USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 MET CE :methyl 154:sc= -2.42! (180deg=-4.57!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.012) USER MOD Single : A 20 CYS SG : rot -150:sc= -1.58 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.874 K(o=-0.87,f=-1.5) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc=-0.00604 K(o=-0.006,f=-1.5) USER MOD Single : A 38 SER OG : rot 71:sc= 0.292 USER MOD Single : A 40 LYS NZ :NH3+ -112:sc= -1.65! (180deg=-4.63!) USER MOD Single : A 42 ASN : amide:sc= -0.0135 X(o=-0.013,f=-0.15) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 48 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.8) USER MOD Single : A 53 LYS NZ :NH3+ -124:sc= 1.4 (180deg=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.948 USER MOD Single : A 67 SER OG : rot -58:sc= 0.0139 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 113:sc= 0.376 USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0704) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.057 -13.570 5.183 1.00 0.00 N ATOM 60 CA GLY A 7 6.068 -12.996 3.850 1.00 0.00 C ATOM 61 C GLY A 7 7.038 -11.839 3.725 1.00 0.00 C ATOM 62 O GLY A 7 8.252 -12.039 3.695 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.333 -13.768 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.065 -12.654 3.597 1.00 0.00 H new ATOM 66 N MET A 8 6.503 -10.625 3.649 1.00 0.00 N ATOM 67 CA MET A 8 7.331 -9.431 3.526 1.00 0.00 C ATOM 68 C MET A 8 6.687 -8.247 4.241 1.00 0.00 C ATOM 69 O MET A 8 5.476 -8.225 4.456 1.00 0.00 O ATOM 70 CB MET A 8 7.556 -9.090 2.051 1.00 0.00 C ATOM 71 CG MET A 8 6.313 -8.564 1.352 1.00 0.00 C ATOM 72 SD MET A 8 6.696 -7.664 -0.162 1.00 0.00 S ATOM 73 CE MET A 8 5.140 -6.828 -0.462 1.00 0.00 C ATOM 0 H MET A 8 5.500 -10.442 3.670 1.00 0.00 H new ATOM 0 HA MET A 8 8.293 -9.637 3.995 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.348 -8.345 1.976 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.906 -9.981 1.530 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.653 -9.399 1.117 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.769 -7.909 2.032 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.320 -5.921 -1.039 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.475 -7.487 -1.020 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.678 -6.567 0.490 1.00 0.00 H new ATOM 83 N GLN A 9 7.506 -7.266 4.605 1.00 0.00 N ATOM 84 CA GLN A 9 7.015 -6.079 5.297 1.00 0.00 C ATOM 85 C GLN A 9 6.974 -4.879 4.356 1.00 0.00 C ATOM 86 O GLN A 9 7.803 -4.755 3.455 1.00 0.00 O ATOM 87 CB GLN A 9 7.900 -5.765 6.505 1.00 0.00 C ATOM 88 CG GLN A 9 7.229 -4.869 7.533 1.00 0.00 C ATOM 89 CD GLN A 9 7.980 -4.827 8.849 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.211 -4.805 8.875 1.00 0.00 O ATOM 91 NE2 GLN A 9 7.241 -4.815 9.953 1.00 0.00 N ATOM 0 H GLN A 9 8.511 -7.269 4.433 1.00 0.00 H new ATOM 0 HA GLN A 9 6.001 -6.283 5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.191 -6.700 6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.816 -5.285 6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.150 -3.859 7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.213 -5.223 7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.223 -4.834 9.886 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.691 -4.787 10.868 1.00 0.00 H new ATOM 100 N LEU A 10 6.002 -3.999 4.572 1.00 0.00 N ATOM 101 CA LEU A 10 5.852 -2.808 3.743 1.00 0.00 C ATOM 102 C LEU A 10 5.618 -1.571 4.604 1.00 0.00 C ATOM 103 O LEU A 10 4.798 -1.587 5.523 1.00 0.00 O ATOM 104 CB LEU A 10 4.691 -2.988 2.763 1.00 0.00 C ATOM 105 CG LEU A 10 4.922 -3.982 1.624 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.697 -4.061 0.727 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.152 -3.592 0.817 1.00 0.00 C ATOM 0 H LEU A 10 5.307 -4.088 5.313 1.00 0.00 H new ATOM 0 HA LEU A 10 6.776 -2.668 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.814 -3.308 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.455 -2.017 2.328 1.00 0.00 H new ATOM 0 HG LEU A 10 5.093 -4.967 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.880 -4.773 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.838 -4.388 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.493 -3.078 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.301 -4.310 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.010 -2.597 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.027 -3.589 1.467 1.00 0.00 H new ATOM 119 N THR A 11 6.342 -0.498 4.300 1.00 0.00 N ATOM 120 CA THR A 11 6.212 0.748 5.045 1.00 0.00 C ATOM 121 C THR A 11 5.553 1.829 4.197 1.00 0.00 C ATOM 122 O THR A 11 6.196 2.444 3.346 1.00 0.00 O ATOM 123 CB THR A 11 7.583 1.256 5.531 1.00 0.00 C ATOM 124 OG1 THR A 11 8.388 0.155 5.967 1.00 0.00 O ATOM 125 CG2 THR A 11 7.418 2.253 6.668 1.00 0.00 C ATOM 0 H THR A 11 7.025 -0.467 3.543 1.00 0.00 H new ATOM 0 HA THR A 11 5.584 0.536 5.910 1.00 0.00 H new ATOM 0 HB THR A 11 8.076 1.757 4.698 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.258 0.487 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.399 2.598 6.995 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.830 3.104 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.906 1.773 7.502 1.00 0.00 H new ATOM 133 N VAL A 12 4.265 2.058 4.435 1.00 0.00 N ATOM 134 CA VAL A 12 3.519 3.068 3.694 1.00 0.00 C ATOM 135 C VAL A 12 3.677 4.445 4.329 1.00 0.00 C ATOM 136 O VAL A 12 3.267 4.667 5.468 1.00 0.00 O ATOM 137 CB VAL A 12 2.021 2.718 3.622 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.216 3.910 3.127 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.799 1.507 2.728 1.00 0.00 C ATOM 0 H VAL A 12 3.717 1.558 5.135 1.00 0.00 H new ATOM 0 HA VAL A 12 3.930 3.087 2.685 1.00 0.00 H new ATOM 0 HB VAL A 12 1.676 2.469 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.160 3.643 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.350 4.749 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.560 4.194 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.735 1.274 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.160 1.726 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.343 0.653 3.131 1.00 0.00 H new ATOM 149 N LYS A 13 4.276 5.368 3.584 1.00 0.00 N ATOM 150 CA LYS A 13 4.488 6.726 4.072 1.00 0.00 C ATOM 151 C LYS A 13 3.580 7.713 3.346 1.00 0.00 C ATOM 152 O LYS A 13 3.485 7.696 2.119 1.00 0.00 O ATOM 153 CB LYS A 13 5.952 7.132 3.889 1.00 0.00 C ATOM 154 CG LYS A 13 6.382 8.278 4.788 1.00 0.00 C ATOM 155 CD LYS A 13 7.860 8.193 5.131 1.00 0.00 C ATOM 156 CE LYS A 13 8.366 9.490 5.744 1.00 0.00 C ATOM 157 NZ LYS A 13 8.575 10.545 4.715 1.00 0.00 N ATOM 0 H LYS A 13 4.623 5.200 2.640 1.00 0.00 H new ATOM 0 HA LYS A 13 4.242 6.747 5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.587 6.268 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.114 7.416 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.176 9.227 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.793 8.263 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.026 7.371 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.431 7.968 4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.651 9.844 6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.303 9.303 6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.999 11.384 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.211 10.186 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.661 10.803 4.291 1.00 0.00 H new ATOM 171 N ALA A 14 2.917 8.573 4.112 1.00 0.00 N ATOM 172 CA ALA A 14 2.020 9.570 3.540 1.00 0.00 C ATOM 173 C ALA A 14 2.755 10.878 3.268 1.00 0.00 C ATOM 174 O ALA A 14 3.837 11.118 3.806 1.00 0.00 O ATOM 175 CB ALA A 14 0.838 9.810 4.468 1.00 0.00 C ATOM 0 H ALA A 14 2.984 8.600 5.129 1.00 0.00 H new ATOM 0 HA ALA A 14 1.650 9.187 2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.176 10.557 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.291 8.878 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.199 10.168 5.432 1.00 0.00 H new ATOM 224 N ARG A 18 2.803 11.112 8.170 1.00 0.00 N ATOM 225 CA ARG A 18 2.263 9.939 8.848 1.00 0.00 C ATOM 226 C ARG A 18 2.542 8.672 8.046 1.00 0.00 C ATOM 227 O ARG A 18 2.232 8.596 6.858 1.00 0.00 O ATOM 228 CB ARG A 18 0.756 10.098 9.063 1.00 0.00 C ATOM 229 CG ARG A 18 0.398 10.829 10.346 1.00 0.00 C ATOM 230 CD ARG A 18 0.408 9.890 11.543 1.00 0.00 C ATOM 231 NE ARG