOM 124 CB TYR A 9 -3.617 -3.565 3.934 1.00 0.00 C ATOM 125 CG TYR A 9 -4.383 -4.782 3.432 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.706 -5.833 2.790 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.780 -4.860 3.602 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.407 -6.961 2.325 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.490 -5.989 3.147 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.804 -7.043 2.500 1.00 0.00 C ATOM 131 OH TYR A 9 -6.478 -8.132 2.042 1.00 0.00 O ATOM 0 H TYR A 9 -3.223 -4.195 6.736 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.617 -4.312 4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.316 -2.923 4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.270 -3.003 3.067 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.636 -5.774 2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.309 -4.051 4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.876 -7.763 1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.558 -6.049 3.292 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.168 -7.847 1.408 1.00 0.00 H new ATOM 141 N ARG A 10 -1.018 -1.837 4.569 1.00 0.00 N ATOM 142 CA ARG A 10 -0.353 -0.556 4.847 1.00 0.00 C ATOM 143 C ARG A 10 -0.332 0.293 3.572 1.00 0.00 C ATOM 144 O ARG A 10 -0.209 -0.259 2.483 1.00 0.00 O ATOM 145 CB ARG A 10 1.060 -0.847 5.404 1.00 0.00 C ATOM 146 CG ARG A 10 2.086 0.307 5.449 1.00 0.00 C ATOM 147 CD ARG A 10 1.746 1.363 6.513 1.00 0.00 C ATOM 148 NE ARG A 10 2.642 2.540 6.499 1.00 0.00 N ATOM 149 CZ ARG A 10 2.494 3.617 7.259 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.623 3.711 8.213 1.00 0.00 N ATOM 151 NH2 ARG A 10 3.214 4.684 7.103 1.00 0.00 N ATOM 0 H ARG A 10 -0.796 -2.189 3.638 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.893 0.019 5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.944 -1.228 6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.492 -1.652 4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.076 -0.101 5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.132 0.785 4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.720 1.698 6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.788 0.898 7.498 1.00 0.00 H new ATOM 0 HE ARG A 10 3.434 2.522 5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.001 2.928 8.415 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.559 4.568 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.927 4.716 6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.068 5.491 7.709 1.00 0.00 H new ATOM 165 N VAL A 11 -0.435 1.614 3.691 1.00 0.00 N ATOM 166 CA VAL A 11 -0.258 2.596 2.605 1.00 0.00 C ATOM 167 C VAL A 11 0.435 3.853 3.132 1.00 0.00 C ATOM 168 O VAL A 11 0.203 4.256 4.272 1.00 0.00 O ATOM 169 CB VAL A 11 -1.619 2.918 1.957 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.512 3.834 2.802 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.466 3.604 0.594 1.00 0.00 C ATOM 0 H VAL A 11 -0.654 2.057 4.583 1.00 0.00 H new ATOM 0 HA VAL A 11 0.384 2.170 1.834 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.088 1.939 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.450 4.013 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.718 3.358 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.004 4.784 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.452 3.810 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.921 4.540 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.916 2.950 -0.083 1.00 0.00 H new ATOM 181 N GLU A 12 1.292 4.481 2.327 1.00 0.00 N ATOM 182 CA GLU A 12 1.891 5.779 2.658 1.00 0.00 C ATOM 183 C GLU A 12 2.423 6.553 1.451 1.00 0.00 C ATOM 184 O GLU A 12 2.763 5.986 0.410 1.00 0.00 O ATOM 185 CB GLU A 12 3.029 5.618 3.686 1.00 0.00 C ATOM 186 CG GLU A 12 4.265 4.858 3.172 1.00 0.00 C ATOM 187 CD GLU A 12 5.474 4.976 4.111 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.269 5.179 5.333 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.624 4.888 3.622 1.00 0.00 O ATOM 0 H GLU A 12 1.592 4.107 1.427 1.00 0.00 H new ATOM 0 HA GLU A 12 1.072 6.363 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.342 6.608 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.638 5.097 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.011 3.806 3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.537 5.241 2.188 1.00 0.00 H new ATOM 196 N TYR A 13 2.607 7.855 1.665 1.00 0.00 N ATOM 197 CA TYR A 13 3.620 8.634 0.962 1.00 0.00 C ATOM 198 C TYR A 13 5.016 8.255 1.485 1.00 0.00 C ATOM 199 O TYR A 13 5.236 8.185 2.698 1.00 0.00 O ATOM 200 CB TYR A 13 3.334 10.130 1.157 1.00 0.00 C ATOM 201 CG TYR A 13 1.966 10.633 0.711 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.218 9.958 -0.279 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.462 11.824 1.269 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.015 10.511 -0.756 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.244 12.365 0.813 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.466 11.725 -0.225 1.00 0.00 C ATOM 207 OH TYR A 13 -1.606 12.285 -0.706 1.00 0.00 O ATOM 0 H TYR A 13 2.057 8.398 2.331 1.00 0.00 H new ATOM 0 HA TYR A 13 3.590 8.416 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.453 10.363 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.095 10.694 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.570 9.015 -0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.013 12.325 2.051 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.541 10.004 -1.531 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.146 13.269 1.257 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.712 12.050 -1.651 1.00 0.00 H new ATOM 217 N ALA A 14 5.948 7.997 0.570 1.00 0.00 N ATOM 218 CA ALA A 14 7.298 7.521 0.853 1.00 0.00 C ATOM 219 C ALA A 14 8.199 8.617 1.451 1.00 0.00 C ATOM 220 O ALA A 14 8.476 9.628 0.797 1.00 0.00 O ATOM 221 CB ALA A 14 7.881 6.979 -0.456 1.00 0.00 C ATOM 0 H ALA A 14 5.775 8.119 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 14 7.252 6.737 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.893 6.614 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.259 6.162 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.907 7.775 -1.200 1.00 0.00 H new ATOM 227 N LYS A 15 8.708 8.387 2.671 1.00 0.00 N ATOM 228 CA LYS A 15 9.568 9.341 3.407 1.00 0.00 C ATOM 229 C LYS A 15 10.925 9.498 2.720 1.00 0.00 C ATOM 230 O LYS A 15 11.373 10.620 2.495 1.00 0.00 O ATOM 231 CB LYS A 15 9.761 8.899 4.876 1.00 0.00 C ATOM 232 CG LYS A 15 8.572 9.182 5.811 1.00 0.00 C ATOM 233 CD LYS A 15 7.290 8.470 5.374 1.00 0.00 C ATOM 234 CE LYS A 15 6.157 8.621 6.382 1.00 0.00 C ATOM 235 NZ LYS A 15 4.966 7.904 5.880 1.00 0.00 N ATOM 0 H LYS A 15 8.535 7.523 3.185 1.00 0.00 H new ATOM 0 HA LYS A 15 9.064 10.308 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.967 7.829 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.643 9.400 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.829 8.869 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.391 10.256 5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.969 8.868 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.500 7.411 5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.458 8.219 7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.926 9.675 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.147 8.127 6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.768 8.201 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.143 6.879 5.902 1.00 0.00 H new ATOM 249 N SER A 16 11.528 8.366 2.356 1.00 0.00 N ATOM 250 CA SER A 16 12.785 8.203 1.610 1.00 0.00 C ATOM 251 C SER A 16 12.784 6.859 0.867 1.00 0.00 C ATOM 252 O SER A 16 11.949 5.987 1.139 1.00 0.00 O ATOM 253 CB SER A 16 13.993 8.288 2.557 1.00 0.00 C ATOM 254 OG SER A 16 14.279 9.648 2.855 1.00 0.00 O ATOM 0 H SER A 16 11.119 7.462 2.593 1.00 0.00 H new ATOM 0 HA SER A 16 12.864 9.010 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.784 7.741 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.861 7.817 2.096 1.00 0.00 H new ATOM 0 HG SER A 16 15.048 9.695 3.460 1.00 0.00 H new ATOM 260 N GLY A 17 13.716 6.671 -0.072 1.00 0.00 N ATOM 261 CA GLY A 17 13.963 5.391 -0.751 1.00 0.00 C ATOM 262 C GLY A 17 14.596 4.358 0.189 1.00 0.00 C ATOM 263 O GLY A 17 15.803 4.122 0.134 1.00 0.00 O ATOM 0 H GLY A 17 14.334 7.418 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.023 5.000 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.619 5.554 -1.606 1.00 0.00 H new ATOM 267 N ARG A 18 13.782 3.769 1.073 1.00 0.00 N ATOM 268 CA ARG A 18 14.194 2.852 2.158 1.00 0.00 C ATOM 269 C ARG A 18 13.400 1.529 2.188 1.00 0.00 C ATOM 270 O ARG A 18 13.570 0.723 3.105 1.00 0.00 O ATOM 271 CB ARG A 18 14.157 3.666 3.474 1.00 0.00 C ATOM 272 CG ARG A 18 14.628 2.967 4.762 1.00 0.00 C ATOM 273 CD ARG A 18 15.988 2.262 4.623 1.00 0.00 C ATOM 274 NE ARG A 18 16.313 1.467 5.823 1.00 0.00 N ATOM 275 CZ ARG A 18 15.867 0.257 6.112 1.00 0.00 C ATOM 276 NH1 ARG A 18 15.005 -0.375 5.362 1.00 0.00 N ATOM 277 NH2 ARG A 18 16.285 -0.350 7.186 1.00 0.00 N ATOM 0 H ARG A 18 12.774 3.921 1.056 1.00 0.00 H new ATOM 0 HA ARG A 18 15.209 2.493 1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.768 4.558 3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.132 4.003 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.691 3.704 5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.878 2.235 5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.974 1.612 3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.768 3.005 4.456 1.00 0.00 H new ATOM 0 HE ARG A 18 16.946 1.895 6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.648 0.065 4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.689 -1.308 5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.956 0.109 7.803 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.942 -1.284 7.410 1.00 0.00 H new ATOM 291 N ALA A 19 12.559 1.288 1.182 1.00 0.00 N ATOM 292 CA ALA A 19 11.771 0.065 1.006 1.00 0.00 C ATOM 293 C ALA A 19 11.990 -0.549 -0.390 1.00 0.00 C ATOM 294 O ALA A 19 12.228 0.170 -1.366 1.00 0.00 O ATOM 295 CB ALA A 19 10.293 0.386 1.266 1.00 0.00 C ATOM 0 H ALA A 19 12.401 1.966 0.437 1.00 0.00 H new ATOM 0 HA ALA A 19 12.101 -0.686 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.696 -0.517 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.175 0.757 