USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -167:sc= 0 (180deg=-0.12) USER MOD Single : A 48 THR OG1 : rot -74:sc= 0.861 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -134:sc= -0.2 (180deg=-2.24!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.596 K(o=-0.6,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 167:sc= -1.15 (180deg=-1.52) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.615 K(o=0.62,f=-0.095) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.0657 X(o=0.066,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 71 GLN : amide:sc= 0.59 K(o=0.59,f=-4.3!) USER MOD Single : A 72 HIS : no HD1:sc= -0.108 K(o=-0.11,f=-2.4!) USER MOD Single : A 73 MET CE :methyl -175:sc= -0.0028 (180deg=-0.0423) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -18:sc= 0.519 USER MOD Single : A 88 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.5!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00237 USER MOD Single : A 91 SER OG : rot -140:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -147:sc= -2.43! (180deg=-3.33) USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.18) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 11.644 7.317 5.776 1.00 0.00 N ATOM 69 CA VAL A 27 13.106 7.358 5.531 1.00 0.00 C ATOM 70 C VAL A 27 13.504 8.548 4.644 1.00 0.00 C ATOM 71 O VAL A 27 12.638 9.253 4.133 1.00 0.00 O ATOM 72 CB VAL A 27 13.605 6.017 4.944 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.386 4.863 5.930 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.939 5.656 3.610 1.00 0.00 C ATOM 0 HA VAL A 27 13.597 7.504 6.493 1.00 0.00 H new ATOM 0 HB VAL A 27 14.670 6.160 4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.747 3.934 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.933 5.063 6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.323 4.771 6.152 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.333 4.705 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.862 5.572 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.149 6.434 2.876 1.00 0.00 H new ATOM 84 N ARG A 28 14.804 8.817 4.463 1.00 0.00 N ATOM 85 CA ARG A 28 15.318 9.915 3.612 1.00 0.00 C ATOM 86 C ARG A 28 15.766 9.403 2.221 1.00 0.00 C ATOM 87 O ARG A 28 16.461 8.386 2.165 1.00 0.00 O ATOM 88 CB ARG A 28 16.433 10.637 4.393 1.00 0.00 C ATOM 89 CG ARG A 28 17.000 11.880 3.682 1.00 0.00 C ATOM 90 CD ARG A 28 17.797 12.818 4.599 1.00 0.00 C ATOM 91 NE ARG A 28 18.813 12.113 5.407 1.00 0.00 N ATOM 92 CZ ARG A 28 18.743 11.787 6.688 1.00 0.00 C ATOM 93 NH1 ARG A 28 17.680 11.997 7.417 1.00 0.00 N ATOM 94 NH2 ARG A 28 19.761 11.222 7.272 1.00 0.00 N ATOM 0 H ARG A 28 15.544 8.274 4.907 1.00 0.00 H new ATOM 0 HA ARG A 28 14.527 10.632 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.044 10.935 5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.246 9.935 4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.644 11.556 2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.176 12.438 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.288 13.579 3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.108 13.337 5.265 1.00 0.00 H new ATOM 0 HE ARG A 28 19.669 11.846 4.921 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.855 12.430 7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.675 11.728 8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.611 11.031 6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.708 10.971 8.259 1.00 0.00 H new ATOM 108 N PRO A 29 15.400 10.078 1.106 1.00 0.00 N ATOM 109 CA PRO A 29 15.856 9.725 -0.245 1.00 0.00 C ATOM 110 C PRO A 29 17.339 10.055 -0.474 1.00 0.00 C ATOM 111 O PRO A 29 17.985 10.717 0.343 1.00 0.00 O ATOM 112 CB PRO A 29 14.937 10.510 -1.193 1.00 0.00 C ATOM 113 CG PRO A 29 14.607 11.767 -0.396 1.00 0.00 C ATOM 114 CD PRO A 29 14.493 11.220 1.026 1.00 0.00 C ATOM 0 HA PRO A 29 15.793 8.650 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.436 10.748 -2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.039 9.945 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.389 12.521 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.679 12.230 -0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.763 11.982 1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.469 10.918 1.244 1.00 0.00 H new ATOM 122 N LYS A 30 17.882 9.602 -1.613 1.00 0.00 N ATOM 123 CA LYS A 30 19.268 9.848 -2.021 1.00 0.00 C ATOM 124 C LYS A 30 19.523 11.352 -2.202 1.00 0.00 C ATOM 125 O LYS A 30 18.642 12.086 -2.650 1.00 0.00 O ATOM 126 CB LYS A 30 19.510 9.050 -3.315 1.00 0.00 C ATOM 127 CG LYS A 30 20.984 8.810 -3.664 1.00 0.00 C ATOM 128 CD LYS A 30 21.416 7.335 -3.589 1.00 0.00 C ATOM 129 CE LYS A 30 21.354 6.778 -2.157 1.00 0.00 C ATOM 130 NZ LYS A 30 21.838 5.370 -2.095 1.00 0.00 N ATOM 0 H LYS A 30 17.358 9.044 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 30 19.969 9.518 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.012 8.085 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.038 9.578 -4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.173 9.182 -4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.606 9.395 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.774 6.738 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.432 7.237 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.958 7.401 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.329 6.827 -1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.782 5.027 -1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.245 4.772 -2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.825 5.327 -2.421 1.00 0.00 H new ATOM 144 N LEU A 31 20.737 11.813 -1.901 1.00 0.00 N ATOM 145 CA LEU A 31 21.092 13.244 -1.896 1.00 0.00 C ATOM 146 C LEU A 31 20.800 13.977 -3.224 1.00 0.00 C ATOM 147 O LEU A 31 20.113 14.998 -3.173 1.00 0.00 O ATOM 148 CB LEU A 31 22.555 13.432 -1.438 1.00 0.00 C ATOM 149 CG LEU A 31 22.856 12.997 0.012 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.338 13.223 0.314 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.036 13.771 1.048 1.00 0.00 C ATOM 0 H LEU A 31 21.514 11.202 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 31 20.431 13.722 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.203 12.870 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.819 14.484 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 31 22.587 11.943 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.552 12.916 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.944 12.634 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.577 14.280 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.291 13.421 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.259 14.835 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.974 13.608 0.866 1.00 0.00 H new ATOM 163 N PRO A 32 21.199 13.484 -4.418 1.00 0.00 N ATOM 164 CA PRO A 32 20.872 14.161 -5.678 1.00 0.00 C ATOM 165 C PRO A 32 19.365 14.195 -5.994 1.00 0.00 C ATOM 166 O PRO A 32 18.930 15.069 -6.741 1.00 0.00 O ATOM 167 CB PRO A 32 21.675 13.430 -6.763 1.00 0.00 C ATOM 168 CG PRO A 32 21.901 12.043 -6.167 1.00 0.00 C ATOM 169 CD PRO A 32 22.079 12.352 -4.685 1.00 0.00 C ATOM 0 HA PRO A 32 21.140 15.216 -5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.125 13.378 -7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.618 13.935 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.054 11.381 -6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.780 11.557 -6.590 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.812 11.493 -4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.116 12.598 -4.457 1.00 0.00 H new ATOM 177 N LEU A 33 18.551 13.302 -5.407 1.00 0.00 N ATOM 178 CA LEU A 33 17.084 13.392 -5.466 1.00 0.00 C ATOM 179 C LEU A 33 16.594 14.493 -4.509 1.00 0.00 C ATOM 180 O LEU A 33 15.831 15.363 -4.914 1.00 0.00 O ATOM 181 CB LEU A 33 16.464 12.003 -5.184 1.00 0.00 C ATOM 182 CG LEU A 33 15.046 11.793 -5.758 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.641 10.326 -5.675 1.00 0.00 C ATOM 184 CD2 LEU A 33 13.964 12.574 -5.017 1.00 0.00 C ATOM 0 H LEU A 33 18.892 12.499 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 33 16.755 13.680 