A 18 0.040 10.576 12.779 1.00 0.00 N ATOM 232 CZ ARG A 18 0.902 11.253 13.529 1.00 0.00 C ATOM 233 NH1 ARG A 18 2.175 11.337 13.169 1.00 0.00 N ATOM 234 NH2 ARG A 18 0.490 11.850 14.640 1.00 0.00 N ATOM 0 HA ARG A 18 2.755 9.851 9.817 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.332 10.638 8.217 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.293 9.111 9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.106 11.641 10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.588 11.282 10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.285 9.068 11.365 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.400 9.453 11.653 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.933 10.533 13.083 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.494 10.881 12.314 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.835 11.858 13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.489 11.789 14.919 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.153 12.370 15.216 1.00 0.00 H new ATOM 248 N GLU A 19 3.131 7.679 8.705 1.00 0.00 N ATOM 249 CA GLU A 19 3.454 6.415 8.053 1.00 0.00 C ATOM 250 C GLU A 19 2.881 5.237 8.836 1.00 0.00 C ATOM 251 O GLU A 19 2.360 5.405 9.940 1.00 0.00 O ATOM 252 CB GLU A 19 4.969 6.260 7.913 1.00 0.00 C ATOM 253 CG GLU A 19 5.717 6.368 9.232 1.00 0.00 C ATOM 254 CD GLU A 19 7.018 5.590 9.230 1.00 0.00 C ATOM 255 OE1 GLU A 19 8.005 6.084 8.646 1.00 0.00 O ATOM 256 OE2 GLU A 19 7.050 4.487 9.815 1.00 0.00 O ATOM 0 H GLU A 19 3.394 7.725 9.689 1.00 0.00 H new ATOM 0 HA GLU A 19 3.004 6.423 7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.186 5.293 7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.342 7.023 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.926 7.417 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.080 6.002 10.037 1.00 0.00 H new ATOM 263 N CYS A 20 2.981 4.045 8.258 1.00 0.00 N ATOM 264 CA CYS A 20 2.472 2.838 8.900 1.00 0.00 C ATOM 265 C CYS A 20 3.019 1.588 8.218 1.00 0.00 C ATOM 266 O CYS A 20 2.942 1.451 6.997 1.00 0.00 O ATOM 267 CB CYS A 20 0.943 2.825 8.867 1.00 0.00 C ATOM 268 SG CYS A 20 0.239 2.919 7.205 1.00 0.00 S ATOM 0 H CYS A 20 3.410 3.888 7.346 1.00 0.00 H new ATOM 0 HA CYS A 20 2.806 2.839 9.938 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.588 1.914 9.349 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.571 3.663 9.456 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.914 3.516 7.255 1.00 0.00 H new ATOM 274 N SER A 21 3.572 0.680 9.015 1.00 0.00 N ATOM 275 CA SER A 21 4.137 -0.557 8.488 1.00 0.00 C ATOM 276 C SER A 21 3.183 -1.727 8.709 1.00 0.00 C ATOM 277 O SER A 21 2.407 -1.739 9.666 1.00 0.00 O ATOM 278 CB SER A 21 5.484 -0.850 9.151 1.00 0.00 C ATOM 279 OG SER A 21 5.323 -1.134 10.530 1.00 0.00 O ATOM 0 H SER A 21 3.641 0.777 10.028 1.00 0.00 H new ATOM 0 HA SER A 21 4.288 -0.431 7.416 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.960 -1.696 8.656 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.147 0.006 9.028 1.00 0.00 H new ATOM 0 HG SER A 21 6.198 -1.319 10.930 1.00 0.00 H new ATOM 285 N LEU A 22 3.246 -2.710 7.818 1.00 0.00 N ATOM 286 CA LEU A 22 2.389 -3.886 7.914 1.00 0.00 C ATOM 287 C LEU A 22 3.090 -5.119 7.352 1.00 0.00 C ATOM 288 O LEU A 22 4.105 -5.007 6.665 1.00 0.00 O ATOM 289 CB LEU A 22 1.076 -3.647 7.167 1.00 0.00 C ATOM 290 CG LEU A 22 -0.024 -2.932 7.953 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.928 -2.149 7.013 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.833 -3.930 8.767 1.00 0.00 C ATOM 0 H LEU A 22 3.882 -2.716 7.021 1.00 0.00 H new ATOM 0 HA LEU A 22 2.174 -4.062 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.292 -3.064 6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.690 -4.611 6.835 1.00 0.00 H new ATOM 0 HG LEU A 22 0.446 -2.229 8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.705 -1.647 7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.338 -1.407 6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.390 -2.832 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.611 -3.403 9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.293 -4.658 8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.176 -4.446 9.468 1.00 0.00 H new ATOM 304 N GLN A 23 2.540 -6.292 7.647 1.00 0.00 N ATOM 305 CA GLN A 23 3.113 -7.545 7.169 1.00 0.00 C ATOM 306 C GLN A 23 2.190 -8.215 6.156 1.00 0.00 C ATOM 307 O GLN A 23 1.008 -8.429 6.425 1.00 0.00 O ATOM 308 CB GLN A 23 3.373 -8.491 8.343 1.00 0.00 C ATOM 309 CG GLN A 23 2.199 -8.610 9.301 1.00 0.00 C ATOM 310 CD GLN A 23 2.192 -7.519 10.354 1.00 0.00 C ATOM 311 OE1 GLN A 23 1.294 -6.677 10.386 1.00 0.00 O ATOM 312 NE2 GLN A 23 3.196 -7.529 11.223 1.00 0.00 N ATOM 0 H GLN A 23 1.699 -6.401 8.214 1.00 0.00 H new ATOM 0 HA GLN A 23 4.059 -7.318 6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.616 -9.480 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.246 -8.142 8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.268 -8.570 8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.232 -9.583 9.791 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.919 -8.246 11.159 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.244 -6.820 11.954 1.00 0.00 H new ATOM 321 N VAL A 24 2.737 -8.542 4.990 1.00 0.00 N ATOM 322 CA VAL A 24 1.963 -9.188 3.937 1.00 0.00 C ATOM 323 C VAL A 24 2.876 -9.842 2.906 1.00 0.00 C ATOM 324 O VAL A 24 4.016 -9.426 2.697 1.00 0.00 O ATOM 325 CB VAL A 24 1.039 -8.183 3.224 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.066 -7.716 4.160 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.840 -7.002 2.699 1.00 0.00 C ATOM 0 H VAL A 24 3.713 -8.370 4.751 1.00 0.00 H new ATOM 0 HA VAL A 24 1.354 -9.954 4.416 1.00 0.00 H new ATOM 0 HB VAL A 24 0.574 -8.683 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.709 -7.007 3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.657 -8.573 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.376 -7.233 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.171 -6.302 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.335 -6.499 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.590 -7.356 1.992 1.00 0.00 H new ATOM 337 N PRO A 25 2.366 -10.891 2.244 1.00 0.00 N ATOM 338 CA PRO A 25 3.118 -11.625 1.223 1.00 0.00 C ATOM 339 C PRO A 25 3.329 -10.803 -0.045 1.00 0.00 C ATOM 340 O PRO A 25 2.724 -9.745 -0.216 1.00 0.00 O ATOM 341 CB PRO A 25 2.231 -12.838 0.932 1.00 0.00 C ATOM 342 CG PRO A 25 0.855 -12.396 1.292 1.00 0.00 C ATOM 343 CD PRO A 25 1.014 -11.441 2.442 1.00 0.00 C ATOM 0 HA PRO A 25 4.120 -11.885 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.291 -13.130 -0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.536 -13.702 1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.367 -11.911 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.233 -13.246 1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.255 -10.659 2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.923 -11.949 3.402 1.00 0.00 H new ATOM 351 N GLU A 26 4.189 -11.297 -0.929 1.00 0.00 N ATOM 352 CA GLU A 26 4.479 -10.607 -2.180 1.00 0.00 C ATOM 353 C GLU A 26 3.373 -10.849 -3.204 1.00 0.00 C ATOM 354 O GLU A 26 3.077 -9.986 -4.031 1.00 0.00 O ATOM 355 CB GLU A 26 5.822 -11.071 -2.746 1.00 0.00 C ATOM 356 CG GLU A 26 5.874 -12.559 -3.048 1.00 0.00 C ATOM 357 CD GLU A 26 7.223 -12.999 -3.584 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.960 -12.141 -4.113 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.540 -14.202 -3.475 1.00 0.00 O ATOM 0 H GLU A 26 4.697 -12.172 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 26 4.531 -9.538 -1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.033 -10.516 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.611 -10.825 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.648 -13.118 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.100 -12.806 -3.775 1.00 0.00 H new ATOM 366 N ASP A 27 2.766 -12.030 -3.142 1.00 0.00 N ATOM 367 CA ASP A 27 1.693 -12.387 -4.062 1.00 0.00 C ATOM 368 C ASP A 27 0.347 -11.884 -3.549 1.00 0.00 C ATOM 369 O ASP A 27 -0.706 -12.336 -3.995 1.00 0.00 O ATOM 370 CB ASP A 27 1.643 -13.903 -4.258 1.00 0.00 C ATOM 371 CG ASP A 27 1.570 -14.654 -2.943 1.00 0.00 C ATOM 372 OD1 ASP A 27 0.727 -14.290 -2.097 1.00 0.00 O ATOM 373 OD2 ASP A 27 2.355 -15.608 -2.761 1.00 0.00 O ATOM 0 H ASP A 27 2.999 -12.756 -2.464 1.00 0.00 H new