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.956 1.146 0.561 1.00 0.00 H new ATOM 301 N SER A 20 11.877 -1.875 -0.492 1.00 0.00 N ATOM 302 CA SER A 20 12.058 -2.642 -1.731 1.00 0.00 C ATOM 303 C SER A 20 10.764 -3.349 -2.136 1.00 0.00 C ATOM 304 O SER A 20 10.012 -3.819 -1.279 1.00 0.00 O ATOM 305 CB SER A 20 13.235 -3.620 -1.617 1.00 0.00 C ATOM 306 OG SER A 20 13.077 -4.503 -0.516 1.00 0.00 O ATOM 0 H SER A 20 11.650 -2.465 0.309 1.00 0.00 H new ATOM 0 HA SER A 20 12.305 -1.939 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.319 -4.197 -2.538 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.164 -3.061 -1.505 1.00 0.00 H new ATOM 0 HG SER A 20 13.843 -5.113 -0.474 1.00 0.00 H new ATOM 312 N CYS A 21 10.490 -3.404 -3.442 1.00 0.00 N ATOM 313 CA CYS A 21 9.275 -3.997 -3.985 1.00 0.00 C ATOM 314 C CYS A 21 9.409 -5.524 -4.045 1.00 0.00 C ATOM 315 O CYS A 21 10.190 -6.075 -4.829 1.00 0.00 O ATOM 316 CB CYS A 21 8.999 -3.363 -5.346 1.00 0.00 C ATOM 317 SG CYS A 21 7.380 -3.914 -5.997 1.00 0.00 S ATOM 0 H CYS A 21 11.116 -3.032 -4.157 1.00 0.00 H new ATOM 0 HA CYS A 21 8.419 -3.797 -3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.010 -2.277 -5.256 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.790 -3.633 -6.046 1.00 0.00 H new ATOM 0 HG CYS A 21 6.877 -2.984 -6.753 1.00 0.00 H new ATOM 322 N LYS A 22 8.627 -6.223 -3.220 1.00 0.00 N ATOM 323 CA LYS A 22 8.641 -7.697 -3.133 1.00 0.00 C ATOM 324 C LYS A 22 8.050 -8.374 -4.381 1.00 0.00 C ATOM 325 O LYS A 22 8.195 -9.588 -4.543 1.00 0.00 O ATOM 326 CB LYS A 22 7.875 -8.150 -1.876 1.00 0.00 C ATOM 327 CG LYS A 22 8.260 -7.450 -0.564 1.00 0.00 C ATOM 328 CD LYS A 22 9.667 -7.765 -0.044 1.00 0.00 C ATOM 329 CE LYS A 22 9.832 -9.250 0.311 1.00 0.00 C ATOM 330 NZ LYS A 22 11.177 -9.529 0.878 1.00 0.00 N ATOM 0 H LYS A 22 7.959 -5.785 -2.586 1.00 0.00 H new ATOM 0 HA LYS A 22 9.684 -8.006 -3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.810 -7.995 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.025 -9.222 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.176 -6.373 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.536 -7.727 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.403 -7.489 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.872 -7.157 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.066 -9.541 1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.679 -9.857 -0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.254 -10.541 1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.907 -9.274 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.312 -8.967 1.743 1.00 0.00 H new ATOM 344 N LYS A 23 7.376 -7.602 -5.243 1.00 0.00 N ATOM 345 CA LYS A 23 6.618 -8.081 -6.412 1.00 0.00 C ATOM 346 C LYS A 23 7.399 -7.966 -7.727 1.00 0.00 C ATOM 347 O LYS A 23 7.484 -8.962 -8.447 1.00 0.00 O ATOM 348 CB LYS A 23 5.264 -7.351 -6.449 1.00 0.00 C ATOM 349 CG LYS A 23 4.351 -7.705 -7.633 1.00 0.00 C ATOM 350 CD LYS A 23 4.020 -9.203 -7.729 1.00 0.00 C ATOM 351 CE LYS A 23 2.966 -9.416 -8.819 1.00 0.00 C ATOM 352 NZ LYS A 23 2.640 -10.855 -9.008 1.00 0.00 N ATOM 0 H LYS A 23 7.341 -6.587 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 23 6.442 -9.151 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.730 -7.567 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.451 -6.277 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.422 -7.141 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.831 -7.388 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.920 -9.773 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.649 -9.568 -6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.059 -8.871 -8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.328 -9.000 -9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.905 -11.148 -9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.167 -11.424 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.619 -11.001 -8.871 1.00 0.00 H new ATOM 366 N CYS A 24 7.981 -6.797 -8.028 1.00 0.00 N ATOM 367 CA CYS A 24 8.752 -6.562 -9.262 1.00 0.00 C ATOM 368 C CYS A 24 10.284 -6.442 -9.056 1.00 0.00 C ATOM 369 O CYS A 24 11.038 -6.298 -10.023 1.00 0.00 O ATOM 370 CB CYS A 24 8.097 -5.445 -10.098 1.00 0.00 C ATOM 371 SG CYS A 24 8.457 -3.754 -9.494 1.00 0.00 S ATOM 0 H CYS A 24 7.931 -5.980 -7.419 1.00 0.00 H new ATOM 0 HA CYS A 24 8.696 -7.468 -9.865 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.437 -5.531 -11.130 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.017 -5.595 -10.104 1.00 0.00 H new ATOM 0 HG CYS A 24 8.118 -3.659 -8.242 1.00 0.00 H new ATOM 376 N SER A 25 10.757 -6.607 -7.811 1.00 0.00 N ATOM 377 CA SER A 25 12.171 -6.659 -7.383 1.00 0.00 C ATOM 378 C SER A 25 13.009 -5.385 -7.613 1.00 0.00 C ATOM 379 O SER A 25 14.239 -5.414 -7.503 1.00 0.00 O ATOM 380 CB SER A 25 12.863 -7.952 -7.851 1.00 0.00 C ATOM 381 OG SER A 25 13.161 -7.950 -9.239 1.00 0.00 O ATOM 0 H SER A 25 10.122 -6.715 -7.020 1.00 0.00 H new ATOM 0 HA SER A 25 12.118 -6.690 -6.295 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.786 -8.088 -7.287 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.222 -8.804 -7.624 1.00 0.00 H new ATOM 0 HG SER A 25 12.531 -7.364 -9.708 1.00 0.00 H new ATOM 387 N GLU A 26 12.358 -4.247 -7.873 1.00 0.00 N ATOM 388 CA GLU A 26 12.974 -2.910 -7.818 1.00 0.00 C ATOM 389 C GLU A 26 12.871 -2.326 -6.392 1.00 0.00 C ATOM 390 O GLU A 26 12.434 -3.008 -5.461 1.00 0.00 O ATOM 391 CB GLU A 26 12.334 -1.984 -8.873 1.00 0.00 C ATOM 392 CG GLU A 26 12.505 -2.491 -10.312 1.00 0.00 C ATOM 393 CD GLU A 26 12.221 -1.373 -11.336 1.00 0.00 C ATOM 394 OE1 GLU A 26 11.045 -0.972 -11.509 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.182 -0.886 -11.981 1.00 0.00 O ATOM 0 H GLU A 26 11.372 -4.224 -8.132 1.00 0.00 H new ATOM 0 HA GLU A 26 14.034 -2.993 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.271 -1.879 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.776 -0.991 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.519 -2.865 -10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.830 -3.329 -10.488 1.00 0.00 H new ATOM 402 N SER A 27 13.249 -1.059 -6.201 1.00 0.00 N ATOM 403 CA SER A 27 13.094 -0.342 -4.925 1.00 0.00 C ATOM 404 C SER A 27 12.220 0.905 -5.059 1.00 0.00 C ATOM 405 O SER A 27 12.120 1.499 -6.133 1.00 0.00 O ATOM 406 CB SER A 27 14.441 -0.038 -4.277 1.00 0.00 C ATOM 407 OG SER A 27 15.130 -1.230 -3.938 1.00 0.00 O ATOM 0 H SER A 27 13.676 -0.493 -6.934 1.00 0.00 H new ATOM 0 HA SER A 27 12.564 -1.014 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.050 0.555 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.288 0.564 -3.381 1.00 0.00 H new ATOM 0 HG SER A 27 15.990 -1.005 -3.526 1.00 0.00 H new ATOM 413 N ILE A 28 11.511 1.247 -3.984 1.00 0.00 N ATOM 414 CA ILE A 28 10.331 2.119 -4.024 1.00 0.00 C ATOM 415 C ILE A 28 10.734 3.561 -3.644 1.00 0.00 C ATOM 416 O ILE A 28 11.073 3.798 -2.480 1.00 0.00 O ATOM 417 CB ILE A 28 9.223 1.551 -3.109 1.00 0.00 C ATOM 418 CG1 ILE A 28 8.900 0.060 -3.384 1.00 0.00 C ATOM 419 CG2 ILE A 28 7.947 2.385 -3.315 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.158 -0.607 -2.219 1.00 0.00 C ATOM 0 H ILE A 28 11.741 0.923 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 28 9.925 2.152 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 28 9.587 1.610 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.294 -0.016 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.827 -0.480 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.153 1.998 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.146 3.425 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.636 2.323 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.957 -1.650 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.773 -0.558 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.216 -0.088 -2.043 1.00 0.00 H new ATOM 432 N PRO A 29 10.705 4.526 -4.585 1.00 0.00 N ATOM 433 CA PRO A 29 11.374 5.821 -4.437 1.00 0.00 C ATOM 434 C PRO A 29 10.687 6.800 -3.470 1.00 0.00 C ATOM 435 O PRO A 29 9.486 6.722 -3.206 1.00 0.00 O ATOM 436 CB PRO A 29 11.468 6.394 -5.857 1.00 0.00 C ATOM 437 CG PRO A 29 10.244 5.800 -6.549 1.00 0.00 C ATOM 438 CD PRO A 29 10.166 4.405 -5.935 1.00 0.00 C ATOM 0 HA PRO A 29 12.351 5.675 -3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.441 7.484 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.394 6.099 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.344 6.382 -6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.368 5.761 -7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.137 4.046 -5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.741 3.688 -6.521 1.00 0.00 H new ATOM 446 N LYS A 30 11.485 7.757 -2.974 1.00 0.00 N ATOM 447 CA LYS A 30 11.080 8.924 -2.166 1.00 0.00 C ATOM 448 C LYS A 30 9.975 9.751 -2.846 1.00 0.00 C ATOM 449 O LYS A 30 9.961 9.882 -4.071 1.00 0.00 O ATOM 450 CB LYS A 30 12.350 9.772 -1.945 1.00 0.00 C ATOM 451 CG LYS A 30 12.190 10.979 -1.008 1.00 0.00 C ATOM 452 CD LYS A 30 13.569 11.616 -0.751 1.00 0.00 C ATOM 453 CE LYS A 30 13.545 12.761 0.272 1.00 0.00 C ATOM 454 NZ LYS A 30 13.442 12.269 1.671 1.00 0.00 N ATOM 0 H LYS A 30 12.492 7.739 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 30 10.655 8.592 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.131 9.126 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.698 10.131 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.516 11.711 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.741 10.664 -0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.255 10.844 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.966 11.993 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.450 13.359 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.702 13.418 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.666 13.043 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.475 11.931 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.113 11.488 1.815 1.00 0.00 H new ATOM 468 N ASP A 31 9.084 10.343 -2.046 1.00 0.00 N ATOM 469 CA ASP A 31 7.991 11.227 -2.492 1.00 0.00 C ATOM 470 C ASP A 31 7.077 10.596 -3.572 1.00 0.00 C ATOM 471 O ASP A 31 6.721 11.217 -4.578 1.00 0.00 O ATOM 472 CB ASP A 31 8.553 12.618 -2.844 1.00 0.00 C ATOM 473 CG ASP A 31 7.458 13.686 -3.037 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.498 13.731 -2.229 