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.123 11.238 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.430 11.849 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 33 15.109 12.148 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.639 10.201 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.345 9.721 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.650 10.005 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.995 12.378 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.941 12.263 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.182 13.640 -5.073 1.00 0.00 H new ATOM 196 N LEU A 34 17.097 14.533 -3.270 1.00 0.00 N ATOM 197 CA LEU A 34 16.716 15.534 -2.261 1.00 0.00 C ATOM 198 C LEU A 34 16.947 16.985 -2.725 1.00 0.00 C ATOM 199 O LEU A 34 16.120 17.861 -2.468 1.00 0.00 O ATOM 200 CB LEU A 34 17.448 15.200 -0.946 1.00 0.00 C ATOM 201 CG LEU A 34 17.063 16.067 0.270 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.553 16.237 0.436 1.00 0.00 C ATOM 203 CD2 LEU A 34 17.561 15.423 1.562 1.00 0.00 C ATOM 0 H LEU A 34 17.789 13.864 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 34 15.640 15.479 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.257 14.155 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.521 15.297 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 34 17.522 17.038 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.350 16.857 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.141 16.716 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.089 15.260 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.281 16.047 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.112 14.436 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.646 15.325 1.525 1.00 0.00 H new ATOM 215 N LYS A 35 17.999 17.233 -3.513 1.00 0.00 N ATOM 216 CA LYS A 35 18.258 18.565 -4.101 1.00 0.00 C ATOM 217 C LYS A 35 17.170 19.016 -5.093 1.00 0.00 C ATOM 218 O LYS A 35 16.973 20.217 -5.263 1.00 0.00 O ATOM 219 CB LYS A 35 19.664 18.642 -4.727 1.00 0.00 C ATOM 220 CG LYS A 35 20.769 19.012 -3.722 1.00 0.00 C ATOM 221 CD LYS A 35 21.187 17.842 -2.820 1.00 0.00 C ATOM 222 CE LYS A 35 22.150 18.228 -1.691 1.00 0.00 C ATOM 223 NZ LYS A 35 23.445 18.780 -2.184 1.00 0.00 N ATOM 0 H LYS A 35 18.692 16.528 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 35 18.219 19.273 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.904 17.680 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.654 19.378 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.642 19.370 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.422 19.836 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.293 17.398 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.656 17.074 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.669 18.966 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.348 17.350 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.051 19.021 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.923 18.070 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.266 19.635 -2.748 1.00 0.00 H new ATOM 237 N ILE A 36 16.400 18.093 -5.678 1.00 0.00 N ATOM 238 CA ILE A 36 15.217 18.409 -6.502 1.00 0.00 C ATOM 239 C ILE A 36 14.080 18.952 -5.620 1.00 0.00 C ATOM 240 O ILE A 36 13.422 19.924 -5.986 1.00 0.00 O ATOM 241 CB ILE A 36 14.747 17.177 -7.315 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.898 16.549 -8.134 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.598 17.588 -8.254 1.00 0.00 C ATOM 244 CD1 ILE A 36 15.556 15.187 -8.744 1.00 0.00 C ATOM 0 H ILE A 36 16.578 17.092 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 36 15.501 19.182 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 36 14.400 16.423 -6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.177 17.234 -8.934 1.00 0.00 H new ATOM 0 HG13 ILE A 36 16.771 16.439 -7.490 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.268 16.721 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.766 17.972 -7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.946 18.362 -8.938 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.414 14.813 -9.303 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.306 14.485 -7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.704 15.293 -9.415 1.00 0.00 H new ATOM 256 N LEU A 37 13.881 18.387 -4.422 1.00 0.00 N ATOM 257 CA LEU A 37 12.893 18.885 -3.457 1.00 0.00 C ATOM 258 C LEU A 37 13.323 20.240 -2.866 1.00 0.00 C ATOM 259 O LEU A 37 12.480 21.120 -2.686 1.00 0.00 O ATOM 260 CB LEU A 37 12.623 17.849 -2.349 1.00 0.00 C ATOM 261 CG LEU A 37 11.914 16.565 -2.822 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.864 15.501 -3.366 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.201 15.907 -1.648 1.00 0.00 C ATOM 0 H LEU A 37 14.400 17.572 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 37 11.958 19.043 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.572 17.574 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.017 18.317 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 37 11.240 16.890 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.292 14.628 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.409 15.902 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.571 15.212 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.701 15.000 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.928 15.654 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.462 16.596 -1.238 1.00 0.00 H new ATOM 275 N HIS A 38 14.630 20.453 -2.654 1.00 0.00 N ATOM 276 CA HIS A 38 15.168 21.779 -2.307 1.00 0.00 C ATOM 277 C HIS A 38 14.887 22.804 -3.420 1.00 0.00 C ATOM 278 O HIS A 38 14.365 23.886 -3.146 1.00 0.00 O ATOM 279 CB HIS A 38 16.673 21.699 -1.999 1.00 0.00 C ATOM 280 CG HIS A 38 17.071 20.827 -0.827 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.363 20.337 -0.606 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.279 20.457 0.225 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.318 19.687 0.569 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.079 19.740 1.089 1.00 0.00 N ATOM 0 H HIS A 38 15.338 19.721 -2.717 1.00 0.00 H new ATOM 0 HA HIS A 38 14.657 22.119 -1.406 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.185 21.332 -2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 38 17.039 22.709 -1.814 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.231 20.683 0.354 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.159 19.191 1.031 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.782 19.322 1.971 1.00 0.00 H new ATOM 292 N ALA A 39 15.135 22.444 -4.686 1.00 0.00 N ATOM 293 CA ALA A 39 14.825 23.281 -5.851 1.00 0.00 C ATOM 294 C ALA A 39 13.318 23.550 -6.039 1.00 0.00 C ATOM 295 O ALA A 39 12.945 24.575 -6.614 1.00 0.00 O ATOM 296 CB ALA A 39 15.400 22.609 -7.100 1.00 0.00 C ATOM 0 H ALA A 39 15.562 21.551 -4.932 1.00 0.00 H new ATOM 0 HA ALA A 39 15.281 24.257 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.178 23.219 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.480 22.506 -6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.952 21.623 -7.222 1.00 0.00 H new ATOM 302 N ALA A 40 12.449 22.671 -5.524 1.00 0.00 N ATOM 303 CA ALA A 40 11.001 22.884 -5.481 1.00 0.00 C ATOM 304 C ALA A 40 10.566 23.961 -4.453 1.00 0.00 C ATOM 305 O ALA A 40 9.387 24.318 -4.402 1.00 0.00 O ATOM 306 CB ALA A 40 10.298 21.543 -5.215 1.00 0.00 C ATOM 0 H ALA A 40 12.738 21.780 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 40 10.698 23.274 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.220 21.698 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.540 20.841 -6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.636 21.138 -4.261 1.00 0.00 H new ATOM 312 N GLY A 41 11.498 24.481 -3.638 1.00 0.00 N ATOM 313 CA GLY A 41 11.258 25.542 -2.651 1.00 0.00 C ATOM 314 C GLY A 41 10.889 25.050 -1.243 1.00 0.00 C ATOM 315 O GLY A 41 10.352 25.831 -0.453 1.00 0.00 O ATOM 0 H GLY A 41 12.467 24.164 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.153 26.160 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.456 26.183 -3.017 1.00 0.00 H new ATOM 319 N ALA A 42 11.157 23.778 -0.922 1.00 0.00 N ATOM 320 CA ALA A 42 10.850 23.152 0.370 1.00 0.00 C ATOM 321 C ALA A 42 12.105 22.601 1.078 1.00 0.00 C ATOM 322 O ALA A 42 13.061 22.166 0.432 1.00 0.00 O ATOM 323 CB ALA A 42 9.802 22.056 0.134 1.00 0.00 C ATOM 0 H ALA A 42 11.607 23.136 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 42 10.451 23.909 1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.558 21.576 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.901 22.499 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.201 21.313 -0.557 1.00 0.00 H new ATOM 329 N GLN A 43 12.094 22.584 2.417 1.00 0.00 N ATOM 330 CA GLN A 43 13.110 21.894 3.229 1.00 0.00 C ATOM 331 C GLN A 43 12.915 20.363 3.200 1.00 0.00 C ATOM 332 O GLN A 43 11.895 19.871 2.708 1.00 0.00 O ATOM 333 CB GLN A 43 13.108 22.459 4.664 1.00 0.00 C ATOM 334 CG GLN A 43 11.825 22.164 5.464 1.00 0.00 C ATOM 335 CD GLN A 43 11.942 22.631 6.915 1.00 0.00 C ATOM 336 OE1 GLN A 43 11.554 23.735 7.277 1.00 0.00 O ATOM 337 NE2 GLN A 43 12.490 21.823 7.802 1.00 0.00 N ATOM 0 H GLN A 43 11.377 23.051 2.972 1.00 0.00 H new ATOM 0 HA GLN A 43 14.093 22.082 2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.961 22.048 5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.251 23.538 4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.978 22.660 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.621 21.094 5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.818 20.900 7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.585 22.121 8.773 1.00 0.00 H new ATOM 346 N GLY A 44 13.868 19.592 3.743 1.00 0.00 N ATOM 347 CA GLY A 44 13.765 18.129 3.718 1.00 0.00 C ATOM 348 C GLY A 44 14.751 17.339 4.573 1.00 0.00 C ATOM 349 O GLY A 44 15.958 17.562 4.503 1.00 0.00 O ATOM 0 H GLY A 44 14.707 19.952 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.757 17.857 4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.878 17.801 2.685 1.00 0.00 H new ATOM 353 N GLU A 45 14.220 16.361 5.319 1.00 0.00 N ATOM 354 CA GLU A 45 14.997 15.391 6.114 1.00 0.00 C ATOM 355 C GLU A 45 14.446 13.944 6.091 1.00 0.00 C ATOM 356 O GLU A 45 15.155 13.038 6.521 1.00 0.00 O ATOM 357 CB GLU A 45 15.086 15.880 7.575 1.00 0.00 C ATOM 358 CG GLU A 45 15.933 17.148 7.745 1.00 0.00 C ATOM 359 CD GLU A 45 16.117 17.491 9.236 1.00 0.00 C ATOM 360 OE1 GLU A 45 15.258 18.201 9.814 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.129 17.061 9.845 1.00 0.00 O ATOM 0 H GLU A 45 13.213 16.216 5.390 1.00 0.00 H new ATOM 0 HA GLU A 45 15.980 15.343 5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.080 16.072 7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.508 15.086 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.907 17.005 7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.453 17.982 7.232 1.00 0.00 H new ATOM 368 N MET A 46 13.213 13.707 5.617 1.00 0.00 N ATOM 369 CA MET A 46 12.503 12.404 5.614 1.00 0.00 C ATOM 370 C MET A 46 11.197 12.475 4.788 1.00 0.00 C ATOM 371 O MET A 46 10.428 13.425 4.950 1.00 0.00 O ATOM 372 CB MET A 46 12.159 12.007 7.067 1.00 0.00 C ATOM 373 CG MET A 46 13.055 10.876 7.589 1.00 0.00 C ATOM 374 SD MET A 46 13.123 10.730 9.396 1.00 0.00 S ATOM 375 CE MET A 46 14.150 12.178 9.785 1.00 0.00 C ATOM 0 H MET A 46 12.650 14.451 5.204 1.00 0.00 H new ATOM 0 HA MET A 46 13.158 11.661 5.159 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.263 12.878 7.714 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.116 11.695 7.119 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.701 9.931 7.175 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.066 11.030 7.213 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.486 12.118 10.820 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.016 12.199 9.123 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.565 13.087 9.646 1.00 0.00 H new ATOM 385 N PHE A 47 10.933 11.483 3.920 1.00 0.00 N ATOM 386 CA PHE A 47 9.810 11.478 2.961 1.00 0.00 C ATOM 387 C PHE A 47 9.346 10.066 2.520 1.00 0.00 C ATOM 388 O PHE A 47 10.147 9.144 2.363 1.00 0.00 O ATOM 389 CB PHE A 47 10.214 12.214 1.671 1.00 0.00 C ATOM 390 CG PHE A 47 10.761 13.623 1.788 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.124 13.825 2.071 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.932 14.731 1.537 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.659 15.122 2.086 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.465 16.030 1.546 1.00 0.00 C ATOM 395 CZ PHE A 47 11.834 16.219 1.787 1.00 0.00 C ATOM 0 H PHE A 47 11.507 10.642 3.863 1.00 0.00 H new ATOM 0 HA PHE A 47 8.993 11.963 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.964 11.607 1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.340 12.250 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.761 12.978 2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.881 14.582 1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.701 15.276 2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.823 16.880 1.368 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.256 17.212 1.742 1.00 0.00 H new ATOM 405 N THR A 48 8.046 9.923 2.250 1.00 0.00 N ATOM 406 CA THR A 48 7.391 8.768 1.587 1.00 0.00 C ATOM 407 C THR A 48 7.241 9.031 0.077 1.00 0.00 C ATOM 408 O THR A 48 7.434 10.167 -0.352 1.00 0.00 O ATOM 409 CB THR A 48 5.991 8.519 2.180 1.00 0.00 C ATOM 410 OG1 THR A 48 5.209 9.688 2.088 1.00 0.00 O ATOM 411 CG2 THR A 48 6.021 8.090 3.642 1.00 0.00 C ATOM 0 H THR A 48 7.373 10.648 2.499 1.00 0.00 H new ATOM 0 HA THR A 48 8.019 7.893 1.753 1.00 0.00 H new ATOM 0 HB THR A 48 5.562 7.705 1.596 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.508 10.335 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.002 7.932 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.586 7.163 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.496 8.868 4.240 1.00 0.00 H new ATOM 419 N VAL A 49 6.822 8.050 -0.747 1.00 0.00 N ATOM 420 CA VAL A 49 6.453 8.311 -2.167 1.00 0.00 C ATOM 421 C VAL A 49 5.435 9.455 -2.254 1.00 0.00 C ATOM 422 O VAL A 49 5.674 10.419 -2.975 1.00 0.00 O ATOM 423 CB VAL A 49 5.983 7.024 -2.912 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.731 7.139 -3.796 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.100 6.487 -3.818 1.00 0.00 C ATOM 0 H VAL A 49 6.729 7.075 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 49 7.353 8.630 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 49 5.725 6.362 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.518 6.172 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.882 7.447 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.904 7.879 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.754 5.589 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.366 7.244 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.974 6.246 -3.214 1.00 0.00 H new ATOM 435 N LYS A 50 4.366 9.432 -1.444 1.00 0.00 N ATOM 436 CA LYS A 50 3.313 10.461 -1.437 1.00 0.00 C ATOM 437 C LYS A 50 3.863 11.884 -1.268 1.00 0.00 C ATOM 438 O LYS A 50 3.387 12.813 -1.917 1.00 0.00 O ATOM 439 CB LYS A 50 2.330 10.090 -0.319 1.00 0.00 C ATOM 440 CG LYS A 50 1.081 10.978 -0.300 1.00 0.00 C ATOM 441 CD LYS A 50 0.092 10.406 0.719 1.00 0.00 C ATOM 442 CE LYS A 50 -1.172 11.274 0.792 1.00 0.00 C ATOM 443 NZ LYS A 50 -2.155 10.733 1.770 1.00 0.00 N ATOM 0 H LYS A 50 4.206 8.688 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 50 2.811 10.477 -2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.028 9.050 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.837 10.165 0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.348 12.001 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.626 11.013 -1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.176 9.387 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.562 10.355 1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.899 12.291 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.633 11.330 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.996 11.345 1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.434 9.772 1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.723 10.703 2.716 1.00 0.00 H new ATOM 457 N GLU A 51 4.894 12.042 -0.440 