ATOM 0 HA ASP A 27 1.897 -11.911 -5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.777 -14.159 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.527 -14.225 -4.808 1.00 0.00 H new ATOM 378 N GLU A 28 0.391 -10.946 -2.607 1.00 0.00 N ATOM 379 CA GLU A 28 -0.825 -10.384 -2.033 1.00 0.00 C ATOM 380 C GLU A 28 -1.562 -9.522 -3.054 1.00 0.00 C ATOM 381 O GLU A 28 -0.968 -9.037 -4.018 1.00 0.00 O ATOM 382 CB GLU A 28 -0.492 -9.551 -0.793 1.00 0.00 C ATOM 383 CG GLU A 28 -1.646 -9.432 0.188 1.00 0.00 C ATOM 384 CD GLU A 28 -1.871 -10.704 0.982 1.00 0.00 C ATOM 385 OE1 GLU A 28 -1.842 -11.795 0.376 1.00 0.00 O ATOM 386 OE2 GLU A 28 -2.075 -10.608 2.210 1.00 0.00 O ATOM 0 H GLU A 28 1.255 -10.560 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.475 -11.210 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.362 -9.998 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.189 -8.552 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.450 -8.609 0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.557 -9.182 -0.357 1.00 0.00 H new ATOM 393 N LEU A 29 -2.859 -9.338 -2.837 1.00 0.00 N ATOM 394 CA LEU A 29 -3.679 -8.535 -3.739 1.00 0.00 C ATOM 395 C LEU A 29 -3.630 -7.061 -3.352 1.00 0.00 C ATOM 396 O LEU A 29 -3.614 -6.718 -2.169 1.00 0.00 O ATOM 397 CB LEU A 29 -5.126 -9.031 -3.721 1.00 0.00 C ATOM 398 CG LEU A 29 -5.319 -10.541 -3.865 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.787 -10.909 -3.710 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.787 -11.022 -5.207 1.00 0.00 C ATOM 0 H LEU A 29 -3.366 -9.733 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.277 -8.640 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.586 -8.714 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.669 -8.537 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.755 -11.036 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.905 -11.987 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.137 -10.600 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.372 -10.403 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.933 -12.099 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.323 -10.519 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.724 -10.793 -5.280 1.00 0.00 H new ATOM 412 N VAL A 30 -3.610 -6.191 -4.357 1.00 0.00 N ATOM 413 CA VAL A 30 -3.567 -4.752 -4.122 1.00 0.00 C ATOM 414 C VAL A 30 -4.850 -4.265 -3.459 1.00 0.00 C ATOM 415 O VAL A 30 -4.857 -3.244 -2.771 1.00 0.00 O ATOM 416 CB VAL A 30 -3.353 -3.976 -5.435 1.00 0.00 C ATOM 417 CG1 VAL A 30 -2.995 -2.526 -5.145 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.275 -4.641 -6.278 1.00 0.00 C ATOM 0 H VAL A 30 -3.623 -6.457 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.725 -4.564 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.284 -3.990 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.847 -1.993 -6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.804 -2.057 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.077 -2.488 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.137 -4.079 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.338 -4.660 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.576 -5.661 -6.515 1.00 0.00 H new ATOM 428 N SER A 31 -5.936 -5.002 -3.670 1.00 0.00 N ATOM 429 CA SER A 31 -7.227 -4.644 -3.096 1.00 0.00 C ATOM 430 C SER A 31 -7.244 -4.904 -1.593 1.00 0.00 C ATOM 431 O SER A 31 -7.886 -4.179 -0.832 1.00 0.00 O ATOM 432 CB SER A 31 -8.348 -5.434 -3.774 1.00 0.00 C ATOM 433 OG SER A 31 -8.212 -6.823 -3.531 1.00 0.00 O ATOM 0 H SER A 31 -5.947 -5.851 -4.235 1.00 0.00 H new ATOM 0 HA SER A 31 -7.389 -3.579 -3.265 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.314 -5.090 -3.405 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.332 -5.246 -4.848 1.00 0.00 H new ATOM 0 HG SER A 31 -8.941 -7.305 -3.973 1.00 0.00 H new ATOM 439 N THR A 32 -6.533 -5.945 -1.170 1.00 0.00 N ATOM 440 CA THR A 32 -6.466 -6.303 0.241 1.00 0.00 C ATOM 441 C THR A 32 -5.328 -5.568 0.941 1.00 0.00 C ATOM 442 O THR A 32 -5.416 -5.253 2.128 1.00 0.00 O ATOM 443 CB THR A 32 -6.275 -7.820 0.427 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.406 -8.524 -0.097 1.00 0.00 O ATOM 445 CG2 THR A 32 -6.092 -8.165 1.897 1.00 0.00 C ATOM 0 H THR A 32 -5.995 -6.555 -1.786 1.00 0.00 H new ATOM 0 HA THR A 32 -7.415 -6.007 0.688 1.00 0.00 H new ATOM 0 HB THR A 32 -5.378 -8.121 -0.115 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.276 -9.488 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.959 -9.242 2.004 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.213 -7.650 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.973 -7.851 2.457 1.00 0.00 H new ATOM 453 N LEU A 33 -4.260 -5.298 0.199 1.00 0.00 N ATOM 454 CA LEU A 33 -3.103 -4.600 0.749 1.00 0.00 C ATOM 455 C LEU A 33 -3.467 -3.173 1.147 1.00 0.00 C ATOM 456 O LEU A 33 -2.912 -2.620 2.096 1.00 0.00 O ATOM 457 CB LEU A 33 -1.962 -4.582 -0.269 1.00 0.00 C ATOM 458 CG LEU A 33 -1.229 -5.907 -0.480 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.646 -5.979 -1.882 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.135 -6.084 0.564 1.00 0.00 C ATOM 0 H LEU A 33 -4.171 -5.552 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.777 -5.135 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.363 -4.255 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.234 -3.833 0.044 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.948 -6.719 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.128 -6.929 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.449 -5.900 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.058 -5.160 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.376 -7.032 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.581 -5.267 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.578 -6.080 1.560 1.00 0.00 H new ATOM 472 N LYS A 34 -4.406 -2.582 0.415 1.00 0.00 N ATOM 473 CA LYS A 34 -4.848 -1.220 0.693 1.00 0.00 C ATOM 474 C LYS A 34 -5.816 -1.192 1.872 1.00 0.00 C ATOM 475 O LYS A 34 -5.786 -0.271 2.688 1.00 0.00 O ATOM 476 CB LYS A 34 -5.517 -0.617 -0.544 1.00 0.00 C ATOM 477 CG LYS A 34 -4.534 -0.180 -1.616 1.00 0.00 C ATOM 478 CD LYS A 34 -5.187 -0.135 -2.987 1.00 0.00 C ATOM 479 CE LYS A 34 -4.309 0.586 -3.999 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.071 0.972 -5.219 1.00 0.00 N ATOM 0 H LYS A 34 -4.875 -3.025 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.972 -0.626 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.203 -1.350 -0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.116 0.242 -0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.138 0.805 -1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.688 -0.867 -1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.383 -1.150 -3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.151 0.369 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.883 1.478 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.475 -0.057 -4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.438 1.461 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.457 0.119 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.851 1.606 -4.955 1.00 0.00 H new ATOM 494 N GLN A 35 -6.670 -2.207 1.955 1.00 0.00 N ATOM 495 CA GLN A 35 -7.645 -2.297 3.035 1.00 0.00 C ATOM 496 C GLN A 35 -6.951 -2.363 4.391 1.00 0.00 C ATOM 497 O GLN A 35 -7.452 -1.834 5.384 1.00 0.00 O ATOM 498 CB GLN A 35 -8.536 -3.526 2.845 1.00 0.00 C ATOM 499 CG GLN A 35 -9.553 -3.372 1.725 1.00 0.00 C ATOM 500 CD GLN A 35 -10.306 -4.657 1.441 1.00 0.00 C ATOM 501 OE1 GLN A 35 -9.778 -5.754 1.627 1.00 0.00 O ATOM 502 NE2 GLN A 35 -11.547 -4.528 0.987 1.00 0.00 N ATOM 0 H GLN A 35 -6.706 -2.978 1.288 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.264 -1.400 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.907 -4.392 2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.062 -3.731 3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.264 -2.589 1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.043 -3.046 0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.945 -3.599 0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.102 -5.358 0.778 1.00 0.00 H new ATOM 511 N LEU A 36 -5.794 -3.016 4.427 1.00 0.00 N ATOM 512 CA LEU A 36 -5.030 -3.152 5.662 1.00 0.00 C ATOM 513 C LEU A 36 -4.568 -1.789 6.169 1.00 0.00 C ATOM 514 O LEU A 36 -4.576 -1.527 7.372 1.00 