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.582 14.522 -3.965 1.00 0.00 O ATOM 0 H ASP A 31 9.100 10.219 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 31 7.302 11.366 -1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.230 12.940 -2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.143 12.543 -3.757 1.00 0.00 H new ATOM 480 N SER A 32 6.709 9.329 -3.358 1.00 0.00 N ATOM 481 CA SER A 32 5.796 8.528 -4.188 1.00 0.00 C ATOM 482 C SER A 32 4.842 7.714 -3.299 1.00 0.00 C ATOM 483 O SER A 32 5.034 7.647 -2.084 1.00 0.00 O ATOM 484 CB SER A 32 6.612 7.619 -5.116 1.00 0.00 C ATOM 485 OG SER A 32 5.769 7.061 -6.113 1.00 0.00 O ATOM 0 H SER A 32 7.058 8.803 -2.557 1.00 0.00 H new ATOM 0 HA SER A 32 5.187 9.190 -4.804 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.414 8.189 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.082 6.823 -4.538 1.00 0.00 H new ATOM 0 HG SER A 32 6.297 6.483 -6.702 1.00 0.00 H new ATOM 491 N LEU A 33 3.803 7.105 -3.874 1.00 0.00 N ATOM 492 CA LEU A 33 2.803 6.316 -3.150 1.00 0.00 C ATOM 493 C LEU A 33 3.219 4.835 -3.108 1.00 0.00 C ATOM 494 O LEU A 33 3.537 4.241 -4.145 1.00 0.00 O ATOM 495 CB LEU A 33 1.428 6.545 -3.809 1.00 0.00 C ATOM 496 CG LEU A 33 0.245 5.873 -3.087 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.070 6.509 -1.733 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.017 5.992 -3.939 1.00 0.00 C ATOM 0 H LEU A 33 3.629 7.147 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 33 2.732 6.636 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.241 7.617 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.466 6.177 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 33 0.540 4.835 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.913 5.991 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.801 6.431 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.324 7.560 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.850 5.515 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.247 7.045 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.856 5.501 -4.899 1.00 0.00 H new ATOM 510 N ARG A 34 3.191 4.227 -1.919 1.00 0.00 N ATOM 511 CA ARG A 34 3.566 2.826 -1.675 1.00 0.00 C ATOM 512 C ARG A 34 2.568 2.136 -0.750 1.00 0.00 C ATOM 513 O ARG A 34 1.874 2.792 0.025 1.00 0.00 O ATOM 514 CB ARG A 34 5.022 2.731 -1.172 1.00 0.00 C ATOM 515 CG ARG A 34 5.297 3.304 0.229 1.00 0.00 C ATOM 516 CD ARG A 34 6.625 2.809 0.834 1.00 0.00 C ATOM 517 NE ARG A 34 7.833 3.363 0.180 1.00 0.00 N ATOM 518 CZ ARG A 34 8.843 3.984 0.768 1.00 0.00 C ATOM 519 NH1 ARG A 34 8.812 4.393 2.004 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.942 4.243 0.117 1.00 0.00 N ATOM 0 H ARG A 34 2.897 4.710 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 34 3.524 2.285 -2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.318 1.682 -1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.665 3.247 -1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.313 4.392 0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.478 3.031 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.648 3.067 1.893 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.657 1.721 0.770 1.00 0.00 H new ATOM 0 HE ARG A 34 7.893 3.254 -0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.978 4.240 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.622 4.867 2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.033 3.966 -0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.711 4.722 0.585 1.00 0.00 H new ATOM 534 N MET A 35 2.514 0.813 -0.829 1.00 0.00 N ATOM 535 CA MET A 35 1.680 -0.056 0.001 1.00 0.00 C ATOM 536 C MET A 35 2.505 -1.202 0.586 1.00 0.00 C ATOM 537 O MET A 35 3.591 -1.505 0.103 1.00 0.00 O ATOM 538 CB MET A 35 0.464 -0.571 -0.792 1.00 0.00 C ATOM 539 CG MET A 35 -0.593 0.519 -0.980 1.00 0.00 C ATOM 540 SD MET A 35 -2.137 0.029 -1.801 1.00 0.00 S ATOM 541 CE MET A 35 -2.974 -0.839 -0.442 1.00 0.00 C ATOM 0 H MET A 35 3.074 0.290 -1.502 1.00 0.00 H new ATOM 0 HA MET A 35 1.297 0.530 0.837 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.792 -0.932 -1.767 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.022 -1.420 -0.270 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.843 0.923 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.146 1.331 -1.554 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.745 -1.494 -0.849 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.248 -1.434 0.112 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.433 -0.111 0.227 1.00 0.00 H new ATOM 551 N ALA A 36 2.013 -1.815 1.657 1.00 0.00 N ATOM 552 CA ALA A 36 2.636 -2.969 2.296 1.00 0.00 C ATOM 553 C ALA A 36 1.584 -3.978 2.780 1.00 0.00 C ATOM 554 O ALA A 36 0.398 -3.653 2.880 1.00 0.00 O ATOM 555 CB ALA A 36 3.574 -2.497 3.420 1.00 0.00 C ATOM 0 H ALA A 36 1.152 -1.517 2.115 1.00 0.00 H new ATOM 0 HA ALA A 36 3.242 -3.501 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.037 -3.362 3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.349 -1.854 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.002 -1.940 4.161 1.00 0.00 H new ATOM 561 N ILE A 37 2.021 -5.197 3.103 1.00 0.00 N ATOM 562 CA ILE A 37 1.172 -6.267 3.642 1.00 0.00 C ATOM 563 C ILE A 37 1.699 -6.772 4.972 1.00 0.00 C ATOM 564 O ILE A 37 2.904 -6.898 5.164 1.00 0.00 O ATOM 565 CB ILE A 37 1.005 -7.386 2.595 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.336 -7.142 1.887 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.074 -8.811 3.158 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.513 -7.938 0.598 1.00 0.00 C ATOM 0 H ILE A 37 2.996 -5.476 2.996 1.00 0.00 H new ATOM 0 HA ILE A 37 0.180 -5.866 3.848 1.00 0.00 H new ATOM 0 HB ILE A 37 1.850 -7.334 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.147 -7.393 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.427 -6.080 1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.946 -9.529 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.043 -8.968 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.282 -8.950 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.485 -7.710 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.275 -7.670 -0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.456 -9.004 0.818 1.00 0.00 H new ATOM 580 N MET A 38 0.784 -7.090 5.879 1.00 0.00 N ATOM 581 CA MET A 38 1.081 -7.473 7.246 1.00 0.00 C ATOM 582 C MET A 38 1.143 -8.999 7.389 1.00 0.00 C ATOM 583 O MET A 38 0.112 -9.667 7.463 1.00 0.00 O ATOM 584 CB MET A 38 0.019 -6.797 8.135 1.00 0.00 C ATOM 585 CG MET A 38 0.477 -6.517 9.565 1.00 0.00 C ATOM 586 SD MET A 38 1.168 -4.867 9.861 1.00 0.00 S ATOM 587 CE MET A 38 2.549 -4.921 8.697 1.00 0.00 C ATOM 0 H MET A 38 -0.215 -7.087 5.673 1.00 0.00 H new ATOM 0 HA MET A 38 2.068 -7.135 7.561 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.280 -5.857 7.672 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.867 -7.432 8.168 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.372 -6.660 10.233 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.227 -7.259 9.839 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.169 -4.034 8.827 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.148 -5.813 8.884 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.165 -4.949 7.677 1.00 0.00 H new ATOM 597 N VAL A 39 2.361 -9.549 7.456 1.00 0.00 N ATOM 598 CA VAL A 39 2.605 -11.000 7.614 1.00 0.00 C ATOM 599 C VAL A 39 3.320 -11.319 8.925 1.00 0.00 C ATOM 600 O VAL A 39 4.191 -10.576 9.369 1.00 0.00 O ATOM 601 CB VAL A 39 3.328 -11.592 6.388 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.735 -11.029 6.186 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.410 -13.123 6.433 1.00 0.00 C ATOM 0 H VAL A 39 3.218 -8.999 7.402 1.00 0.00 H new ATOM 0 HA VAL A 39 1.632 -11.488 7.669 1.00 0.00 H new ATOM 0 HB VAL A 39 2.711 -11.291 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.188 -11.487 5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.678 -9.950 6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.344 -11.248 7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.929 -13.486 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.956 -13.432 7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.404 -13.541 6.461 1.00 0.00 H new ATOM 613 N GLN A 40 2.946 -12.428 9.559 1.00 0.00 N ATOM 614 CA GLN A 40 3.552 -12.915 10.803 1.00 0.00 C ATOM 615 C GLN A 40 5.014 -13.344 10.581 1.00 0.00 C ATOM 616 O GLN A 40 5.314 -14.114 9.666 1.00 0.00 O ATOM 617 CB GLN A 40 2.689 -14.036 11.413 1.00 0.00 C ATOM 618 CG GLN A 40 2.199 -15.093 10.399 1.00 0.00 C ATOM 619 CD GLN A 40 1.461 -16.271 11.043 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.232 -16.345 12.245 1.00 0.00 O ATOM 621 NE2 GLN A 40 1.050 -17.249 10.262 1.00 0.00 N ATOM 0 H GLN A 40 2.196 -13.029 9.217 1.00 0.00 H new ATOM 0 HA GLN A 40 3.581 -12.099 11.525 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.265 -14.537 12.191 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.822 -13.587 11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.538 -14.612 9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.055 -15.473 9.842 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.229 -17.210 9.259 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.553 -18.045 10.661 1.00 0.00 H new ATOM 630 N SER A 41 5.930 -12.835 11.409 1.00 0.00 N ATOM 631 CA SER A 41 7.373 -13.019 11.229 1.00 0.00 C ATOM 632 C SER A 41 7.931 -14.249 11.949 1.00 0.00 C ATOM 633 O SER A 41 7.634 -14.457 13.130 1.00 0.00 O ATOM 634 CB SER A 41 8.123 -11.779 11.701 1.00 0.00 C ATOM 635 OG SER A 41 9.506 -11.920 11.419 1.00 0.00 O ATOM 0 H SER A 41 5.689 -12.279 12.230 1.00 0.00 H new ATOM 0 HA SER A 41 7.524 -13.179 10.161 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.729 -10.893 11.203 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.973 -11.637 12.771 1.00 0.00 H new ATOM 0 HG SER A 41 9.960 -11.065 11.573 1.00 0.00 H new ATOM 641 N PRO A 42 8.824 -15.017 11.292 1.00 0.00 N ATOM 642 CA PRO A 42 9.651 -16.012 11.966 1.00 0.00 C ATOM 643 C PRO A 42 10.778 -15.419 12.836 1.00 0.00 C ATOM 644 O PRO A 42 11.369 -16.144 13.639 1.00 0.00 O ATOM 645 CB PRO A 42 10.222 -16.905 10.854 1.00 0.00 C ATOM 646 CG PRO A 42 9.315 -16.647 9.653 1.00 0.00 C ATOM 647 CD PRO A 42 8.906 -15.191 9.851 1.00 0.00 C ATOM 0 HA PRO A 42 9.039 -16.567 12.677 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.258 -16.648 10.632 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.209 -17.956 11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.840 -16.796 8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.452 -17.313 9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.637 -14.512 9.412 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.949 -14.981 9.373 1.00 0.00 H new ATOM 655 N MET A 43 11.102 -14.128 12.670 1.00 0.00 N ATOM 656 CA MET A 43 12.255 -13.453 13.299 1.00 0.00 C ATOM 657 C MET A 43 11.868 -12.335 14.286 1.00 0.00 C ATOM 658 O MET A 43 12.649 -12.017 15.186 1.00 0.00 O ATOM 659 CB MET A 43 13.168 -12.888 12.201 1.00 0.00 C ATOM 660 CG MET A 43 13.903 -14.000 11.436 1.00 0.00 C ATOM 661 SD MET A 43 14.188 -13.642 9.682 1.00 0.00 S ATOM 662 CE MET A 43 12.488 -13.882 9.097 1.00 0.00 C ATOM 0 H MET A 43 10.555 -13.503 12.078 1.00 0.00 H new ATOM 0 HA MET A 43 12.773 -14.207 13.892 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.574 -12.299 11.502 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.897 -12.212 12.648 1.00 0.00 H new ATOM 0 HG2 MET A 43 14.864 -14.181 11.918 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.327 -14.922 11.517 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.505 -14.300 8.091 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.966 -14.567 9.766 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.969 -12.923 9.083 1.00 0.00 H new ATOM 672 N PHE A 44 10.680 -11.741 14.133 1.00 0.00 N ATOM 673 CA PHE A 44 10.157 -10.635 14.946 1.00 0.00 C ATOM 674 C PHE A 44 8.948 -11.064 15.800 1.00 0.00 C ATOM 675 O PHE A 44 8.233 -12.014 15.479 1.00 0.00 O ATOM 676 CB PHE A 44 9.853 -9.440 14.025 1.00 0.00 C ATOM 677 CG PHE A 44 9.229 -8.241 14.714 1.00 0.00 C ATOM 678 CD1 PHE A 44 10.008 -7.425 15.557 1.00 0.00 C ATOM 679 CD2 PHE A 44 7.859 -7.961 14.541 1.00 0.00 C ATOM 680 CE1 PHE A 44 9.417 -6.338 16.226 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.270 -6.872 15.207 1.00 0.00 C ATOM 682 CZ PHE A 44 8.049 -6.062 16.052 1.00 0.00 C ATOM 0 H PHE A 44 10.026 -12.031 13.406 1.00 0.00 H new ATOM 0 HA PHE A 44 10.913 -10.327 15.668 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.780 -9.124 13.548 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.184 -9.773 13.232 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.059 -7.634 15.690 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.259 -8.585 13.895 1.00 0.00 H new ATOM 0 HE1 PHE A 44 10.015 -5.714 16.874 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.220 -6.658 15.070 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.597 -5.228 16.568 1.00 0.00 H new ATOM 692 N ASP A 45 8.704 -10.344 16.896 1.00 0.00 N ATOM 693 CA ASP A 45 7.697 -10.648 17.931 1.00 0.00 C ATOM 694 C ASP A 45 6.280 -10.136 17.574 1.00 0.00 C ATOM 695 O ASP A 45 5.558 -9.584 18.411 1.00 0.00 O ATOM 696 CB ASP A 45 8.201 -10.145 19.296 1.00 0.00 C ATOM 697 CG ASP A 45 9.503 -10.841 19.726 1.00 0.00 C ATOM 698 OD1 ASP A 45 9.446 -12.019 20.156 1.00 0.00 O ATOM 699 OD2 ASP A 45 10.585 -10.210 19.652 1.00 0.00 O ATOM 0 H ASP A 45 9.224 -9.491 17.102 1.00 0.00 H new ATOM 0 HA ASP A 45 7.578 -11.730 17.988 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.365 -9.069 19.247 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.433 -10.316 20.051 1.00 0.00 H new ATOM 704 N GLY A 46 5.885 -10.288 16.307 1.00 0.00 N ATOM 705 CA GLY A 46 4.626 -9.797 15.740 1.00 0.00 C ATOM 706 C GLY A 46 4.627 -9.873 14.214 1.00 0.00 C ATOM 707 O GLY A 46 5.284 -10.742 13.626 1.00 0.00 O ATOM 0 H GLY A 46 6.458 -10.777 15.619 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.796 -10.384 16.133 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.463 -8.766 16.053 1.00 0.00 H new ATOM 711 N LYS A 47 3.893 -8.964 13.564 1.00 0.00 N ATOM 712 CA LYS A 47 3.757 -8.929 12.101 1.00 0.00 C ATOM 713 C LYS A 47 4.578 -7.798 11.482 1.00 0.00 C ATOM 714 O LYS A 47 4.769 -6.745 12.090 1.00 0.00 O ATOM 715 CB LYS A 47 2.280 -8.899 11.678 1.00 0.00 C ATOM 716 CG LYS A 47 1.396 -9.903 12.446 1.00 0.00 C ATOM 717 CD LYS A 47 0.414 -10.688 11.569 1.00 0.00 C ATOM 718 CE LYS A 47 -0.517 -9.861 10.672 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.481 -9.034 11.443 1.00 0.00 N ATOM 0 H LYS A 47 3.373 -8.227 14.039 1.00 0.00 H new ATOM 0 HA LYS A 47 4.174 -9.855 11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.888 -7.893 11.829 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.212 -9.110 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.041 -10.609 12.969 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.832 -9.363 13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.988 -11.363 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.202 -11.309 12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.083 -9.211 10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.068 -10.532 10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.989 -8.399 10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.162 -9.654 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.967 -8.469 12.149 1.00 0.00 H new ATOM 733 N VAL A 48 5.069 -8.037 10.269 1.00 0.00 N ATOM 734 CA VAL A 48 6.039 -7.192 9.553 1.00 0.00 C ATOM 735 C VAL A 48 5.522 -6.793 8.162 1.00 0.00 C ATOM 736 O VAL A 48 4.805 -7.583 7.539 1.00 0.00 O ATOM 737 CB VAL A 48 7.415 -7.883 9.455 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.047 -8.024 10.846 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.359 -9.269 8.794 1.00 0.00 C ATOM 0 H VAL A 48 4.794 -8.858 9.730 1.00 0.00 H new ATOM 0 HA VAL A 48 6.163 -6.277 10.132 1.00 0.00 H new ATOM 0 HB VAL A 48 8.023 -7.240 8.819 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.017 -8.514 10.757 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.178 -7.036 11.288 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.396 -8.623 11.483 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.361 -9.696 8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.707 -9.922 9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.969 -9.173 7.781 1.00 0.00 H new ATOM 749 N PRO A 49 5.840 -5.579 7.666 1.00 0.00 N ATOM 750 CA PRO A 49 5.331 -5.084 6.387 1.00 0.00 C ATOM 751 C PRO A 49 6.130 -5.614 5.183 1.00 0.00 C ATOM 752 O PRO A 49 7.356 -5.491 5.132 1.00 0.00 O ATOM 753 CB PRO A 49 5.408 -3.556 6.489 1.00 0.00 C ATOM 754 CG PRO A 49 6.598 -3.322 7.418 1.00 0.00 C ATOM 755 CD PRO A 49 6.537 -4.511 8.376 1.00 0.00 C ATOM 0 HA PRO A 49 4.313 -5.432 6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.563 -3.096 5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.490 -3.134 6.898 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.539 -3.297 6.868 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.514 -2.374 7.948 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.539 -4.827 8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.009 -4.245 9.292 1.00 0.00 H new ATOM 763 N HIS A 50 5.439 -6.161 4.178 1.00 0.00 N ATOM 764 CA HIS A 50 6.001 -6.515 2.867 1.00 0.00 C ATOM 765 C HIS A 50 5.634 -5.427 1.872 1.00 0.00 C ATOM 766 O HIS A 50 4.474 -5.347 1.488 1.00 0.00 O ATOM 767 CB HIS A 50 5.487 -7.898 2.432 1.00 0.00 C ATOM 768 CG HIS A 50 6.254 -9.040 3.051 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.519 -10.268 2.438 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.810 -9.040 4.296 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.222 -10.981 3.336 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.432 -10.258 4.451 1.00 0.00 N ATOM 0 H HIS A 50 4.445 -6.377 4.254 1.00 0.00 H new ATOM 0 HA HIS A 50 7.088 -6.581 2.919 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.435 -7.988 2.701 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.546 -7.975 1.346 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.770 -8.240 5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.569 -11.992 3.183 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.961 -10.560 5.269 1.00 0.00 H new ATOM 780 N TRP A 51 6.584 -4.561 1.516 1.00 0.00 N ATOM 781 CA TRP A 51 6.332 -3.351 0.734 1.00 0.00 C ATOM 782 C TRP A 51 6.260 -3.635 -0.768 1.00 0.00 C ATOM 783 O TRP A 51 6.978 -4.475 -1.309 1.00 0.00 O ATOM 784 CB TRP A 51 7.407 -2.296 1.013 1.00 0.00 C ATOM 785 CG TRP A 51 7.512 -1.843 2.434 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.385 -2.331 3.345 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.734 -0.816 3.127 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.202 -1.686 4.551 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.191 -0.753 4.477 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.677 0.052 2.764 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.633 0.119 5.420 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.105 0.931 3.710 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.594 0.976 5.029 1.00 0.00 C ATOM 0 H TRP A 51 7.565 -4.683 1.767 1.00 0.00 H new ATOM 0 HA TRP A 51 5.359 -2.970 1.045 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.373 -2.697 0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.209 -1.426 0.387 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.113 -3.106 3.157 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.747 -1.876 5.392 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.303 0.042 1.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.998 0.131 6.