1.00 0.00 N ATOM 458 CA GLU A 51 5.593 13.314 -0.225 1.00 0.00 C ATOM 459 C GLU A 51 6.626 13.622 -1.332 1.00 0.00 C ATOM 460 O GLU A 51 6.672 14.749 -1.828 1.00 0.00 O ATOM 461 CB GLU A 51 6.245 13.299 1.166 1.00 0.00 C ATOM 462 CG GLU A 51 5.237 13.152 2.316 1.00 0.00 C ATOM 463 CD GLU A 51 5.956 12.796 3.627 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.408 11.631 3.754 1.00 0.00 O ATOM 465 OE2 GLU A 51 6.065 13.662 4.528 1.00 0.00 O ATOM 0 H GLU A 51 5.277 11.275 0.113 1.00 0.00 H new ATOM 0 HA GLU A 51 4.860 14.119 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.960 12.478 1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.809 14.222 1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.682 14.082 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.510 12.377 2.072 1.00 0.00 H new ATOM 472 N VAL A 52 7.425 12.642 -1.777 1.00 0.00 N ATOM 473 CA VAL A 52 8.452 12.840 -2.822 1.00 0.00 C ATOM 474 C VAL A 52 7.829 13.220 -4.164 1.00 0.00 C ATOM 475 O VAL A 52 8.261 14.194 -4.778 1.00 0.00 O ATOM 476 CB VAL A 52 9.380 11.612 -2.980 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.356 11.749 -4.157 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.251 11.425 -1.734 1.00 0.00 C ATOM 0 H VAL A 52 7.381 11.686 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 52 9.069 13.673 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 52 8.710 10.769 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.981 10.858 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.794 11.862 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.987 12.625 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.895 10.556 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.866 12.313 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.613 11.273 -0.863 1.00 0.00 H new ATOM 488 N MET A 53 6.803 12.501 -4.626 1.00 0.00 N ATOM 489 CA MET A 53 6.222 12.733 -5.960 1.00 0.00 C ATOM 490 C MET A 53 5.411 14.018 -6.024 1.00 0.00 C ATOM 491 O MET A 53 5.309 14.644 -7.072 1.00 0.00 O ATOM 492 CB MET A 53 5.363 11.556 -6.433 1.00 0.00 C ATOM 493 CG MET A 53 5.855 10.151 -6.085 1.00 0.00 C ATOM 494 SD MET A 53 7.631 9.771 -5.942 1.00 0.00 S ATOM 495 CE MET A 53 8.245 10.492 -7.476 1.00 0.00 C ATOM 0 H MET A 53 6.354 11.752 -4.099 1.00 0.00 H new ATOM 0 HA MET A 53 7.073 12.831 -6.634 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.363 11.677 -6.016 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.266 11.622 -7.517 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.396 9.882 -5.134 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.447 9.477 -6.838 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.922 9.790 -7.963 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.406 10.706 -8.138 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.779 11.416 -7.255 1.00 0.00 H new ATOM 505 N HIS A 54 4.902 14.430 -4.872 1.00 0.00 N ATOM 506 CA HIS A 54 4.282 15.749 -4.680 1.00 0.00 C ATOM 507 C HIS A 54 5.291 16.873 -4.964 1.00 0.00 C ATOM 508 O HIS A 54 5.049 17.706 -5.838 1.00 0.00 O ATOM 509 CB HIS A 54 3.673 15.864 -3.275 1.00 0.00 C ATOM 510 CG HIS A 54 3.217 17.263 -2.934 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.049 17.876 -3.398 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.905 18.150 -2.157 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.060 19.120 -2.885 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.162 19.310 -2.137 1.00 0.00 N ATOM 0 H HIS A 54 4.904 13.856 -4.029 1.00 0.00 H new ATOM 0 HA HIS A 54 3.468 15.858 -5.396 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.825 15.184 -3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.410 15.540 -2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.846 17.977 -1.657 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.292 19.861 -3.050 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.406 20.167 -1.640 1.00 0.00 H new ATOM 522 N TYR A 55 6.457 16.866 -4.305 1.00 0.00 N ATOM 523 CA TYR A 55 7.489 17.891 -4.519 1.00 0.00 C ATOM 524 C TYR A 55 8.217 17.760 -5.871 1.00 0.00 C ATOM 525 O TYR A 55 8.548 18.781 -6.473 1.00 0.00 O ATOM 526 CB TYR A 55 8.470 17.905 -3.340 1.00 0.00 C ATOM 527 CG TYR A 55 7.879 18.443 -2.046 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.441 19.782 -1.977 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.769 17.615 -0.912 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.876 20.284 -0.788 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.209 18.113 0.280 1.00 0.00 C ATOM 532 CZ TYR A 55 6.759 19.449 0.346 1.00 0.00 C ATOM 533 OH TYR A 55 6.213 19.921 1.503 1.00 0.00 O ATOM 0 H TYR A 55 6.711 16.158 -3.616 1.00 0.00 H new ATOM 0 HA TYR A 55 6.979 18.853 -4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.829 16.890 -3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.337 18.509 -3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.539 20.425 -2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.116 16.593 -0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.532 21.307 -0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.124 17.472 1.145 1.00 0.00 H new ATOM 0 HH TYR A 55 6.211 19.210 2.178 1.00 0.00 H new ATOM 543 N LEU A 56 8.411 16.549 -6.410 1.00 0.00 N ATOM 544 CA LEU A 56 8.949 16.366 -7.770 1.00 0.00 C ATOM 545 C LEU A 56 7.951 16.799 -8.851 1.00 0.00 C ATOM 546 O LEU A 56 8.351 17.467 -9.797 1.00 0.00 O ATOM 547 CB LEU A 56 9.425 14.917 -7.997 1.00 0.00 C ATOM 548 CG LEU A 56 10.937 14.732 -7.792 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.392 15.086 -6.380 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.334 13.286 -8.080 1.00 0.00 C ATOM 0 H LEU A 56 8.203 15.676 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 56 9.817 17.020 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.890 14.256 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.163 14.611 -9.010 1.00 0.00 H new ATOM 0 HG LEU A 56 11.426 15.415 -8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.468 14.935 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.154 16.129 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.879 14.447 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.407 13.167 -7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.798 12.620 -7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.081 13.037 -9.111 1.00 0.00 H new ATOM 562 N GLY A 57 6.660 16.498 -8.697 1.00 0.00 N ATOM 563 CA GLY A 57 5.597 16.986 -9.582 1.00 0.00 C ATOM 564 C GLY A 57 5.486 18.511 -9.551 1.00 0.00 C ATOM 565 O GLY A 57 5.440 19.150 -10.598 1.00 0.00 O ATOM 0 H GLY A 57 6.318 15.901 -7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.794 16.657 -10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.645 16.546 -9.283 1.00 0.00 H new ATOM 569 N GLN A 58 5.565 19.111 -8.359 1.00 0.00 N ATOM 570 CA GLN A 58 5.650 20.562 -8.162 1.00 0.00 C ATOM 571 C GLN A 58 6.875 21.169 -8.871 1.00 0.00 C ATOM 572 O GLN A 58 6.740 22.156 -9.600 1.00 0.00 O ATOM 573 CB GLN A 58 5.659 20.828 -6.643 1.00 0.00 C ATOM 574 CG GLN A 58 5.858 22.283 -6.199 1.00 0.00 C ATOM 575 CD GLN A 58 4.722 23.200 -6.646 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.801 23.510 -5.902 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.732 23.655 -7.882 1.00 0.00 N ATOM 0 H GLN A 58 5.572 18.589 -7.483 1.00 0.00 H new ATOM 0 HA GLN A 58 4.788 21.052 -8.615 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.715 20.472 -6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.450 20.225 -6.197 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.941 22.318 -5.113 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.799 22.656 -6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.494 23.404 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.978 24.259 -8.209 1.00 0.00 H new ATOM 586 N TYR A 59 8.056 20.564 -8.716 1.00 0.00 N ATOM 587 CA TYR A 59 9.276 20.990 -9.408 1.00 0.00 C ATOM 588 C TYR A 59 9.100 20.893 -10.931 1.00 0.00 C ATOM 589 O TYR A 59 9.297 21.879 -11.635 1.00 0.00 O ATOM 590 CB TYR A 59 10.465 20.151 -8.905 1.00 0.00 C ATOM 591 CG TYR A 59 11.721 20.239 -9.747 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.901 19.328 -10.804 