0.00 O ATOM 515 CB LEU A 36 -3.822 -4.063 5.440 1.00 0.00 C ATOM 516 CG LEU A 36 -4.130 -5.543 5.214 1.00 0.00 C ATOM 517 CD1 LEU A 36 -2.953 -6.238 4.547 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.475 -6.223 6.531 1.00 0.00 C ATOM 0 H LEU A 36 -5.365 -3.459 3.615 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.680 -3.598 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.266 -3.693 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.164 -3.977 6.305 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.993 -5.617 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.191 -7.291 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.751 -5.768 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.072 -6.154 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.691 -7.276 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.632 -6.138 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.349 -5.743 6.970 1.00 0.00 H new ATOM 530 N VAL A 37 -4.166 -0.924 5.243 1.00 0.00 N ATOM 531 CA VAL A 37 -3.704 0.413 5.595 1.00 0.00 C ATOM 532 C VAL A 37 -4.872 1.317 5.971 1.00 0.00 C ATOM 533 O VAL A 37 -4.746 2.184 6.836 1.00 0.00 O ATOM 534 CB VAL A 37 -2.920 1.059 4.437 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.423 2.441 4.834 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.763 0.168 4.014 1.00 0.00 C ATOM 0 H VAL A 37 -4.151 -1.126 4.243 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.043 0.303 6.455 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.591 1.171 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.871 2.882 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.273 3.076 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.768 2.357 5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.221 0.640 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.089 0.021 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.148 -0.797 3.685 1.00 0.00 H new ATOM 546 N SER A 38 -6.009 1.109 5.316 1.00 0.00 N ATOM 547 CA SER A 38 -7.201 1.907 5.579 1.00 0.00 C ATOM 548 C SER A 38 -7.506 1.951 7.073 1.00 0.00 C ATOM 549 O SER A 38 -7.693 3.023 7.648 1.00 0.00 O ATOM 550 CB SER A 38 -8.400 1.339 4.818 1.00 0.00 C ATOM 551 OG SER A 38 -9.611 1.597 5.508 1.00 0.00 O ATOM 0 H SER A 38 -6.130 0.394 4.599 1.00 0.00 H new ATOM 0 HA SER A 38 -7.011 2.923 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.444 1.780 3.822 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.275 0.264 4.686 1.00 0.00 H new ATOM 0 HG SER A 38 -9.819 2.553 5.457 1.00 0.00 H new ATOM 557 N GLU A 39 -7.555 0.778 7.696 1.00 0.00 N ATOM 558 CA GLU A 39 -7.839 0.682 9.123 1.00 0.00 C ATOM 559 C GLU A 39 -6.726 1.328 9.943 1.00 0.00 C ATOM 560 O GLU A 39 -6.986 2.019 10.929 1.00 0.00 O ATOM 561 CB GLU A 39 -8.006 -0.782 9.535 1.00 0.00 C ATOM 562 CG GLU A 39 -6.842 -1.668 9.123 1.00 0.00 C ATOM 563 CD GLU A 39 -7.060 -3.124 9.486 1.00 0.00 C ATOM 564 OE1 GLU A 39 -6.721 -3.508 10.625 1.00 0.00 O ATOM 565 OE2 GLU A 39 -7.568 -3.879 8.632 1.00 0.00 O ATOM 0 H GLU A 39 -7.402 -0.119 7.235 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.769 1.216 9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.126 -0.834 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.923 -1.172 9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.690 -1.585 8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.931 -1.310 9.602 1.00 0.00 H new ATOM 572 N LYS A 40 -5.484 1.098 9.530 1.00 0.00 N ATOM 573 CA LYS A 40 -4.331 1.657 10.225 1.00 0.00 C ATOM 574 C LYS A 40 -4.500 3.158 10.440 1.00 0.00 C ATOM 575 O LYS A 40 -4.640 3.621 11.572 1.00 0.00 O ATOM 576 CB LYS A 40 -3.051 1.386 9.430 1.00 0.00 C ATOM 577 CG LYS A 40 -2.406 0.049 9.754 1.00 0.00 C ATOM 578 CD LYS A 40 -1.420 0.170 10.904 1.00 0.00 C ATOM 579 CE LYS A 40 -2.121 0.081 12.250 1.00 0.00 C ATOM 580 NZ LYS A 40 -2.568 1.418 12.732 1.00 0.00 N ATOM 0 H LYS A 40 -5.250 0.528 8.717 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.256 1.175 11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.280 1.421 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.335 2.183 9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.178 -0.676 10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.892 -0.332 8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.673 -0.620 10.829 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.889 1.119 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.982 -0.582 12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.446 -0.362 12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.014 1.688 13.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.426 2.123 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.576 1.377 12.983 1.00 0.00 H new ATOM 594 N LEU A 41 -4.487 3.913 9.347 1.00 0.00 N ATOM 595 CA LEU A 41 -4.640 5.362 9.416 1.00 0.00 C ATOM 596 C LEU A 41 -6.114 5.755 9.394 1.00 0.00 C ATOM 597 O LEU A 41 -6.452 6.936 9.452 1.00 0.00 O ATOM 598 CB LEU A 41 -3.906 6.028 8.251 1.00 0.00 C ATOM 599 CG LEU A 41 -2.385 5.874 8.240 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.829 6.158 6.853 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.748 6.795 9.271 1.00 0.00 C ATOM 0 H LEU A 41 -4.372 3.546 8.402 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.205 5.705 10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.299 5.621 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.143 7.092 8.259 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.142 4.844 8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.745 6.043 6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.260 5.457 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.083 7.177 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.665 6.672 9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.000 7.830 9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.122 6.544 10.264 1.00 0.00 H new ATOM 613 N ASN A 42 -6.986 4.755 9.313 1.00 0.00 N ATOM 614 CA ASN A 42 -8.424 4.997 9.286 1.00 0.00 C ATOM 615 C ASN A 42 -8.818 5.799 8.049 1.00 0.00 C ATOM 616 O ASN A 42 -9.672 6.683 8.116 1.00 0.00 O ATOM 617 CB ASN A 42 -8.862 5.740 10.550 1.00 0.00 C ATOM 618 CG ASN A 42 -9.196 4.796 11.689 1.00 0.00 C ATOM 619 OD1 ASN A 42 -9.986 3.866 11.528 1.00 0.00 O ATOM 620 ND2 ASN A 42 -8.593 5.032 12.849 1.00 0.00 N ATOM 0 H ASN A 42 -6.722 3.771 9.265 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.928 4.031 9.247 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.068 6.417 10.864 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.733 6.354 10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.778 4.430 13.652 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.945 5.815 12.937 1.00 0.00 H new ATOM 627 N VAL A 43 -8.190 5.483 6.921 1.00 0.00 N ATOM 628 CA VAL A 43 -8.476 6.172 5.669 1.00 0.00 C ATOM 629 C VAL A 43 -9.128 5.232 4.660 1.00 0.00 C ATOM 630 O VAL A 43 -8.734 4.076 4.507 1.00 0.00 O ATOM 631 CB VAL A 43 -7.196 6.764 5.049 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.519 7.501 3.758 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.503 7.687 6.040 1.00 0.00 C ATOM 0 H VAL A 43 -7.480 4.754 6.849 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.166 6.982 5.905 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.516 5.946 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.603 7.912 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.969 6.808 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.218 8.311 3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.601 8.097 5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.175 8.501 6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.236 7.125 6.935 1.00 0.00 H new ATOM 643 N PRO A 44 -10.150 5.739 3.954 1.00 0.00 N ATOM 644 CA PRO A 44 -10.878 4.962 2.947 1.00 0.00 C ATOM 645 C PRO A 44 -10.033 4.682 1.709 1.00 0.00 C ATOM 646 O PRO A 44 -9.492 5.600 1.093 1.00 0.00 O ATOM 647 CB PRO A 44 -12.063 5.862 2.593 1.00 0.00 C ATOM 648 CG PRO A 44 -11.598 7.242 2.907 1.00 0.00 C ATOM 649 CD PRO A 44 -10.673 7.109 4.085 1.00 0.00 C ATOM 0 HA PRO A 44 -11.168 3.980 3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.333 5.765 1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.947 5.600 3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.083 7.684 2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.440 7.893 