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.287 1.573 3.419 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.169 1.670 5.739 1.00 0.00 H new ATOM 804 N TYR A 52 5.428 -2.879 -1.465 1.00 0.00 N ATOM 805 CA TYR A 52 5.347 -2.884 -2.915 1.00 0.00 C ATOM 806 C TYR A 52 4.943 -1.486 -3.420 1.00 0.00 C ATOM 807 O TYR A 52 4.425 -0.654 -2.665 1.00 0.00 O ATOM 808 CB TYR A 52 4.407 -4.004 -3.415 1.00 0.00 C ATOM 809 CG TYR A 52 4.031 -5.166 -2.496 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.048 -5.024 -1.492 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.618 -6.428 -2.713 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.651 -6.143 -0.725 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.220 -7.545 -1.956 1.00 0.00 C ATOM 814 CZ TYR A 52 3.243 -7.404 -0.952 1.00 0.00 C ATOM 815 OH TYR A 52 2.873 -8.486 -0.214 1.00 0.00 O ATOM 0 H TYR A 52 4.775 -2.229 -1.027 1.00 0.00 H new ATOM 0 HA TYR A 52 6.328 -3.108 -3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.478 -3.528 -3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.863 -4.433 -4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.599 -4.059 -1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.382 -6.539 -3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.893 -6.033 0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.664 -8.511 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 52 3.382 -9.271 -0.506 1.00 0.00 H new ATOM 825 N HIS A 53 5.167 -1.211 -4.708 1.00 0.00 N ATOM 826 CA HIS A 53 4.575 -0.036 -5.375 1.00 0.00 C ATOM 827 C HIS A 53 3.039 -0.041 -5.223 1.00 0.00 C ATOM 828 O HIS A 53 2.436 -1.102 -5.036 1.00 0.00 O ATOM 829 CB HIS A 53 4.949 0.000 -6.867 1.00 0.00 C ATOM 830 CG HIS A 53 6.425 0.123 -7.174 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.283 -0.867 -7.668 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.130 1.289 -7.078 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.473 -0.275 -7.855 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.411 1.021 -7.508 1.00 0.00 N ATOM 0 H HIS A 53 5.754 -1.784 -5.315 1.00 0.00 H new ATOM 0 HA HIS A 53 4.978 0.855 -4.894 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.574 -0.909 -7.338 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.430 0.838 -7.332 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.754 2.240 -6.731 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.356 -0.771 -8.231 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.179 1.691 -7.555 1.00 0.00 H new ATOM 842 N PHE A 54 2.393 1.127 -5.340 1.00 0.00 N ATOM 843 CA PHE A 54 0.932 1.240 -5.203 1.00 0.00 C ATOM 844 C PHE A 54 0.167 0.247 -6.103 1.00 0.00 C ATOM 845 O PHE A 54 -0.778 -0.385 -5.640 1.00 0.00 O ATOM 846 CB PHE A 54 0.482 2.679 -5.503 1.00 0.00 C ATOM 847 CG PHE A 54 -1.026 2.818 -5.669 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.894 2.536 -4.595 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.567 3.151 -6.927 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.287 2.545 -4.789 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.960 3.177 -7.113 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.819 2.852 -6.051 1.00 0.00 C ATOM 0 H PHE A 54 2.861 2.013 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 54 0.690 0.985 -4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.813 3.331 -4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.974 3.024 -6.413 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.488 2.312 -3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.909 3.387 -7.751 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.948 2.315 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.370 3.447 -8.075 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.888 2.838 -6.205 1.00 0.00 H new ATOM 862 N SER A 55 0.589 0.062 -7.362 1.00 0.00 N ATOM 863 CA SER A 55 -0.021 -0.885 -8.307 1.00 0.00 C ATOM 864 C SER A 55 0.396 -2.331 -8.024 1.00 0.00 C ATOM 865 O SER A 55 -0.440 -3.236 -8.062 1.00 0.00 O ATOM 866 CB SER A 55 0.340 -0.492 -9.743 1.00 0.00 C ATOM 867 OG SER A 55 1.746 -0.351 -9.881 1.00 0.00 O ATOM 0 H SER A 55 1.377 0.574 -7.759 1.00 0.00 H new ATOM 0 HA SER A 55 -1.102 -0.834 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.025 -1.249 -10.436 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.153 0.444 -10.005 1.00 0.00 H new ATOM 0 HG SER A 55 1.961 -0.101 -10.804 1.00 0.00 H new ATOM 873 N CYS A 56 1.672 -2.557 -7.684 1.00 0.00 N ATOM 874 CA CYS A 56 2.226 -3.873 -7.390 1.00 0.00 C ATOM 875 C CYS A 56 1.482 -4.614 -6.262 1.00 0.00 C ATOM 876 O CYS A 56 1.285 -5.822 -6.370 1.00 0.00 O ATOM 877 CB CYS A 56 3.710 -3.728 -7.070 1.00 0.00 C ATOM 878 SG CYS A 56 4.697 -3.313 -8.560 1.00 0.00 S ATOM 0 H CYS A 56 2.359 -1.807 -7.606 1.00 0.00 H new ATOM 0 HA CYS A 56 2.094 -4.493 -8.277 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.844 -2.951 -6.318 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.080 -4.657 -6.637 1.00 0.00 H new ATOM 0 HG CYS A 56 5.639 -2.477 -8.238 1.00 0.00 H new ATOM 883 N PHE A 57 0.999 -3.906 -5.237 1.00 0.00 N ATOM 884 CA PHE A 57 0.130 -4.445 -4.181 1.00 0.00 C ATOM 885 C PHE A 57 -1.076 -5.204 -4.763 1.00 0.00 C ATOM 886 O PHE A 57 -1.337 -6.352 -4.398 1.00 0.00 O ATOM 887 CB PHE A 57 -0.330 -3.290 -3.285 1.00 0.00 C ATOM 888 CG PHE A 57 -1.349 -3.693 -2.235 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.703 -3.829 -2.594 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.955 -3.946 -0.907 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.649 -4.266 -1.657 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.918 -4.308 0.051 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.260 -4.493 -0.330 1.00 0.00 C ATOM 0 H PHE A 57 1.206 -2.915 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 57 0.697 -5.167 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.540 -2.861 -2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.758 -2.506 -3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.016 -3.594 -3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.084 -3.862 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.674 -4.427 -1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.627 -4.444 1.082 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.990 -4.810 0.400 1.00 0.00 H new ATOM 903 N TRP A 58 -1.792 -4.589 -5.709 1.00 0.00 N ATOM 904 CA TRP A 58 -2.974 -5.183 -6.339 1.00 0.00 C ATOM 905 C TRP A 58 -2.587 -6.291 -7.331 1.00 0.00 C ATOM 906 O TRP A 58 -3.335 -7.253 -7.504 1.00 0.00 O ATOM 907 CB TRP A 58 -3.805 -4.091 -7.012 1.00 0.00 C ATOM 908 CG TRP A 58 -4.115 -2.903 -6.148 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.420 -1.747 -6.172 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.121 -2.730 -5.096 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.865 -0.902 -5.177 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.915 -1.454 -4.480 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.184 -3.516 -4.594 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.702 -0.998 -3.412 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.990 -3.058 -3.538 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.743 -1.810 -2.943 1.00 0.00 C ATOM 0 H TRP A 58 -1.566 -3.659 -6.061 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.581 -5.653 -5.566 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.274 -3.747 -7.899 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.744 -4.528 -7.352 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.629 -1.516 -6.870 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.466 0.016 -4.982 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.380 -4.485 -5.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.509 -0.037 -2.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.805 -3.670 -3.181 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.358 -1.475 -2.121 1.00 0.00 H new ATOM 927 N LYS A 59 -1.380 -6.213 -7.913 1.00 0.00 N ATOM 928 CA LYS A 59 -0.778 -7.267 -8.752 1.00 0.00 C ATOM 929 C LYS A 59 -0.392 -8.521 -7.951 1.00 0.00 C ATOM 930 O LYS A 59 -0.261 -9.587 -8.550 1.00 0.00 O ATOM 931 CB LYS A 59 0.435 -6.707 -9.517 1.00 0.00 C ATOM 932 CG LYS A 59 0.053 -5.646 -10.565 1.00 0.00 C ATOM 933 CD LYS A 59 1.190 -4.685 -10.939 1.00 0.00 C ATOM 934 CE LYS A 59 2.559 -5.337 -11.170 1.00 0.00 C ATOM 935 NZ LYS A 59 3.618 -4.301 -11.263 1.00 0.00 N ATOM 0 H LYS A 59 -0.779 -5.395 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.538 -7.583 -9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.135 -6.270 -8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.954 -7.527 -10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.290 -6.152 -11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.788 -5.065 -10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.905 -4.149 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.290 -3.943 -10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.784 -6.023 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.538 -5.927 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.524 -4.751 -11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.367 -3.613 -12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.706 -3.812 -10.349 1.00 0.00 H new ATOM 949 N VAL A 60 -0.250 -8.442 -6.619 1.00 0.00 N ATOM 950 CA VAL A 60 -0.166 -9.648 -5.754 1.00 0.00 C ATOM 951 C VAL A 60 -1.501 -10.425 -5.732 1.00 0.00 C ATOM 952 O VAL A 60 -1.515 -11.630 -5.478 1.00 0.00 O ATOM 953 CB VAL A 60 0.289 -9.310 -4.313 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.620 -10.560 -3.483 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.552 -8.445 -4.274 1.00 0.00 C ATOM 0 H VAL A 60 -0.190 -7.560 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 60 0.597 -10.289 -6.196 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.565 -8.776 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.933 -10.260 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.264 -11.194 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.426 -11.114 -3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.822 -8.241 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.370 -8.973 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.365 -7.504 -4.792 1.00 0.00 H new ATOM 965 N GLY A 61 -2.623 -9.767 -6.053 1.00 0.00 N ATOM 966 CA GLY A 61 -3.962 -10.366 -6.148 1.00 0.00 C ATOM 967 C GLY A 61 -4.858 -10.164 -4.918 1.00 0.00 C ATOM 968 O GLY A 61 -5.947 -10.742 -4.857 1.00 0.00 O ATOM 0 H GLY A 61 -2.624 -8.768 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.468 -9.949 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.852 -11.436 -6.326 1.00 0.00 H new ATOM 972 N HIS A 62 -4.434 -9.354 -3.939 1.00 0.00 N ATOM 973 CA HIS A 62 -5.247 -8.994 -2.767 1.00 0.00 C ATOM 974 C HIS A 62 -6.322 -7.949 -3.105 1.00 0.00 C ATOM 975 O HIS A 62 -6.109 -7.061 -3.934 1.00 0.00 O ATOM 976 CB HIS A 62 -4.353 -8.518 -1.611 1.00 0.00 C ATOM 977 CG HIS A 62 -3.560 -9.637 -0.981 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.985 -10.438 0.082 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.315 -10.040 -1.363 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.978 -11.297 0.323 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.966 -11.085 -0.536 1.00 0.00 N ATOM 0 H HIS A 62 -3.508 -8.925 -3.937 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.772 -9.894 -2.447 