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.707 21.208 -9.480 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.035 19.410 -11.627 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.866 21.271 -10.283 1.00 0.00 C ATOM 596 CZ TYR A 59 14.029 20.377 -11.368 1.00 0.00 C ATOM 597 OH TYR A 59 15.129 20.452 -12.169 1.00 0.00 O ATOM 0 H TYR A 59 8.193 19.760 -8.103 1.00 0.00 H new ATOM 0 HA TYR A 59 9.479 22.037 -9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.706 20.464 -7.889 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.155 19.107 -8.852 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.162 18.561 -10.983 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.577 21.902 -8.662 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.147 18.732 -12.460 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.630 22.003 -10.069 1.00 0.00 H new ATOM 0 HH TYR A 59 15.715 21.172 -11.854 1.00 0.00 H new ATOM 607 N ILE A 60 8.620 19.755 -11.441 1.00 0.00 N ATOM 608 CA ILE A 60 8.343 19.523 -12.869 1.00 0.00 C ATOM 609 C ILE A 60 7.344 20.555 -13.414 1.00 0.00 C ATOM 610 O ILE A 60 7.541 21.056 -14.519 1.00 0.00 O ATOM 611 CB ILE A 60 7.893 18.051 -13.064 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.125 17.119 -12.945 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.189 17.805 -14.411 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.778 15.632 -12.796 1.00 0.00 C ATOM 0 H ILE A 60 8.406 18.945 -10.859 1.00 0.00 H new ATOM 0 HA ILE A 60 9.249 19.667 -13.458 1.00 0.00 H new ATOM 0 HB ILE A 60 7.164 17.833 -12.283 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.750 17.248 -13.829 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.720 17.429 -12.086 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.900 16.757 -14.484 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.300 18.432 -14.477 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.868 18.052 -15.227 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.696 15.050 -12.719 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.180 15.486 -11.897 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.211 15.302 -13.666 1.00 0.00 H new ATOM 626 N MET A 61 6.334 20.953 -12.637 1.00 0.00 N ATOM 627 CA MET A 61 5.382 22.010 -13.008 1.00 0.00 C ATOM 628 C MET A 61 6.016 23.411 -13.038 1.00 0.00 C ATOM 629 O MET A 61 5.696 24.197 -13.929 1.00 0.00 O ATOM 630 CB MET A 61 4.178 21.992 -12.045 1.00 0.00 C ATOM 631 CG MET A 61 3.276 20.756 -12.192 1.00 0.00 C ATOM 632 SD MET A 61 1.799 20.959 -13.232 1.00 0.00 S ATOM 633 CE MET A 61 2.548 21.238 -14.856 1.00 0.00 C ATOM 0 H MET A 61 6.149 20.547 -11.720 1.00 0.00 H new ATOM 0 HA MET A 61 5.051 21.796 -14.024 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.545 22.041 -11.020 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.579 22.887 -12.212 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.874 19.942 -12.602 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.955 20.446 -11.198 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.784 21.150 -15.629 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.984 22.236 -14.889 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.327 20.496 -15.030 1.00 0.00 H new ATOM 643 N VAL A 62 6.934 23.729 -12.115 1.00 0.00 N ATOM 644 CA VAL A 62 7.611 25.047 -12.032 1.00 0.00 C ATOM 645 C VAL A 62 8.728 25.197 -13.063 1.00 0.00 C ATOM 646 O VAL A 62 8.978 26.295 -13.563 1.00 0.00 O ATOM 647 CB VAL A 62 8.129 25.293 -10.610 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.961 26.565 -10.424 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.944 25.406 -9.657 1.00 0.00 C ATOM 0 H VAL A 62 7.237 23.076 -11.392 1.00 0.00 H new ATOM 0 HA VAL A 62 6.869 25.809 -12.270 1.00 0.00 H new ATOM 0 HB VAL A 62 8.781 24.444 -10.404 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.278 26.644 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.839 26.523 -11.068 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.359 27.435 -10.687 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.307 25.581 -8.644 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.309 26.237 -9.963 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.368 24.481 -9.681 1.00 0.00 H new ATOM 659 N LYS A 63 9.373 24.079 -13.398 1.00 0.00 N ATOM 660 CA LYS A 63 10.435 23.991 -14.417 1.00 0.00 C ATOM 661 C LYS A 63 9.903 23.634 -15.816 1.00 0.00 C ATOM 662 O LYS A 63 10.623 23.804 -16.799 1.00 0.00 O ATOM 663 CB LYS A 63 11.545 23.023 -13.953 1.00 0.00 C ATOM 664 CG LYS A 63 12.186 23.297 -12.579 1.00 0.00 C ATOM 665 CD LYS A 63 12.442 24.774 -12.253 1.00 0.00 C ATOM 666 CE LYS A 63 13.269 24.881 -10.962 1.00 0.00 C ATOM 667 NZ LYS A 63 13.604 26.293 -10.625 1.00 0.00 N ATOM 0 H LYS A 63 9.170 23.181 -12.959 1.00 0.00 H new ATOM 0 HA LYS A 63 10.867 24.986 -14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.130 22.015 -13.938 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.336 23.031 -14.703 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.541 22.879 -11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.134 22.762 -12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.972 25.252 -13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.495 25.300 -12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.713 24.435 -10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.189 24.307 -11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.162 26.318 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.157 26.713 -11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.727 26.836 -10.493 1.00 0.00 H new ATOM 681 N GLN A 64 8.655 23.157 -15.908 1.00 0.00 N ATOM 682 CA GLN A 64 8.012 22.624 -17.114 1.00 0.00 C ATOM 683 C GLN A 64 8.831 21.503 -17.794 1.00 0.00 C ATOM 684 O GLN A 64 9.256 21.622 -18.946 1.00 0.00 O ATOM 685 CB GLN A 64 7.552 23.724 -18.097 1.00 0.00 C ATOM 686 CG GLN A 64 6.580 24.766 -17.517 1.00 0.00 C ATOM 687 CD GLN A 64 7.276 25.907 -16.775 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.187 26.558 -17.269 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.868 26.208 -15.563 1.00 0.00 N ATOM 0 H GLN A 64 8.034 23.132 -15.099 1.00 0.00 H new ATOM 0 HA GLN A 64 7.096 22.146 -16.767 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.434 24.244 -18.472 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.076 23.246 -18.953 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.981 25.183 -18.327 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.891 24.268 -16.835 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.110 25.677 -15.134 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.309 26.972 -15.051 1.00 0.00 H new ATOM 698 N LEU A 65 9.057 20.399 -17.066 1.00 0.00 N ATOM 699 CA LEU A 65 9.820 19.220 -17.528 1.00 0.00 C ATOM 700 C LEU A 65 8.932 18.096 -18.095 1.00 0.00 C ATOM 701 O LEU A 65 9.416 17.014 -18.432 1.00 0.00 O ATOM 702 CB LEU A 65 10.790 18.770 -16.416 1.00 0.00 C ATOM 703 CG LEU A 65 12.241 19.196 -16.705 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.410 20.704 -16.890 1.00 0.00 C ATOM 705 CD2 LEU A 65 13.130 18.769 -15.546 1.00 0.00 C ATOM 0 H LEU A 65 8.707 20.295 -16.114 1.00 0.00 H new ATOM 0 HA LEU A 65 10.421 19.510 -18.390 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.471 19.194 -15.464 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.745 17.686 -16.313 1.00 0.00 H new ATOM 0 HG LEU A 65 12.521 18.711 -17.640 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.457 20.931 -17.090 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.799 21.038 -17.729 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.094 21.220 -15.983 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.159 19.069 -15.747 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.786 19.246 -14.628 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.084 17.686 -15.432 1.00 0.00 H new ATOM 717 N TYR A 66 7.634 18.372 -18.215 1.00 0.00 N ATOM 718 CA TYR A 66 6.648 17.555 -18.916 1.00 0.00 C ATOM 719 C TYR A 66 6.549 17.971 -20.393 1.00 0.00 C ATOM 720 O TYR A 66 6.900 19.102 -20.745 1.00 0.00 O ATOM 721 CB TYR A 66 5.295 17.675 -18.197 1.00 0.00 C ATOM 722 CG TYR A 66 