3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.873 7.849 4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.201 7.249 5.028 1.00 0.00 H new ATOM 657 N VAL A 45 -9.923 3.407 1.349 1.00 0.00 N ATOM 658 CA VAL A 45 -9.145 3.006 0.182 1.00 0.00 C ATOM 659 C VAL A 45 -9.435 3.912 -1.009 1.00 0.00 C ATOM 660 O VAL A 45 -8.613 4.043 -1.916 1.00 0.00 O ATOM 661 CB VAL A 45 -9.439 1.547 -0.214 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.430 1.060 -1.243 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.434 0.651 1.016 1.00 0.00 C ATOM 0 H VAL A 45 -10.363 2.634 1.849 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.094 3.096 0.456 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.431 1.503 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.653 0.027 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.487 1.686 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.426 1.117 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.643 -0.376 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.457 0.698 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.198 0.989 1.716 1.00 0.00 H new ATOM 673 N ARG A 46 -10.608 4.537 -1.000 1.00 0.00 N ATOM 674 CA ARG A 46 -11.006 5.431 -2.080 1.00 0.00 C ATOM 675 C ARG A 46 -10.091 6.650 -2.142 1.00 0.00 C ATOM 676 O ARG A 46 -9.714 7.100 -3.223 1.00 0.00 O ATOM 677 CB ARG A 46 -12.457 5.877 -1.892 1.00 0.00 C ATOM 678 CG ARG A 46 -13.474 4.903 -2.464 1.00 0.00 C ATOM 679 CD ARG A 46 -14.870 5.505 -2.489 1.00 0.00 C ATOM 680 NE ARG A 46 -14.975 6.603 -3.445 1.00 0.00 N ATOM 681 CZ ARG A 46 -15.950 7.506 -3.423 1.00 0.00 C ATOM 682 NH1 ARG A 46 -16.897 7.441 -2.498 1.00 0.00 N ATOM 683 NH2 ARG A 46 -15.977 8.476 -4.328 1.00 0.00 N ATOM 0 H ARG A 46 -11.299 4.440 -0.256 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.920 4.886 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.652 6.009 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.593 6.850 -2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.180 4.621 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.481 3.991 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.594 4.731 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.127 5.866 -1.493 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.261 6.682 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.879 6.697 -1.801 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.644 8.135 -2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.249 8.529 -5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.725 9.169 -4.311 1.00 0.00 H new ATOM 697 N GLN A 47 -9.740 7.180 -0.975 1.00 0.00 N ATOM 698 CA GLN A 47 -8.870 8.348 -0.897 1.00 0.00 C ATOM 699 C GLN A 47 -7.404 7.943 -1.011 1.00 0.00 C ATOM 700 O GLN A 47 -6.748 8.233 -2.011 1.00 0.00 O ATOM 701 CB GLN A 47 -9.104 9.097 0.416 1.00 0.00 C ATOM 702 CG GLN A 47 -10.341 9.981 0.400 1.00 0.00 C ATOM 703 CD GLN A 47 -10.310 11.048 1.476 1.00 0.00 C ATOM 704 OE1 GLN A 47 -10.641 10.788 2.633 1.00 0.00 O ATOM 705 NE2 GLN A 47 -9.911 12.257 1.100 1.00 0.00 N ATOM 0 H GLN A 47 -10.044 6.820 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.112 9.007 -1.731 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.195 8.373 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.231 9.712 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.430 10.458 -0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.228 9.361 0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.646 12.428 0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.870 13.015 1.781 1.00 0.00 H new ATOM 714 N GLN A 48 -6.898 7.274 0.019 1.00 0.00 N ATOM 715 CA GLN A 48 -5.509 6.831 0.034 1.00 0.00 C ATOM 716 C GLN A 48 -5.134 6.170 -1.288 1.00 0.00 C ATOM 717 O GLN A 48 -5.952 5.490 -1.908 1.00 0.00 O ATOM 718 CB GLN A 48 -5.275 5.856 1.189 1.00 0.00 C ATOM 719 CG GLN A 48 -5.874 4.479 0.954 1.00 0.00 C ATOM 720 CD GLN A 48 -5.203 3.401 1.782 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.082 2.985 1.489 1.00 0.00 O ATOM 722 NE2 GLN A 48 -5.887 2.943 2.824 1.00 0.00 N ATOM 0 H GLN A 48 -7.429 7.027 0.854 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.876 7.708 0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.203 5.753 1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.700 6.277 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.938 4.504 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.789 4.226 -0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.813 3.317 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.486 2.218 3.418 1.00 0.00 H new ATOM 731 N ARG A 49 -3.893 6.376 -1.716 1.00 0.00 N ATOM 732 CA ARG A 49 -3.410 5.802 -2.966 1.00 0.00 C ATOM 733 C ARG A 49 -1.965 5.333 -2.827 1.00 0.00 C ATOM 734 O ARG A 49 -1.087 6.100 -2.429 1.00 0.00 O ATOM 735 CB ARG A 49 -3.518 6.825 -4.098 1.00 0.00 C ATOM 736 CG ARG A 49 -3.384 6.217 -5.484 1.00 0.00 C ATOM 737 CD ARG A 49 -3.372 7.288 -6.564 1.00 0.00 C ATOM 738 NE ARG A 49 -3.404 6.713 -7.906 1.00 0.00 N ATOM 739 CZ ARG A 49 -4.490 6.173 -8.448 1.00 0.00 C ATOM 740 NH1 ARG A 49 -5.627 6.135 -7.766 1.00 0.00 N ATOM 741 NH2 ARG A 49 -4.440 5.670 -9.675 1.00 0.00 N ATOM 0 H ARG A 49 -3.203 6.936 -1.215 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.033 4.940 -3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.479 7.334 -4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.745 7.582 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.465 5.633 -5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.210 5.529 -5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.231 7.946 -6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.479 7.903 -6.454 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.546 6.727 -8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.669 6.521 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.459 5.720 -8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.567 5.698 -10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.274 5.255 -10.091 1.00 0.00 H new ATOM 755 N LEU A 50 -1.724 4.069 -3.156 1.00 0.00 N ATOM 756 CA LEU A 50 -0.385 3.496 -3.068 1.00 0.00 C ATOM 757 C LEU A 50 0.395 3.734 -4.357 1.00 0.00 C ATOM 758 O LEU A 50 -0.137 3.572 -5.456 1.00 0.00 O ATOM 759 CB LEU A 50 -0.468 1.997 -2.777 1.00 0.00 C ATOM 760 CG LEU A 50 -0.950 1.610 -1.378 1.00 0.00 C ATOM 761 CD1 LEU A 50 -0.929 0.099 -1.206 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.094 2.282 -0.315 1.00 0.00 C ATOM 0 H LEU A 50 -2.439 3.421 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 50 0.141 3.989 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.136 1.542 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.519 1.562 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.977 1.954 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.275 -0.158 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.585 -0.361 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.088 -0.269 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.451 1.996 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.943 1.968 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.160 3.364 -0.425 1.00 0.00 H new ATOM 774 N LEU A 51 1.659 4.116 -4.215 1.00 0.00 N ATOM 775 CA LEU A 51 2.515 4.373 -5.368 1.00 0.00 C ATOM 776 C LEU A 51 3.885 3.729 -5.184 1.00 0.00 C ATOM 777 O LEU A 51 4.432 3.712 -4.081 1.00 0.00 O ATOM 778 CB LEU A 51 2.671 5.879 -5.586 1.00 0.00 C ATOM 779 CG LEU A 51 1.454 6.604 -6.161 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.508 8.086 -5.826 1.00 0.00 C ATOM 781 CD2 LEU A 51 1.373 6.398 -7.666 1.00 0.00 C ATOM 0 H LEU A 51 2.114 4.255 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 51 2.043 3.932 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.926 6.339 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.516 6.043 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 51 0.556 6.183 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.634 8.585 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.517 8.214 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.412 8.522 -6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.501 6.921 -8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.274 6.792 -8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.286 5.333 -7.883 1.00 0.00 H new ATOM 793 N PHE A 52 4.437 3.202 -6.273 1.00 0.00 N ATOM 794 CA PHE A 52 5.744 2.558 -6.232 1.00 0.00 C ATOM 795 C