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.666 -7.756 -1.980 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.974 -8.046 -0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.718 -9.621 -2.160 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.982 -12.050 1.097 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.091 -11.608 -0.570 1.00 0.00 H new ATOM 989 N SER A 63 -7.466 -8.043 -2.421 1.00 0.00 N ATOM 990 CA SER A 63 -8.581 -7.082 -2.462 1.00 0.00 C ATOM 991 C SER A 63 -8.992 -6.686 -1.040 1.00 0.00 C ATOM 992 O SER A 63 -8.845 -7.469 -0.098 1.00 0.00 O ATOM 993 CB SER A 63 -9.786 -7.658 -3.219 1.00 0.00 C ATOM 994 OG SER A 63 -9.487 -7.835 -4.594 1.00 0.00 O ATOM 0 H SER A 63 -7.652 -8.826 -1.794 1.00 0.00 H new ATOM 0 HA SER A 63 -8.240 -6.195 -2.996 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.073 -8.614 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.640 -6.989 -3.112 1.00 0.00 H new ATOM 0 HG SER A 63 -10.269 -8.204 -5.054 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.503 -5.463 -0.876 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.678 -4.807 0.428 1.00 0.00 C ATOM 1002 C ILE A 64 -11.158 -4.437 0.609 1.00 0.00 C ATOM 1003 O ILE A 64 -11.719 -3.674 -0.177 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.730 -3.588 0.548 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.281 -3.910 0.112 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.741 -3.049 1.987 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.314 -2.733 0.283 1.00 0.00 C ATOM 0 H ILE A 64 -9.813 -4.888 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.407 -5.486 1.236 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.105 -2.826 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.915 -4.757 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.285 -4.218 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.071 -2.192 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.753 -2.742 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.407 -3.830 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.317 -3.031 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.656 -1.891 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.281 -2.439 1.332 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.796 -4.995 1.645 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.253 -4.886 1.890 1.00 0.00 C ATOM 1021 C ARG A 65 -13.665 -3.630 2.669 1.00 0.00 C ATOM 1022 O ARG A 65 -14.785 -3.144 2.514 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.825 -6.172 2.531 1.00 0.00 C ATOM 1024 CG ARG A 65 -12.968 -6.853 3.616 1.00 0.00 C ATOM 1025 CD ARG A 65 -11.985 -7.889 3.038 1.00 0.00 C ATOM 1026 NE ARG A 65 -12.671 -9.113 2.571 1.00 0.00 N ATOM 1027 CZ ARG A 65 -13.006 -10.173 3.287 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -12.769 -10.257 4.566 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -13.600 -11.184 2.722 1.00 0.00 N ATOM 0 H ARG A 65 -11.312 -5.546 2.354 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.703 -4.773 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.795 -5.931 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.004 -6.896 1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.408 -6.093 4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.624 -7.343 4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.437 -7.443 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.251 -8.154 3.799 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.914 -9.143 1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.309 -9.487 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.044 -11.093 5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.808 -11.160 1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.857 -12.000 3.277 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.754 -3.099 3.484 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.917 -1.880 4.290 1.00 0.00 C ATOM 1045 C HIS A 66 -11.557 -1.184 4.480 1.00 0.00 C ATOM 1046 O HIS A 66 -10.895 -1.365 5.505 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.655 -2.191 5.611 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.293 -3.450 6.377 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -14.149 -4.081 7.287 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -12.125 -4.157 6.324 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -13.479 -5.146 7.760 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -12.262 -5.216 7.197 1.00 0.00 N ATOM 0 H HIS A 66 -11.836 -3.525 3.609 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.552 -1.169 3.761 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.504 -1.344 6.280 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.721 -2.236 5.390 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.262 -3.930 5.716 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.864 -5.845 8.488 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.559 -5.931 7.383 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.071 -0.431 3.473 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.682 0.023 3.439 1.00 0.00 C ATOM 1062 C PRO A 67 -9.317 1.022 4.538 1.00 0.00 C ATOM 1063 O PRO A 67 -8.214 0.955 5.066 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.462 0.597 2.032 1.00 0.00 C ATOM 1065 CG PRO A 67 -10.871 0.984 1.594 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.737 -0.101 2.221 1.00 0.00 C ATOM 0 HA PRO A 67 -9.017 -0.816 3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.794 1.458 2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.019 -0.139 1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.146 1.976 1.951 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.966 0.999 0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.753 0.255 2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.812 -0.973 1.571 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.239 1.876 4.980 1.00 0.00 N ATOM 1075 CA ASP A 68 -9.993 2.792 6.102 1.00 0.00 C ATOM 1076 C ASP A 68 -9.940 2.075 7.471 1.00 0.00 C ATOM 1077 O ASP A 68 -9.559 2.684 8.475 1.00 0.00 O ATOM 1078 CB ASP A 68 -10.983 3.965 6.061 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.448 3.519 6.123 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -13.003 3.377 7.237 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.044 3.324 5.036 1.00 0.00 O ATOM 0 H ASP A 68 -11.172 1.955 4.576 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.993 3.208 5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.778 4.635 6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.822 4.537 5.147 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.289 0.779 7.516 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.181 -0.092 8.696 1.00 0.00 C ATOM 1088 C VAL A 69 -8.890 -0.923 8.662 1.00 0.00 C ATOM 1089 O VAL A 69 -8.215 -1.042 9.685 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.416 -1.013 8.821 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.386 -1.849 10.106 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.724 -0.210 8.819 1.00 0.00 C ATOM 0 H VAL A 69 -10.667 0.293 6.703 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.143 0.552 9.575 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.377 -1.672 7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.273 -2.480 10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.494 -2.476 10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.369 -1.186 10.971 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.570 -0.892 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.726 0.483 9.660 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.806 0.349 7.887 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.528 -1.486 7.501 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.433 -2.474 7.385 1.00 0.00 C ATOM 1104 C GLU A 70 -6.145 -1.972 6.716 1.00 0.00 C ATOM 1105 O GLU A 70 -5.091 -2.575 6.919 1.00 0.00 O ATOM 1106 CB GLU A 70 -7.941 -3.739 6.672 1.00 0.00 C ATOM 1107 CG GLU A 70 -8.871 -4.593 7.546 1.00 0.00 C ATOM 1108 CD GLU A 70 -8.184 -5.236 8.772 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -6.932 -5.279 8.843 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -8.915 -5.723 9.668 1.00 0.00 O ATOM 0 H GLU A 70 -8.982 -1.273 6.613 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.143 -2.690 8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.471 -3.449 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.087 -4.342 6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.696 -3.971 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.303 -5.383 6.931 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.194 -0.875 5.956 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.011 -0.179 5.428 1.00 0.00 C ATOM 1119 C VAL A 71 -4.503 0.811 6.472 1.00 0.00 C ATOM 1120 O VAL A 71 -4.979 1.942 6.596 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.271 0.472 4.068 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.933 0.906 3.493 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.865 -0.529 3.074 1.00 0.00 C ATOM 0 H VAL A 71 -7.073 -0.435 5.683 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.228 -0.913 5.239 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.963 1.301 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.089 1.374 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.461 1.620 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.287 0.035 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.037 -0.034 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.171 -1.358 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.810 -0.909 3.461 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.496 0.373 7.221 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.701 1.223 8.099 1.00 0.00 C ATOM 1135 C ASP A 72 -2.049 2.369 7.299 1.00 0.00 C ATOM 1136 O ASP A 72 -1.629 2.182 6.159 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.663 0.327 8.787 1.00 0.00 C ATOM 1138 CG ASP A 72 -0.822 1.088 9.813 1.00 0.00 C ATOM 1139 OD1 ASP A 72 0.192 1.698 9.411 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -1.175 1.073 11.015 1.00 0.00 O ATOM 0 H ASP A 72 -3.204 -0.604 7.234 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.324 1.700 8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.172 -0.500 9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.006 -0.107 8.034 1.00 0.00 