4.692 19.071 -18.253 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.026 20.038 -17.281 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.834 19.417 -19.314 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.519 21.349 -17.387 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.319 20.722 -19.417 1.00 0.00 C ATOM 727 CZ TYR A 66 3.661 21.694 -18.456 1.00 0.00 C ATOM 728 OH TYR A 66 3.152 22.954 -18.564 1.00 0.00 O ATOM 0 H TYR A 66 7.223 19.211 -17.806 1.00 0.00 H new ATOM 0 HA TYR A 66 6.958 16.510 -18.902 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.594 16.968 -18.641 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.421 17.385 -17.154 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.670 19.774 -16.456 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.569 18.676 -20.054 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.787 22.091 -16.650 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.661 20.979 -20.234 1.00 0.00 H new ATOM 0 HH TYR A 66 2.584 23.010 -19.360 1.00 0.00 H new ATOM 738 N ASP A 67 6.043 17.092 -21.264 1.00 0.00 N ATOM 739 CA ASP A 67 5.728 17.486 -22.644 1.00 0.00 C ATOM 740 C ASP A 67 4.321 18.105 -22.731 1.00 0.00 C ATOM 741 O ASP A 67 3.336 17.462 -22.364 1.00 0.00 O ATOM 742 CB ASP A 67 5.893 16.315 -23.628 1.00 0.00 C ATOM 743 CG ASP A 67 6.147 16.824 -25.053 1.00 0.00 C ATOM 744 OD1 ASP A 67 5.425 17.750 -25.485 1.00 0.00 O ATOM 745 OD2 ASP A 67 7.072 16.314 -25.730 1.00 0.00 O ATOM 0 H ASP A 67 5.844 16.116 -21.044 1.00 0.00 H new ATOM 0 HA ASP A 67 6.448 18.249 -22.940 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.723 15.683 -23.311 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.997 15.695 -23.614 1.00 0.00 H new ATOM 750 N GLN A 68 4.188 19.339 -23.236 1.00 0.00 N ATOM 751 CA GLN A 68 2.872 19.983 -23.378 1.00 0.00 C ATOM 752 C GLN A 68 1.964 19.269 -24.392 1.00 0.00 C ATOM 753 O GLN A 68 0.749 19.473 -24.382 1.00 0.00 O ATOM 754 CB GLN A 68 3.038 21.475 -23.740 1.00 0.00 C ATOM 755 CG GLN A 68 3.224 21.779 -25.248 1.00 0.00 C ATOM 756 CD GLN A 68 2.015 22.481 -25.874 1.00 0.00 C ATOM 757 OE1 GLN A 68 2.068 23.640 -26.267 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.881 21.819 -25.997 1.00 0.00 N ATOM 0 H GLN A 68 4.971 19.911 -23.552 1.00 0.00 H new ATOM 0 HA GLN A 68 2.374 19.905 -22.411 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.162 22.017 -23.383 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.899 21.869 -23.199 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.108 22.403 -25.380 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.410 20.846 -25.780 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.817 20.853 -25.676 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.068 22.273 -26.413 1.00 0.00 H new ATOM 767 N GLN A 69 2.532 18.498 -25.324 1.00 0.00 N ATOM 768 CA GLN A 69 1.779 17.832 -26.378 1.00 0.00 C ATOM 769 C GLN A 69 1.088 16.562 -25.846 1.00 0.00 C ATOM 770 O GLN A 69 0.067 16.115 -26.374 1.00 0.00 O ATOM 771 CB GLN A 69 2.743 17.453 -27.513 1.00 0.00 C ATOM 772 CG GLN A 69 3.609 18.600 -28.058 1.00 0.00 C ATOM 773 CD GLN A 69 2.838 19.732 -28.744 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.645 19.666 -29.015 1.00 0.00 O ATOM 775 NE2 GLN A 69 3.497 20.827 -29.062 1.00 0.00 N ATOM 0 H GLN A 69 3.536 18.320 -25.364 1.00 0.00 H new ATOM 0 HA GLN A 69 1.009 18.511 -26.744 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.402 16.661 -27.157 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.162 17.038 -28.336 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.185 19.022 -27.234 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.325 18.187 -28.769 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.491 20.905 -28.846 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.013 21.597 -29.524 1.00 0.00 H new ATOM 784 N GLU A 70 1.686 15.984 -24.801 1.00 0.00 N ATOM 785 CA GLU A 70 1.356 14.690 -24.195 1.00 0.00 C ATOM 786 C GLU A 70 1.915 14.596 -22.755 1.00 0.00 C ATOM 787 O GLU A 70 2.992 14.058 -22.493 1.00 0.00 O ATOM 788 CB GLU A 70 1.779 13.518 -25.112 1.00 0.00 C ATOM 789 CG GLU A 70 3.213 13.566 -25.706 1.00 0.00 C ATOM 790 CD GLU A 70 3.517 12.342 -26.719 1.00 0.00 C ATOM 791 OE1 GLU A 70 3.018 13.103 -27.588 1.00 0.00 O ATOM 792 OE2 GLU A 70 3.962 11.768 -25.694 1.00 0.00 O ATOM 0 H GLU A 70 2.465 16.437 -24.324 1.00 0.00 H new ATOM 0 HA GLU A 70 0.273 14.609 -24.100 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.678 12.592 -24.546 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.072 13.464 -25.940 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.351 14.510 -26.233 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.938 13.546 -24.893 1.00 0.00 H new ATOM 799 N GLN A 71 1.158 15.141 -21.794 1.00 0.00 N ATOM 800 CA GLN A 71 1.571 15.362 -20.401 1.00 0.00 C ATOM 801 C GLN A 71 1.954 14.088 -19.623 1.00 0.00 C ATOM 802 O GLN A 71 2.590 14.189 -18.571 1.00 0.00 O ATOM 803 CB GLN A 71 0.454 16.117 -19.656 1.00 0.00 C ATOM 804 CG GLN A 71 0.339 17.606 -20.031 1.00 0.00 C ATOM 805 CD GLN A 71 -0.347 17.937 -21.360 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.834 17.093 -22.103 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.424 19.204 -21.705 1.00 0.00 N ATOM 0 H GLN A 71 0.203 15.453 -21.972 1.00 0.00 H new ATOM 0 HA GLN A 71 2.487 15.951 -20.450 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.498 15.628 -19.860 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.630 16.037 -18.583 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.203 18.115 -19.234 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.344 18.028 -20.054 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.025 19.922 -21.101 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.883 19.468 -22.577 1.00 0.00 H new ATOM 816 N HIS A 72 1.618 12.895 -20.136 1.00 0.00 N ATOM 817 CA HIS A 72 2.092 11.631 -19.566 1.00 0.00 C ATOM 818 C HIS A 72 3.618 11.449 -19.685 1.00 0.00 C ATOM 819 O HIS A 72 4.182 10.726 -18.863 1.00 0.00 O ATOM 820 CB HIS A 72 1.315 10.443 -20.165 1.00 0.00 C ATOM 821 CG HIS A 72 1.559 10.188 -21.632 1.00 0.00 C ATOM 822 ND1 HIS A 72 2.743 9.690 -22.180 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.654 10.381 -22.635 1.00 0.00 C ATOM 824 CE1 HIS A 72 2.538 9.627 -23.506 1.00 0.00 C ATOM 825 NE2 HIS A 72 1.286 10.016 -23.804 1.00 0.00 N ATOM 0 H HIS A 72 1.015 12.782 -20.951 1.00 0.00 H new ATOM 0 HA HIS A 72 1.889 11.664 -18.496 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.574 9.542 -19.608 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.249 10.614 -20.015 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.357 10.747 -22.533 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.274 9.309 -24.230 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.874 10.037 -24.737 1.00 0.00 H new ATOM 833 N MET A 73 4.294 12.113 -20.635 1.00 0.00 N ATOM 834 CA MET A 73 5.759 12.124 -20.753 1.00 0.00 C ATOM 835 C MET A 73 6.422 13.171 -19.847 1.00 0.00 C ATOM 836 O MET A 73 6.000 14.328 -19.772 1.00 0.00 O ATOM 837 CB MET A 73 6.222 12.371 -22.200 1.00 0.00 C ATOM 838 CG MET A 73 6.376 11.101 -23.045 1.00 0.00 C ATOM 839 SD MET A 73 7.610 9.861 -22.569 1.00 0.00 S ATOM 840 CE MET A 73 9.130 10.835 -22.524 1.00 0.00 C ATOM 0 H MET A 73 3.829 12.667 -21.355 1.00 0.00 H new ATOM 0 HA MET A 73 6.073 11.131 -20.432 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.507 13.033 -22.689 1.00 0.00 H new ATOM 0 HB3 MET A 73 7.177 12.895 -22.178 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.406 10.605 -23.070 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.601 11.412 -24.065 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.978 10.178 -22.332 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.269 11.337 -23.482 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.062 11.580 -21.731 1.00 0.00 H new ATOM 850 N VAL A 74 7.546 12.765 -19.257 1.00 0.00 N ATOM 851 CA VAL A 74 8.515 13.578 -18.510 1.00 0.00 C ATOM 852 C VAL A 74 9.868 13.431 -19.222 1.00 0.00 C ATOM 853 O VAL A 74 10.254 12.315 -19.572 1.00 0.00 O ATOM 854 CB VAL A 74 8.568 13.117 -17.038 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.550 