PHE A 52 6.665 3.129 -7.307 1.00 0.00 C ATOM 796 O PHE A 52 6.432 2.945 -8.502 1.00 0.00 O ATOM 797 CB PHE A 52 5.598 1.047 -6.419 1.00 0.00 C ATOM 798 CG PHE A 52 6.886 0.294 -6.246 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.376 0.016 -4.980 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.607 -0.136 -7.349 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.562 -0.676 -4.818 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.792 -0.828 -7.193 1.00 0.00 C ATOM 803 CZ PHE A 52 9.270 -1.100 -5.926 1.00 0.00 C ATOM 0 H PHE A 52 3.999 3.209 -7.194 1.00 0.00 H new ATOM 0 HA PHE A 52 6.188 2.754 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.867 0.670 -5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.202 0.849 -7.415 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.826 0.343 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.238 0.073 -8.342 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.935 -0.885 -3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.344 -1.156 -8.061 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.195 -1.643 -5.802 1.00 0.00 H new ATOM 813 N LYS A 53 7.712 3.822 -6.873 1.00 0.00 N ATOM 814 CA LYS A 53 8.670 4.420 -7.796 1.00 0.00 C ATOM 815 C LYS A 53 7.955 5.218 -8.881 1.00 0.00 C ATOM 816 O LYS A 53 8.436 5.321 -10.009 1.00 0.00 O ATOM 817 CB LYS A 53 9.538 3.334 -8.436 1.00 0.00 C ATOM 818 CG LYS A 53 10.717 2.913 -7.576 1.00 0.00 C ATOM 819 CD LYS A 53 11.776 2.193 -8.395 1.00 0.00 C ATOM 820 CE LYS A 53 11.439 0.720 -8.570 1.00 0.00 C ATOM 821 NZ LYS A 53 11.931 -0.101 -7.429 1.00 0.00 N ATOM 0 H LYS A 53 7.919 3.984 -5.887 1.00 0.00 H new ATOM 0 HA LYS A 53 9.307 5.100 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.919 2.461 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.909 3.695 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.156 3.792 -7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.370 2.261 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.865 2.666 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.745 2.290 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.359 0.603 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.880 0.354 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.547 -0.858 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.468 0.502 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.122 -0.521 -6.929 1.00 0.00 H new ATOM 835 N GLY A 54 6.803 5.784 -8.531 1.00 0.00 N ATOM 836 CA GLY A 54 6.041 6.567 -9.486 1.00 0.00 C ATOM 837 C GLY A 54 5.113 5.714 -10.327 1.00 0.00 C ATOM 838 O GLY A 54 4.762 6.083 -11.448 1.00 0.00 O ATOM 0 H GLY A 54 6.385 5.714 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.456 7.316 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.727 7.105 -10.140 1.00 0.00 H new ATOM 842 N LYS A 55 4.715 4.567 -9.787 1.00 0.00 N ATOM 843 CA LYS A 55 3.822 3.656 -10.495 1.00 0.00 C ATOM 844 C LYS A 55 2.479 3.547 -9.781 1.00 0.00 C ATOM 845 O LYS A 55 2.425 3.354 -8.567 1.00 0.00 O ATOM 846 CB LYS A 55 4.463 2.271 -10.614 1.00 0.00 C ATOM 847 CG LYS A 55 3.988 1.484 -11.823 1.00 0.00 C ATOM 848 CD LYS A 55 4.784 0.202 -12.001 1.00 0.00 C ATOM 849 CE LYS A 55 6.095 0.457 -12.729 1.00 0.00 C ATOM 850 NZ LYS A 55 6.868 -0.799 -12.936 1.00 0.00 N ATOM 0 H LYS A 55 4.997 4.246 -8.861 1.00 0.00 H new ATOM 0 HA LYS A 55 3.651 4.057 -11.494 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.546 2.384 -10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.246 1.700 -9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.931 1.244 -11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.081 2.099 -12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.988 -0.239 -11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.191 -0.521 -12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.890 0.921 -13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.697 1.164 -12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.754 -0.583 -13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.086 -1.229 -12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.305 -1.464 -13.503 1.00 0.00 H new ATOM 864 N ALA A 56 1.397 3.672 -10.543 1.00 0.00 N ATOM 865 CA ALA A 56 0.054 3.584 -9.983 1.00 0.00 C ATOM 866 C ALA A 56 -0.442 2.142 -9.971 1.00 0.00 C ATOM 867 O ALA A 56 -0.651 1.537 -11.024 1.00 0.00 O ATOM 868 CB ALA A 56 -0.904 4.467 -10.768 1.00 0.00 C ATOM 0 H ALA A 56 1.425 3.834 -11.550 1.00 0.00 H new ATOM 0 HA ALA A 56 0.093 3.936 -8.952 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.903 4.391 -10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.566 5.502 -10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.930 4.141 -11.808 1.00 0.00 H new ATOM 874 N LEU A 57 -0.628 1.595 -8.775 1.00 0.00 N ATOM 875 CA LEU A 57 -1.100 0.223 -8.626 1.00 0.00 C ATOM 876 C LEU A 57 -2.620 0.155 -8.728 1.00 0.00 C ATOM 877 O LEU A 57 -3.326 1.024 -8.216 1.00 0.00 O ATOM 878 CB LEU A 57 -0.641 -0.352 -7.284 1.00 0.00 C ATOM 879 CG LEU A 57 0.717 0.132 -6.776 1.00 0.00 C ATOM 880 CD1 LEU A 57 1.105 -0.606 -5.504 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.783 -0.052 -7.847 1.00 0.00 C ATOM 0 H LEU A 57 -0.459 2.081 -7.894 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.674 -0.371 -9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.394 -0.113 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.609 -1.438 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 57 0.640 1.195 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.074 -0.248 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.355 -0.424 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.164 -1.675 -5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.743 0.298 -7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.858 -1.108 -8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.512 0.522 -8.733 1.00 0.00 H new ATOM 893 N ALA A 58 -3.118 -0.883 -9.391 1.00 0.00 N ATOM 894 CA ALA A 58 -4.554 -1.067 -9.557 1.00 0.00 C ATOM 895 C ALA A 58 -5.072 -2.187 -8.660 1.00 0.00 C ATOM 896 O ALA A 58 -4.465 -3.254 -8.571 1.00 0.00 O ATOM 897 CB ALA A 58 -4.885 -1.358 -11.013 1.00 0.00 C ATOM 0 H ALA A 58 -2.547 -1.610 -9.822 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.050 -0.142 -9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.961 -1.493 -11.121 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.560 -0.523 -11.634 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.372 -2.266 -11.328 1.00 0.00 H new ATOM 903 N ASP A 59 -6.196 -1.936 -7.998 1.00 0.00 N ATOM 904 CA ASP A 59 -6.795 -2.924 -7.108 1.00 0.00 C ATOM 905 C ASP A 59 -7.126 -4.207 -7.864 1.00 0.00 C ATOM 906 O ASP A 59 -7.522 -4.168 -9.029 1.00 0.00 O ATOM 907 CB ASP A 59 -8.060 -2.358 -6.460 1.00 0.00 C ATOM 908 CG ASP A 59 -8.971 -1.681 -7.465 1.00 0.00 C ATOM 909 OD1 ASP A 59 -9.231 -2.281 -8.529 1.00 0.00 O ATOM 910 OD2 ASP A 59 -9.424 -0.550 -7.188 1.00 0.00 O ATOM 0 H ASP A 59 -6.711 -1.058 -8.061 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.071 -3.160 -6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.603 -3.163 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.780 -1.642 -5.687 1.00 0.00 H new ATOM 915 N GLY A 60 -6.961 -5.343 -7.194 1.00 0.00 N ATOM 916 CA GLY A 60 -7.246 -6.621 -7.819 1.00 0.00 C ATOM 917 C GLY A 60 -5.987 -7.353 -8.241 1.00 0.00 C ATOM 918 O GLY A 60 -5.896 -8.574 -8.111 1.00 0.00 O ATOM 0 H GLY A 60 -6.635 -5.401 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.809 -7.244 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.880 -6.462 -8.691 1.00 0.00 H new ATOM 922 N LYS A 61 -5.014 -6.607 -8.751 1.00 0.00 N ATOM 923 CA LYS A 61 -3.754 -7.191 -9.195 1.00 0.00 C ATOM 924 C LYS A 61 -2.901 -7.615 -8.004 1.00 0.00 C ATOM 925 O LYS A 61 -3.294 -7.434 -6.852 1.00 0.00 O ATOM 926 CB LYS A 61 -2.981 -6.192 -10.059 1.00 0.00 C ATOM 927 CG LYS A 61 -3.657 -5.882 -11.384 1.00 0.00 C ATOM 928 CD LYS A 61 -2.651 -5.439 -12.433 1.00 0.00 C ATOM 929 CE LYS A 61 -3.308 -4.590 -13.511 1.00 0.00 C ATOM 930 NZ LYS A 61 -2.316 -4.084 -14.499 1.00 0.00 N ATOM 0 H LYS A 61 -5.074 -5.595 -8.867 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.982 -8.076 -9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.853 -5.265 -9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.984 -6.588 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.188 -6.766 -11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.402 -5.099 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.853 -4.870 -11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.189 -6.315 -12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.066 -5.180 -14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.821 -3.747 -13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.803 -3.510 -15.