H new ATOM 1145 N GLY A 73 -1.980 3.570 7.868 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.316 4.729 7.252 1.00 0.00 C ATOM 1147 C GLY A 73 -2.142 5.501 6.221 1.00 0.00 C ATOM 1148 O GLY A 73 -1.712 6.561 5.777 1.00 0.00 O ATOM 0 H GLY A 73 -2.387 3.774 8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.022 5.418 8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.400 4.386 6.772 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.362 5.062 5.900 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.322 5.793 5.053 1.00 0.00 C ATOM 1154 C PHE A 74 -4.631 7.207 5.588 1.00 0.00 C ATOM 1155 O PHE A 74 -4.899 8.121 4.808 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.588 4.923 5.000 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.751 5.456 4.185 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.823 5.204 2.801 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.802 6.141 4.827 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.946 5.625 2.067 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.922 6.565 4.090 1.00 0.00 C ATOM 1162 CZ PHE A 74 -8.995 6.303 2.713 1.00 0.00 C ATOM 0 H PHE A 74 -3.723 4.166 6.228 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.904 5.956 4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.313 3.947 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.934 4.764 6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.016 4.687 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.747 6.341 5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.003 5.428 1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.725 7.092 4.583 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.858 6.623 2.149 1.00 0.00 H new ATOM 1172 N SER A 75 -4.510 7.426 6.900 1.00 0.00 N ATOM 1173 CA SER A 75 -4.621 8.743 7.549 1.00 0.00 C ATOM 1174 C SER A 75 -3.429 9.685 7.284 1.00 0.00 C ATOM 1175 O SER A 75 -3.528 10.884 7.543 1.00 0.00 O ATOM 1176 CB SER A 75 -4.787 8.547 9.061 1.00 0.00 C ATOM 1177 OG SER A 75 -5.919 7.734 9.340 1.00 0.00 O ATOM 0 H SER A 75 -4.327 6.673 7.563 1.00 0.00 H new ATOM 0 HA SER A 75 -5.493 9.228 7.109 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.890 8.085 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.899 9.516 9.548 1.00 0.00 H new ATOM 0 HG SER A 75 -6.008 7.619 10.309 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.306 9.177 6.762 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.114 9.963 6.388 1.00 0.00 C ATOM 1185 C GLU A 76 -1.222 10.556 4.966 1.00 0.00 C ATOM 1186 O GLU A 76 -0.522 11.517 4.641 1.00 0.00 O ATOM 1187 CB GLU A 76 0.161 9.099 6.502 1.00 0.00 C ATOM 1188 CG GLU A 76 0.385 8.480 7.896 1.00 0.00 C ATOM 1189 CD GLU A 76 1.586 7.514 7.930 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.631 7.784 7.293 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.513 6.458 8.602 1.00 0.00 O ATOM 0 H GLU A 76 -2.194 8.179 6.581 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.053 10.797 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.110 8.297 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.025 9.712 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.544 9.277 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.515 7.946 8.201 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.113 10.005 4.129 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.424 10.468 2.769 1.00 0.00 C ATOM 1200 C LEU A 77 -3.241 11.778 2.789 1.00 0.00 C ATOM 1201 O LEU A 77 -3.670 12.260 3.844 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.205 9.355 2.026 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.410 8.163 1.463 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.417 7.523 2.425 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.391 7.094 0.977 1.00 0.00 C ATOM 0 H LEU A 77 -2.662 9.187 4.394 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.490 10.678 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.956 8.961 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.741 9.819 1.198 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.807 8.574 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.912 6.695 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.680 8.265 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.948 7.151 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.836 6.246 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.010 6.762 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.027 7.512 0.197 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.502 12.350 1.608 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.524 13.386 1.377 1.00 0.00 C ATOM 1219 C ARG A 78 -5.668 12.876 0.510 1.00 0.00 C ATOM 1220 O ARG A 78 -5.601 11.786 -0.064 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.878 14.679 0.837 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.927 15.330 1.855 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.643 15.747 3.152 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.685 16.281 4.140 1.00 0.00 N ATOM 1225 CZ ARG A 78 -1.917 15.580 4.958 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -1.981 14.281 5.042 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.048 16.183 5.718 1.00 0.00 N ATOM 0 H ARG A 78 -2.995 12.100 0.759 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.978 13.637 2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.328 14.453 -0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.661 15.389 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.125 14.632 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.462 16.206 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.398 16.501 2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.166 14.889 3.575 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.607 17.296 4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.643 13.764 4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.369 13.781 5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.958 17.198 5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.457 15.640 6.348 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.749 13.657 0.477 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.072 13.215 0.030 1.00 0.00 C ATOM 1243 C TRP A 79 -8.072 12.596 -1.380 1.00 0.00 C ATOM 1244 O TRP A 79 -8.790 11.626 -1.620 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.081 14.375 0.167 1.00 0.00 C ATOM 1246 CG TRP A 79 -9.954 14.651 -1.022 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.195 14.159 -1.233 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.641 15.454 -2.200 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.671 14.606 -2.453 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -10.752 15.412 -3.093 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.512 16.197 -2.610 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -10.753 16.089 -4.323 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.500 16.880 -3.841 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -9.617 16.828 -4.696 1.00 0.00 C ATOM 0 H TRP A 79 -6.729 14.635 0.766 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.384 12.400 0.683 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.725 14.167 1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.526 15.284 0.400 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.733 13.515 -0.553 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.588 14.369 -2.832 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.644 16.242 -1.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.614 16.043 -4.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.628 17.448 -4.131 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.601 17.356 -5.638 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.235 13.097 -2.295 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.184 12.613 -3.679 1.00 0.00 C ATOM 1267 C ASP A 80 -6.550 11.215 -3.823 1.00 0.00 C ATOM 1268 O ASP A 80 -6.920 10.452 -4.713 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.476 13.631 -4.581 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.663 13.282 -6.069 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.819 13.038 -6.494 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.658 13.276 -6.820 1.00 0.00 O ATOM 0 H ASP A 80 -6.574 13.849 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.219 12.505 -4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.870 14.629 -4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.413 13.656 -4.341 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.617 10.850 -2.939 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.027 9.514 -2.886 1.00 0.00 C ATOM 1279 C ASP A 81 -5.894 8.580 -2.045 1.00 0.00 C ATOM 1280 O ASP A 81 -6.082 7.434 -2.436 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.587 9.574 -2.370 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.667 10.217 -3.414 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.422 9.580 -4.466 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.187 11.348 -3.170 1.00 0.00 O ATOM 0 H ASP A 81 -5.247 11.485 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.990 9.108 -3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.550 10.146 -1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.236 8.569 -2.138 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.512 9.073 -0.966 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.520 8.335 -0.204 1.00 0.00 C ATOM 1291 C GLN A 82 -8.682 7.887 -1.101 1.00 0.00 C ATOM 1292 O GLN A 82 -8.968 6.693 -1.169 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.027 9.203 0.959 1.00 0.00 C ATOM 1294 CG GLN A 82 -6.984 9.329 2.079 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.397 10.292 3.194 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.265 11.145 3.053 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -6.765 10.218 4.343 1.00 0.00 N ATOM 0 H GLN A 82 -6.323 10.004 -0.595 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.058 7.434 0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.281 10.195 0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.942 8.770 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.804 8.344 2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.041 9.666 1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.039 9.515 4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.000 10.863 5.097 