13.962 -16.216 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.193 13.207 -16.364 1.00 0.00 C ATOM 0 H VAL A 74 7.827 11.785 -19.289 1.00 0.00 H new ATOM 0 HA VAL A 74 8.231 14.630 -18.490 1.00 0.00 H new ATOM 0 HB VAL A 74 8.900 12.079 -17.062 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.560 13.608 -15.185 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.550 13.873 -16.640 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.238 15.006 -16.238 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.273 12.874 -15.329 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.843 14.239 -16.387 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.485 12.572 -16.896 1.00 0.00 H new ATOM 866 N TYR A 75 10.587 14.535 -19.466 1.00 0.00 N ATOM 867 CA TYR A 75 11.768 14.555 -20.351 1.00 0.00 C ATOM 868 C TYR A 75 13.099 15.017 -19.725 1.00 0.00 C ATOM 869 O TYR A 75 14.068 15.292 -20.430 1.00 0.00 O ATOM 870 CB TYR A 75 11.372 15.339 -21.616 1.00 0.00 C ATOM 871 CG TYR A 75 12.195 15.021 -22.847 1.00 0.00 C ATOM 872 CD1 TYR A 75 12.052 13.766 -23.467 1.00 0.00 C ATOM 873 CD2 TYR A 75 13.086 15.975 -23.377 1.00 0.00 C ATOM 874 CE1 TYR A 75 12.810 13.456 -24.614 1.00 0.00 C ATOM 875 CE2 TYR A 75 13.845 15.670 -24.524 1.00 0.00 C ATOM 876 CZ TYR A 75 13.709 14.407 -25.145 1.00 0.00 C ATOM 877 OH TYR A 75 14.438 14.100 -26.255 1.00 0.00 O ATOM 0 H TYR A 75 10.369 15.443 -19.056 1.00 0.00 H new ATOM 0 HA TYR A 75 12.020 13.522 -20.590 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.323 15.139 -21.836 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.456 16.405 -21.406 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.361 13.040 -23.064 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.187 16.941 -22.904 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.703 12.491 -25.087 1.00 0.00 H new ATOM 0 HE2 TYR A 75 14.530 16.400 -24.929 1.00 0.00 H new ATOM 0 HH TYR A 75 15.007 14.861 -26.493 1.00 0.00 H new ATOM 887 N CYS A 76 13.130 15.092 -18.392 1.00 0.00 N ATOM 888 CA CYS A 76 14.280 15.410 -17.515 1.00 0.00 C ATOM 889 C CYS A 76 15.265 16.514 -17.993 1.00 0.00 C ATOM 890 O CYS A 76 16.458 16.449 -17.687 1.00 0.00 O ATOM 891 CB CYS A 76 14.980 14.107 -17.078 1.00 0.00 C ATOM 892 SG CYS A 76 15.935 13.351 -18.430 1.00 0.00 S ATOM 0 H CYS A 76 12.287 14.919 -17.845 1.00 0.00 H new ATOM 0 HA CYS A 76 13.842 15.902 -16.647 1.00 0.00 H new ATOM 0 HB2 CYS A 76 15.644 14.317 -16.240 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.233 13.397 -16.722 1.00 0.00 H new ATOM 0 HG CYS A 76 15.535 13.836 -19.568 1.00 0.00 H new ATOM 898 N GLY A 77 14.800 17.526 -18.736 1.00 0.00 N ATOM 899 CA GLY A 77 15.655 18.529 -19.390 1.00 0.00 C ATOM 900 C GLY A 77 16.494 19.350 -18.402 1.00 0.00 C ATOM 901 O GLY A 77 15.958 20.182 -17.668 1.00 0.00 O ATOM 0 H GLY A 77 13.805 17.675 -18.903 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.321 18.026 -20.091 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.029 19.205 -19.973 1.00 0.00 H new ATOM 905 N GLY A 78 17.809 19.106 -18.373 1.00 0.00 N ATOM 906 CA GLY A 78 18.744 19.727 -17.424 1.00 0.00 C ATOM 907 C GLY A 78 18.569 19.286 -15.959 1.00 0.00 C ATOM 908 O GLY A 78 19.095 19.942 -15.058 1.00 0.00 O ATOM 0 H GLY A 78 18.263 18.460 -19.019 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.763 19.499 -17.738 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.629 20.810 -17.479 1.00 0.00 H new ATOM 912 N ASP A 79 17.822 18.207 -15.698 1.00 0.00 N ATOM 913 CA ASP A 79 17.529 17.719 -14.344 1.00 0.00 C ATOM 914 C ASP A 79 18.734 17.002 -13.709 1.00 0.00 C ATOM 915 O ASP A 79 19.568 16.388 -14.382 1.00 0.00 O ATOM 916 CB ASP A 79 16.318 16.769 -14.372 1.00 0.00 C ATOM 917 CG ASP A 79 15.495 16.708 -13.070 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.055 16.941 -11.975 1.00 0.00 O ATOM 919 OD2 ASP A 79 14.299 16.348 -13.163 1.00 0.00 O ATOM 0 H ASP A 79 17.398 17.640 -16.432 1.00 0.00 H new ATOM 0 HA ASP A 79 17.302 18.591 -13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.658 17.073 -15.185 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.671 15.765 -14.606 1.00 0.00 H new ATOM 924 N LEU A 80 18.753 16.990 -12.381 1.00 0.00 N ATOM 925 CA LEU A 80 19.656 16.196 -11.556 1.00 0.00 C ATOM 926 C LEU A 80 19.445 14.688 -11.777 1.00 0.00 C ATOM 927 O LEU A 80 20.405 13.922 -11.755 1.00 0.00 O ATOM 928 CB LEU A 80 19.359 16.562 -10.097 1.00 0.00 C ATOM 929 CG LEU A 80 19.800 17.983 -9.689 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.357 18.276 -8.258 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.319 18.166 -9.752 1.00 0.00 C ATOM 0 H LEU A 80 18.112 17.558 -11.826 1.00 0.00 H new ATOM 0 HA LEU A 80 20.692 16.411 -11.820 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.288 16.464 -9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.855 15.841 -9.447 1.00 0.00 H new ATOM 0 HG LEU A 80 19.333 18.667 -10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.672 19.281 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.271 18.205 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.810 17.552 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.576 19.183 -9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.799 17.459 -9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.665 17.987 -10.770 1.00 0.00 H new ATOM 943 N LEU A 81 18.207 14.263 -12.065 1.00 0.00 N ATOM 944 CA LEU A 81 17.891 12.885 -12.471 1.00 0.00 C ATOM 945 C LEU A 81 18.733 12.451 -13.692 1.00 0.00 C ATOM 946 O LEU A 81 19.361 11.389 -13.694 1.00 0.00 O ATOM 947 CB LEU A 81 16.385 12.777 -12.803 1.00 0.00 C ATOM 948 CG LEU A 81 15.401 13.072 -11.658 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.962 12.889 -12.140 1.00 0.00 C ATOM 950 CD2 LEU A 81 15.615 12.152 -10.454 1.00 0.00 C ATOM 0 H LEU A 81 17.389 14.871 -12.023 1.00 0.00 H new ATOM 0 HA LEU A 81 18.135 12.219 -11.643 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.168 13.462 -13.623 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.189 11.769 -13.169 1.00 0.00 H new ATOM 0 HG LEU A 81 15.584 14.102 -11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.274 13.100 -11.321 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.765 13.573 -12.965 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.819 11.863 -12.478 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.896 12.401 -9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.475 11.115 -10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.627 12.284 -10.071 1.00 0.00 H new ATOM 962 N GLY A 82 18.775 13.312 -14.715 1.00 0.00 N ATOM 963 CA GLY A 82 19.548 13.104 -15.940 1.00 0.00 C ATOM 964 C GLY A 82 21.056 13.245 -15.726 1.00 0.00 C ATOM 965 O GLY A 82 21.811 12.434 -16.254 1.00 0.00 O ATOM 0 H GLY A 82 18.260 14.192 -14.712 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.334 12.111 -16.334 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.225 13.822 -16.693 1.00 0.00 H new ATOM 969 N GLU A 83 21.523 14.193 -14.904 1.00 0.00 N ATOM 970 CA GLU A 83 22.963 14.330 -14.625 1.00 0.00 C ATOM 971 C GLU A 83 23.518 13.153 -13.792 1.00 0.00 C ATOM 972 O GLU A 83 24.690 12.795 -13.937 1.00 0.00 O ATOM 973 CB GLU A 83 23.272 15.724 -14.044 1.00 0.00 C ATOM 974 CG GLU A 83 23.339 15.849 -12.515 1.00 0.00 C ATOM 975 CD GLU A 83 24.742 15.562 -11.935 1.00 0.00 C ATOM 976 OE1 GLU A 83 25.715 16.269 -12.297 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.882 14.659 -11.074 1.00 0.00 O ATOM 0 H GLU A 83 20.933 14.872 -14.423 1.00 0.00 H new ATOM 0 HA GLU A 83 23.505 14.266 -15.568 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.227 16.056 -14.452 1.00 0.00 H new ATOM 0 HB3 GLU A 83 22.513 16.417 -14.406 1.00 0.00 H new ATOM 0 HG2 GLU A 83 23.034 16.855 -12.227 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.622 15.159 -12.070 1.00 0.00 H new ATOM 984 N LEU A 84 22.665 12.500 -12.988 1.00 0.00 N ATOM 985 CA LEU A 84 22.971 11.289 -12.239 1.00 0.00 C ATOM 986 C LEU A 84 22.990 10.037 -13.139 1.00 0.00 C ATOM 987 O LEU A 84 23.993 9.321 -13.161 1.00 0.00 O ATOM 988 CB LEU A 84 21.940 11.185 -11.098 1.00 0.00 C ATOM 989 CG LEU A 84 21.980 9.861 -10.326 1.00 0.00 