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.607 -3.500 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.844 -4.888 -14.960 1.00 0.00 H new ATOM 944 N ARG A 62 -1.732 -8.179 -8.290 1.00 0.00 N ATOM 945 CA ARG A 62 -0.824 -8.629 -7.242 1.00 0.00 C ATOM 946 C ARG A 62 0.468 -7.816 -7.256 1.00 0.00 C ATOM 947 O ARG A 62 0.991 -7.481 -8.319 1.00 0.00 O ATOM 948 CB ARG A 62 -0.506 -10.115 -7.416 1.00 0.00 C ATOM 949 CG ARG A 62 -1.733 -11.011 -7.362 1.00 0.00 C ATOM 950 CD ARG A 62 -1.496 -12.325 -8.089 1.00 0.00 C ATOM 951 NE ARG A 62 -2.659 -13.205 -8.022 1.00 0.00 N ATOM 952 CZ ARG A 62 -3.069 -13.798 -6.906 1.00 0.00 C ATOM 953 NH1 ARG A 62 -2.414 -13.604 -5.770 1.00 0.00 N ATOM 954 NH2 ARG A 62 -4.137 -14.585 -6.925 1.00 0.00 N ATOM 0 H ARG A 62 -1.392 -8.335 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.316 -8.480 -6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.002 -10.261 -8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.192 -10.422 -6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.993 -11.211 -6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.582 -10.494 -7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.254 -12.123 -9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.634 -12.830 -7.653 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.186 -13.374 -8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.593 -12.998 -5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.731 -14.060 -4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.644 -14.735 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.451 -15.040 -6.068 1.00 0.00 H new ATOM 968 N LEU A 63 0.976 -7.502 -6.069 1.00 0.00 N ATOM 969 CA LEU A 63 2.206 -6.728 -5.945 1.00 0.00 C ATOM 970 C LEU A 63 3.362 -7.426 -6.655 1.00 0.00 C ATOM 971 O LEU A 63 4.216 -6.776 -7.259 1.00 0.00 O ATOM 972 CB LEU A 63 2.552 -6.517 -4.470 1.00 0.00 C ATOM 973 CG LEU A 63 1.878 -5.326 -3.787 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.308 -5.233 -2.331 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.202 -4.035 -4.524 1.00 0.00 C ATOM 0 H LEU A 63 0.555 -7.771 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 63 2.046 -5.759 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.288 -7.422 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.632 -6.396 -4.384 1.00 0.00 H new ATOM 0 HG LEU A 63 0.799 -5.477 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.819 -4.380 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.025 -6.147 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.389 -5.105 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.714 -3.198 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.281 -3.878 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.844 -4.103 -5.551 1.00 0.00 H new ATOM 987 N SER A 64 3.383 -8.753 -6.579 1.00 0.00 N ATOM 988 CA SER A 64 4.435 -9.538 -7.213 1.00 0.00 C ATOM 989 C SER A 64 4.440 -9.321 -8.724 1.00 0.00 C ATOM 990 O SER A 64 5.422 -9.621 -9.402 1.00 0.00 O ATOM 991 CB SER A 64 4.249 -11.024 -6.901 1.00 0.00 C ATOM 992 OG SER A 64 5.351 -11.785 -7.366 1.00 0.00 O ATOM 0 H SER A 64 2.683 -9.307 -6.085 1.00 0.00 H new ATOM 0 HA SER A 64 5.393 -9.206 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.136 -11.162 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.332 -11.385 -7.367 1.00 0.00 H new ATOM 0 HG SER A 64 5.208 -12.731 -7.153 1.00 0.00 H new ATOM 998 N ASP A 65 3.334 -8.798 -9.243 1.00 0.00 N ATOM 999 CA ASP A 65 3.210 -8.540 -10.673 1.00 0.00 C ATOM 1000 C ASP A 65 3.868 -7.214 -11.044 1.00 0.00 C ATOM 1001 O ASP A 65 4.318 -7.028 -12.175 1.00 0.00 O ATOM 1002 CB ASP A 65 1.737 -8.525 -11.084 1.00 0.00 C ATOM 1003 CG ASP A 65 1.556 -8.446 -12.587 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.316 -9.122 -13.313 1.00 0.00 O ATOM 1005 OD2 ASP A 65 0.654 -7.710 -13.038 1.00 0.00 O ATOM 0 H ASP A 65 2.512 -8.545 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 65 3.720 -9.341 -11.208 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.249 -9.425 -10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.241 -7.675 -10.616 1.00 0.00 H new ATOM 1010 N TYR A 66 3.918 -6.296 -10.086 1.00 0.00 N ATOM 1011 CA TYR A 66 4.518 -4.986 -10.313 1.00 0.00 C ATOM 1012 C TYR A 66 6.030 -5.037 -10.115 1.00 0.00 C ATOM 1013 O TYR A 66 6.727 -4.042 -10.313 1.00 0.00 O ATOM 1014 CB TYR A 66 3.903 -3.950 -9.370 1.00 0.00 C ATOM 1015 CG TYR A 66 2.513 -3.513 -9.774 1.00 0.00 C ATOM 1016 CD1 TYR A 66 1.398 -4.263 -9.421 1.00 0.00 C ATOM 1017 CD2 TYR A 66 2.315 -2.351 -10.510 1.00 0.00 C ATOM 1018 CE1 TYR A 66 0.126 -3.868 -9.788 1.00 0.00 C ATOM 1019 CE2 TYR A 66 1.047 -1.948 -10.880 1.00 0.00 C ATOM 1020 CZ TYR A 66 -0.044 -2.709 -10.517 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.309 -2.312 -10.885 1.00 0.00 O ATOM 0 H TYR A 66 3.550 -6.434 -9.145 1.00 0.00 H new ATOM 0 HA TYR A 66 4.315 -4.695 -11.344 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.866 -4.365 -8.363 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.553 -3.076 -9.331 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.528 -5.170 -8.850 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.167 -1.753 -10.797 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.730 -4.463 -9.506 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.911 -1.041 -11.451 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.255 -1.475 -11.393 1.00 0.00 H new ATOM 1031 N SER A 67 6.530 -6.205 -9.724 1.00 0.00 N ATOM 1032 CA SER A 67 7.958 -6.387 -9.496 1.00 0.00 C ATOM 1033 C SER A 67 8.396 -5.692 -8.210 1.00 0.00 C ATOM 1034 O SER A 67 9.464 -5.081 -8.154 1.00 0.00 O ATOM 1035 CB SER A 67 8.759 -5.843 -10.681 1.00 0.00 C ATOM 1036 OG SER A 67 10.056 -6.412 -10.725 1.00 0.00 O ATOM 0 H SER A 67 5.967 -7.039 -9.559 1.00 0.00 H new ATOM 0 HA SER A 67 8.151 -7.455 -9.395 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.232 -6.060 -11.610 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.837 -4.759 -10.604 1.00 0.00 H new ATOM 0 HG SER A 67 10.526 -6.220 -9.887 1.00 0.00 H new ATOM 1042 N ILE A 68 7.563 -5.790 -7.179 1.00 0.00 N ATOM 1043 CA ILE A 68 7.863 -5.172 -5.894 1.00 0.00 C ATOM 1044 C ILE A 68 8.119 -6.228 -4.823 1.00 0.00 C ATOM 1045 O ILE A 68 7.193 -6.884 -4.350 1.00 0.00 O ATOM 1046 CB ILE A 68 6.718 -4.253 -5.429 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.487 -3.135 -6.448 1.00 0.00 C ATOM 1048 CG2 ILE A 68 7.029 -3.671 -4.058 1.00 0.00 C ATOM 1049 CD1 ILE A 68 5.149 -2.446 -6.296 1.00 0.00 C ATOM 0 H ILE A 68 6.675 -6.292 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 68 8.763 -4.574 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 68 5.806 -4.844 -5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.281 -2.395 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.561 -3.550 -7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.210 -3.024 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.149 -4.480 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.951 -3.091 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.054 -1.665 -7.051 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.348 -3.174 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.079 -2.001 -5.303 1.00 0.00 H new ATOM 1061 N GLY A 69 9.384 -6.384 -4.444 1.00 0.00 N ATOM 1062 CA GLY A 69 9.739 -7.360 -3.430 1.00 0.00 C ATOM 1063 C GLY A 69 9.617 -6.806 -2.024 1.00 0.00 C ATOM 1064 O GLY A 69 8.903 -5.834 -1.777 1.00 0.00 O ATOM 0 H GLY A 69 10.169 -5.852 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.095 -8.234 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.762 -7.697 -3.597 1.00 0.00 H new ATOM 1068 N PRO A 70 10.325 -7.433 -1.073 1.00 0.00 N ATOM 1069 CA PRO A 70 10.308 -7.016 0.332 1.00 0.00 C ATOM 1070 C PRO A 70 11.014 -5.682 0.548 1.00 0.00 C ATOM 1071 O PRO A 70 11.503 -5.067 -0.398 1.00 0.00 O ATOM 1072 CB PRO A 70 11.060 -8.141 1.046 1.00 0.00 C ATOM 1073 CG PRO A 70 11.946 -8.727 0.001 1.00 0.00 C ATOM 1074 CD PRO A 70 11.197 -8.599 -1.296 