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.300 8.792 -1.870 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.418 8.440 -2.757 1.00 0.00 C ATOM 1308 C GLN A 83 -10.008 7.500 -3.904 1.00 0.00 C ATOM 1309 O GLN A 83 -10.829 6.710 -4.361 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.149 9.701 -3.261 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.405 10.505 -4.343 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.110 11.811 -4.725 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.254 12.077 -4.373 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.481 12.685 -5.484 1.00 0.00 N ATOM 0 H GLN A 83 -9.044 9.779 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.126 7.869 -2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.121 9.404 -3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.337 10.356 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.400 10.734 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.295 9.886 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.528 12.497 -5.796 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.947 13.550 -5.760 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.740 7.529 -4.339 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.171 6.685 -5.390 1.00 0.00 C ATOM 1325 C LYS A 84 -7.817 5.306 -4.839 1.00 0.00 C ATOM 1326 O LYS A 84 -8.065 4.315 -5.518 1.00 0.00 O ATOM 1327 CB LYS A 84 -6.993 7.472 -5.991 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.155 6.748 -7.049 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.992 5.949 -6.444 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.960 6.750 -5.634 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.320 7.844 -6.412 1.00 0.00 N ATOM 0 H LYS A 84 -8.054 8.174 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.878 6.470 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.385 8.387 -6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.332 7.770 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.797 6.073 -7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.759 7.479 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.408 5.176 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.470 5.440 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.448 7.175 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.188 6.072 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.699 8.397 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.758 7.436 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.055 8.465 -6.808 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.316 5.218 -3.603 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.097 3.942 -2.887 1.00 0.00 C ATOM 1347 C VAL A 85 -8.439 3.264 -2.603 1.00 0.00 C ATOM 1348 O VAL A 85 -8.596 2.083 -2.912 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.294 4.168 -1.582 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.286 2.956 -0.634 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.828 4.503 -1.880 1.00 0.00 C ATOM 0 H VAL A 85 -7.045 6.037 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.506 3.282 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.807 4.997 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.703 3.194 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.309 2.714 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.840 2.100 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.292 4.656 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.371 3.680 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.777 5.412 -2.480 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.443 4.006 -2.109 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.801 3.473 -1.899 1.00 0.00 C ATOM 1363 C LYS A 86 -11.462 3.062 -3.217 1.00 0.00 C ATOM 1364 O LYS A 86 -11.978 1.950 -3.300 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.677 4.451 -1.092 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.152 4.627 0.347 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.186 5.140 1.363 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.312 4.122 1.561 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.159 4.430 2.743 1.00 0.00 N ATOM 0 H LYS A 86 -9.339 4.986 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.703 2.567 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.699 5.419 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.703 4.083 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.768 3.669 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.311 5.320 0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.697 5.337 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.603 6.086 1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.936 4.098 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.882 3.127 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.138 4.134 2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.796 3.919 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.136 5.453 2.930 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.345 3.869 -4.280 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.792 3.496 -5.638 1.00 0.00 C ATOM 1385 C LYS A 87 -11.120 2.212 -6.105 1.00 0.00 C ATOM 1386 O LYS A 87 -11.800 1.322 -6.598 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.554 4.674 -6.606 1.00 0.00 C ATOM 1388 CG LYS A 87 -11.803 4.411 -8.109 1.00 0.00 C ATOM 1389 CD LYS A 87 -10.668 3.729 -8.906 1.00 0.00 C ATOM 1390 CE LYS A 87 -9.339 4.502 -8.861 1.00 0.00 C ATOM 1391 NZ LYS A 87 -8.231 3.729 -9.483 1.00 0.00 N ATOM 0 H LYS A 87 -10.937 4.802 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.862 3.290 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.194 5.501 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.523 5.007 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.697 3.794 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.024 5.366 -8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.509 2.725 -8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.980 3.617 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.454 5.454 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.086 4.731 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.546 4.386 -9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.756 3.157 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.615 3.103 -10.219 1.00 0.00 H new ATOM 1405 N THR A 88 -9.807 2.078 -5.924 1.00 0.00 N ATOM 1406 CA THR A 88 -9.042 0.896 -6.353 1.00 0.00 C ATOM 1407 C THR A 88 -9.409 -0.363 -5.558 1.00 0.00 C ATOM 1408 O THR A 88 -9.446 -1.455 -6.127 1.00 0.00 O ATOM 1409 CB THR A 88 -7.538 1.179 -6.325 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.286 2.312 -7.133 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.726 0.058 -6.954 1.00 0.00 C ATOM 0 H THR A 88 -9.234 2.790 -5.472 1.00 0.00 H new ATOM 0 HA THR A 88 -9.321 0.688 -7.386 1.00 0.00 H new ATOM 0 HB THR A 88 -7.256 1.305 -5.280 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.321 3.121 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.666 0.307 -6.909 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.904 -0.870 -6.410 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.025 -0.068 -7.994 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.784 -0.217 -4.285 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.298 -1.299 -3.455 1.00 0.00 C ATOM 1421 C ALA A 89 -11.705 -1.732 -3.909 1.00 0.00 C ATOM 1422 O ALA A 89 -11.987 -2.927 -3.988 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.282 -0.826 -1.999 1.00 0.00 C ATOM 0 H ALA A 89 -9.736 0.677 -3.796 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.667 -2.182 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.663 -1.619 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.261 -0.580 -1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.911 0.058 -1.897 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.562 -0.775 -4.294 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.881 -1.068 -4.876 1.00 0.00 C ATOM 1431 C GLU A 90 -13.785 -1.682 -6.285 1.00 0.00 C ATOM 1432 O GLU A 90 -14.582 -2.549 -6.653 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.758 0.197 -4.930 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.178 0.706 -3.547 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.184 1.866 -3.671 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.759 3.041 -3.787 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.414 1.610 -3.649 1.00 0.00 O ATOM 0 H GLU A 90 -12.361 0.222 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.343 -1.805 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.213 0.986 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.651 -0.014 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.624 -0.108 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.299 1.039 -2.995 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.785 -1.260 -7.062 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.496 -1.713 -8.420 1.00 0.00 C ATOM 1446 C ALA A 91 -11.817 -3.100 -8.484 1.00 0.00 C ATOM 1447 O ALA A 91 -11.696 -3.676 -9.568 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.632 -0.628 -9.080 1.00 0.00 C ATOM 0 H ALA A 91 -12.121 -0.555 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.435 -1.852 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.391 -0.926 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.180 0.314 -9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.710 -0.501 -8.512 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.373 -3.644 -7.344 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.672 -4.930 -7.264 1.00 0.00 C ATOM 1456 C GLY A 92 -9.231 -4.892 -7.798 1.00 0.00 C ATOM 1457 O GLY A 92 -8.737 -5.909 -8.292 1.00 0.00 O ATOM 0 H GLY A 92 -11.493 -3.195 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.655 -5.258 -6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.237 -5.675 -7.824 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.563 -3.734 -7.724 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.171 -3.543 -8.114 1.00 0.00 C ATOM 1463 C GLY A 93 -6.950 -2.751 -9.405 1.00 0.00 C ATOM 1464 O GLY A 93 -7.783 -2.733 -10.314 1.00 0.00 O ATOM 0 H GLY A 93 -8.997 -2.878 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.651 -3.033 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.706 -4.522 -8.225 1.00 0.00 H new