1.00 0.00 C ATOM 0 HA PRO A 70 9.293 -6.864 0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.639 -7.759 1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.372 -8.886 1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.898 -8.199 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.171 -9.771 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.873 -8.440 -2.136 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.619 -9.497 -1.517 1.00 0.00 H new ATOM 1082 N ASN A 71 11.064 -5.240 1.801 1.00 0.00 N ATOM 1083 CA ASN A 71 11.711 -3.978 2.141 1.00 0.00 C ATOM 1084 C ASN A 71 11.387 -2.904 1.108 1.00 0.00 C ATOM 1085 O ASN A 71 12.247 -2.106 0.735 1.00 0.00 O ATOM 1086 CB ASN A 71 13.226 -4.168 2.238 1.00 0.00 C ATOM 1087 CG ASN A 71 13.638 -4.903 3.499 1.00 0.00 C ATOM 1088 OD1 ASN A 71 13.858 -6.114 3.481 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.743 -4.172 4.602 1.00 0.00 N ATOM 0 H ASN A 71 10.664 -5.737 2.597 1.00 0.00 H new ATOM 0 HA ASN A 71 11.329 -3.652 3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.576 -4.722 1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.714 -3.194 2.213 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.016 -4.612 5.481 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.551 -3.171 4.570 1.00 0.00 H new ATOM 1096 N SER A 72 10.139 -2.890 0.648 1.00 0.00 N ATOM 1097 CA SER A 72 9.701 -1.916 -0.345 1.00 0.00 C ATOM 1098 C SER A 72 8.955 -0.763 0.318 1.00 0.00 C ATOM 1099 O SER A 72 8.137 -0.970 1.215 1.00 0.00 O ATOM 1100 CB SER A 72 8.805 -2.588 -1.387 1.00 0.00 C ATOM 1101 OG SER A 72 9.575 -3.168 -2.425 1.00 0.00 O ATOM 0 H SER A 72 9.414 -3.542 0.947 1.00 0.00 H new ATOM 0 HA SER A 72 10.585 -1.515 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.198 -3.356 -0.908 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.117 -1.854 -1.807 1.00 0.00 H new ATOM 0 HG SER A 72 9.489 -4.144 -2.390 1.00 0.00 H new ATOM 1107 N LYS A 73 9.241 0.455 -0.131 1.00 0.00 N ATOM 1108 CA LYS A 73 8.598 1.643 0.416 1.00 0.00 C ATOM 1109 C LYS A 73 7.536 2.176 -0.541 1.00 0.00 C ATOM 1110 O LYS A 73 7.840 2.554 -1.673 1.00 0.00 O ATOM 1111 CB LYS A 73 9.639 2.729 0.695 1.00 0.00 C ATOM 1112 CG LYS A 73 9.260 3.656 1.837 1.00 0.00 C ATOM 1113 CD LYS A 73 10.293 4.753 2.031 1.00 0.00 C ATOM 1114 CE LYS A 73 9.678 5.994 2.660 1.00 0.00 C ATOM 1115 NZ LYS A 73 10.620 7.147 2.650 1.00 0.00 N ATOM 0 H LYS A 73 9.915 0.645 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 73 8.113 1.365 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.593 2.255 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.786 3.321 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.286 4.103 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.162 3.080 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.101 4.386 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.735 5.012 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.770 6.263 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.385 5.773 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.106 8.017 2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.376 6.984 3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.037 7.247 1.702 1.00 0.00 H new ATOM 1129 N LEU A 74 6.291 2.204 -0.079 1.00 0.00 N ATOM 1130 CA LEU A 74 5.183 2.692 -0.894 1.00 0.00 C ATOM 1131 C LEU A 74 4.741 4.078 -0.437 1.00 0.00 C ATOM 1132 O LEU A 74 4.864 4.424 0.737 1.00 0.00 O ATOM 1133 CB LEU A 74 4.005 1.719 -0.823 1.00 0.00 C ATOM 1134 CG LEU A 74 4.099 0.484 -1.720 1.00 0.00 C ATOM 1135 CD1 LEU A 74 3.342 -0.682 -1.103 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.565 0.793 -3.111 1.00 0.00 C ATOM 0 H LEU A 74 6.023 1.895 0.855 1.00 0.00 H new ATOM 0 HA LEU A 74 5.526 2.762 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.896 1.386 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.095 2.262 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 74 5.148 0.203 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.420 -1.552 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.770 -0.919 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.293 -0.412 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.640 -0.097 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.522 1.100 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.151 1.598 -3.555 1.00 0.00 H new ATOM 1148 N ASN A 75 4.225 4.867 -1.374 1.00 0.00 N ATOM 1149 CA ASN A 75 3.763 6.216 -1.067 1.00 0.00 C ATOM 1150 C ASN A 75 2.245 6.250 -0.916 1.00 0.00 C ATOM 1151 O ASN A 75 1.521 5.582 -1.656 1.00 0.00 O ATOM 1152 CB ASN A 75 4.199 7.189 -2.165 1.00 0.00 C ATOM 1153 CG ASN A 75 4.423 8.593 -1.637 1.00 0.00 C ATOM 1154 OD1 ASN A 75 3.471 9.321 -1.355 1.00 0.00 O ATOM 1155 ND2 ASN A 75 5.686 8.979 -1.503 1.00 0.00 N ATOM 0 H ASN A 75 4.116 4.596 -2.351 1.00 0.00 H new ATOM 0 HA ASN A 75 4.212 6.520 -0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.118 6.826 -2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.440 7.214 -2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.899 9.913 -1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.443 8.341 -1.749 1.00 0.00 H new ATOM 1162 N LEU A 76 1.769 7.032 0.046 1.00 0.00 N ATOM 1163 CA LEU A 76 0.337 7.155 0.295 1.00 0.00 C ATOM 1164 C LEU A 76 -0.156 8.559 -0.039 1.00 0.00 C ATOM 1165 O LEU A 76 0.297 9.543 0.547 1.00 0.00 O ATOM 1166 CB LEU A 76 0.023 6.825 1.755 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.446 6.552 2.081 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.874 5.201 1.528 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.680 6.614 3.583 1.00 0.00 C ATOM 0 H LEU A 76 2.354 7.591 0.667 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.181 6.446 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.607 5.950 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.364 7.654 2.375 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.052 7.324 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.922 5.024 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.745 5.193 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.262 4.416 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.731 6.417 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.063 5.865 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.414 7.605 3.952 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.088 8.645 -0.983 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.646 9.929 -1.392 1.00 0.00 C ATOM 1183 C VAL A 77 -3.134 10.010 -1.070 1.00 0.00 C ATOM 1184 O VAL A 77 -3.873 9.043 -1.253 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.444 10.173 -2.899 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.569 11.654 -3.222 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.096 9.632 -3.351 1.00 0.00 C ATOM 0 H VAL A 77 -1.473 7.841 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.114 10.698 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.224 9.640 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.423 11.807 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.560 12.006 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.813 12.212 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.029 9.813 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.700 10.134 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.051 8.560 -3.157 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.567 11.171 -0.588 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.967 11.379 -0.241 1.00 0.00 C ATOM 1199 C VAL A 78 -5.704 12.119 -1.352 1.00 0.00 C ATOM 1200 O VAL A 78 -5.514 13.320 -1.545 1.00 0.00 O ATOM 1201 CB VAL A 78 -5.108 12.174 1.071 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -6.574 12.437 1.382 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -4.437 11.432 2.217 1.00 0.00 C ATOM 0 H VAL A 78 -2.968 11.981 -0.429 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.410 10.392 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.609 13.135 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.653 13.000 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.021 13.012 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.100 11.488 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.546 12.007 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.906 10.456 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.378 11.300 1.995 1.00 0.00 H new