C ATOM 990 CD1 LEU A 84 23.290 9.657 -9.565 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.821 9.807 -9.337 1.00 0.00 C ATOM 0 H LEU A 84 21.708 12.820 -12.842 1.00 0.00 H new ATOM 0 HA LEU A 84 23.977 11.345 -11.824 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.107 12.004 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.941 11.319 -11.514 1.00 0.00 H new ATOM 0 HG LEU A 84 21.899 9.063 -11.064 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.260 8.703 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 84 24.123 9.657 -10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.423 10.465 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.853 8.865 -8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.903 10.637 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.877 9.881 -9.878 1.00 0.00 H new ATOM 1003 N LEU A 85 21.894 9.752 -13.862 1.00 0.00 N ATOM 1004 CA LEU A 85 21.716 8.480 -14.585 1.00 0.00 C ATOM 1005 C LEU A 85 22.154 8.547 -16.065 1.00 0.00 C ATOM 1006 O LEU A 85 22.136 7.542 -16.774 1.00 0.00 O ATOM 1007 CB LEU A 85 20.237 8.045 -14.419 1.00 0.00 C ATOM 1008 CG LEU A 85 19.967 6.591 -13.980 1.00 0.00 C ATOM 1009 CD1 LEU A 85 20.542 5.541 -14.927 1.00 0.00 C ATOM 1010 CD2 LEU A 85 20.490 6.320 -12.568 1.00 0.00 C ATOM 0 H LEU A 85 21.108 10.394 -13.962 1.00 0.00 H new ATOM 0 HA LEU A 85 22.376 7.728 -14.152 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.771 8.708 -13.690 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.729 8.209 -15.370 1.00 0.00 H new ATOM 0 HG LEU A 85 18.881 6.497 -14.002 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.310 4.545 -14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 85 20.103 5.665 -15.917 1.00 0.00 H new ATOM 0 HD13 LEU A 85 21.623 5.662 -14.991 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.281 5.286 -12.295 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.566 6.493 -12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.996 6.988 -11.863 1.00 0.00 H new ATOM 1022 N GLY A 86 22.484 9.737 -16.574 1.00 0.00 N ATOM 1023 CA GLY A 86 22.715 10.029 -17.997 1.00 0.00 C ATOM 1024 C GLY A 86 21.416 10.239 -18.795 1.00 0.00 C ATOM 1025 O GLY A 86 21.420 10.947 -19.805 1.00 0.00 O ATOM 0 H GLY A 86 22.603 10.560 -15.983 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.333 10.923 -18.081 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.278 9.209 -18.442 1.00 0.00 H new ATOM 1029 N ARG A 87 20.300 9.650 -18.331 1.00 0.00 N ATOM 1030 CA ARG A 87 18.946 9.743 -18.909 1.00 0.00 C ATOM 1031 C ARG A 87 17.855 9.408 -17.880 1.00 0.00 C ATOM 1032 O ARG A 87 18.003 8.442 -17.142 1.00 0.00 O ATOM 1033 CB ARG A 87 18.848 8.812 -20.146 1.00 0.00 C ATOM 1034 CG ARG A 87 18.655 7.297 -19.903 1.00 0.00 C ATOM 1035 CD ARG A 87 19.699 6.586 -19.018 1.00 0.00 C ATOM 1036 NE ARG A 87 21.035 6.505 -19.646 1.00 0.00 N ATOM 1037 CZ ARG A 87 21.442 5.655 -20.575 1.00 0.00 C ATOM 1038 NH1 ARG A 87 20.652 4.762 -21.105 1.00 0.00 N ATOM 1039 NH2 ARG A 87 22.674 5.682 -20.996 1.00 0.00 N ATOM 0 H ARG A 87 20.319 9.064 -17.497 1.00 0.00 H new ATOM 0 HA ARG A 87 18.777 10.774 -19.218 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.017 9.160 -20.760 1.00 0.00 H new ATOM 0 HB3 ARG A 87 19.756 8.942 -20.734 1.00 0.00 H new ATOM 0 HG2 ARG A 87 17.674 7.150 -19.452 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.639 6.799 -20.872 1.00 0.00 H new ATOM 0 HD2 ARG A 87 19.782 7.115 -18.069 1.00 0.00 H new ATOM 0 HD3 ARG A 87 19.349 5.579 -18.792 1.00 0.00 H new ATOM 0 HE ARG A 87 21.725 7.185 -19.325 1.00 0.00 H new ATOM 0 HH11 ARG A 87 19.679 4.700 -20.806 1.00 0.00 H new ATOM 0 HH12 ARG A 87 21.007 4.126 -21.819 1.00 0.00 H new ATOM 0 HH21 ARG A 87 23.330 6.360 -20.609 1.00 0.00 H new ATOM 0 HH22 ARG A 87 22.983 5.025 -21.712 1.00 0.00 H new ATOM 1053 N GLN A 88 16.762 10.168 -17.838 1.00 0.00 N ATOM 1054 CA GLN A 88 15.536 9.837 -17.082 1.00 0.00 C ATOM 1055 C GLN A 88 14.288 10.395 -17.806 1.00 0.00 C ATOM 1056 O GLN A 88 13.449 11.072 -17.212 1.00 0.00 O ATOM 1057 CB GLN A 88 15.602 10.243 -15.586 1.00 0.00 C ATOM 1058 CG GLN A 88 16.450 9.302 -14.691 1.00 0.00 C ATOM 1059 CD GLN A 88 15.918 9.079 -13.265 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.783 9.367 -12.914 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.706 8.519 -12.367 1.00 0.00 N ATOM 0 H GLN A 88 16.694 11.054 -18.338 1.00 0.00 H new ATOM 0 HA GLN A 88 15.452 8.750 -17.062 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.009 11.252 -15.516 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.587 10.281 -15.190 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.528 8.334 -15.185 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.459 9.708 -14.623 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.661 8.262 -12.616 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.360 8.343 -11.424 1.00 0.00 H new ATOM 1070 N SER A 89 14.175 10.138 -19.114 1.00 0.00 N ATOM 1071 CA SER A 89 12.950 10.394 -19.895 1.00 0.00 C ATOM 1072 C SER A 89 12.042 9.159 -19.869 1.00 0.00 C ATOM 1073 O SER A 89 12.523 8.025 -19.963 1.00 0.00 O ATOM 1074 CB SER A 89 13.259 10.835 -21.328 1.00 0.00 C ATOM 1075 OG SER A 89 14.266 10.026 -21.924 1.00 0.00 O ATOM 0 H SER A 89 14.935 9.743 -19.669 1.00 0.00 H new ATOM 0 HA SER A 89 12.421 11.224 -19.427 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.350 10.785 -21.928 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.583 11.876 -21.326 1.00 0.00 H new ATOM 0 HG SER A 89 14.436 10.336 -22.838 1.00 0.00 H new ATOM 1081 N PHE A 90 10.732 9.363 -19.699 1.00 0.00 N ATOM 1082 CA PHE A 90 9.770 8.283 -19.423 1.00 0.00 C ATOM 1083 C PHE A 90 8.334 8.772 -19.473 1.00 0.00 C ATOM 1084 O PHE A 90 8.066 9.973 -19.428 1.00 0.00 O ATOM 1085 CB PHE A 90 10.014 7.697 -18.011 1.00 0.00 C ATOM 1086 CG PHE A 90 9.714 8.660 -16.870 1.00 0.00 C ATOM 1087 CD1 PHE A 90 8.411 8.771 -16.345 1.00 0.00 C ATOM 1088 CD2 PHE A 90 10.733 9.481 -16.359 1.00 0.00 C ATOM 1089 CE1 PHE A 90 8.127 9.723 -15.351 1.00 0.00 C ATOM 1090 CE2 PHE A 90 10.464 10.404 -15.334 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.157 10.531 -14.836 1.00 0.00 C ATOM 0 H PHE A 90 10.303 10.287 -19.749 1.00 0.00 H new ATOM 0 HA PHE A 90 9.921 7.528 -20.194 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.398 6.806 -17.889 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.054 7.379 -17.938 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.628 8.122 -16.708 1.00 0.00 H new ATOM 0 HD2 PHE A 90 11.733 9.402 -16.758 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.118 9.834 -14.982 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.259 11.013 -14.931 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.943 11.249 -14.058 1.00 0.00 H new ATOM 1101 N SER A 91 7.410 7.811 -19.483 1.00 0.00 N ATOM 1102 CA SER A 91 5.986 8.082 -19.383 1.00 0.00 C ATOM 1103 C SER A 91 5.322 7.408 -18.191 1.00 0.00 C ATOM 1104 O SER A 91 5.645 6.280 -17.817 1.00 0.00 O ATOM 1105 CB SER A 91 5.297 7.727 -20.685 1.00 0.00 C ATOM 1106 OG SER A 91 5.214 6.327 -20.888 1.00 0.00 O ATOM 0 H SER A 91 7.635 6.819 -19.561 1.00 0.00 H new ATOM 0 HA SER A 91 5.876 9.151 -19.204 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.293 8.152 -20.689 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.839 8.180 -21.515 1.00 0.00 H new ATOM 0 HG SER A 91 5.386 6.122 -21.831 1.00 0.00 H new ATOM 1112 N VAL A 92 4.354 8.100 -17.593 1.00 0.00 N ATOM 1113 CA VAL A 92 3.621 7.602 -16.417 1.00 0.00 C ATOM 1114 C VAL A 92 2.604 6.499 -16.747 1.00 0.00 C ATOM 1115 O VAL A 92 2.147 5.790 -15.850 1.00 0.00 O ATOM 1116 CB VAL A 92 2.975 8.751 -15.622 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.015 9.770 -15.148 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.930 9.496 -16.452 1.00 0.00 C ATOM 0 H VAL A 92 4.051 9.023 -17.906 1.00 0.00 H new ATOM 0 HA VAL A 92 4.370 7.132 -15.780 1.00 0.00 H new ATOM 0 HB VAL A 92 2.498 8.284 -14.760 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.518 10.565 -14.591 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.742 9.275 -14.504 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.526 10.197 -16.011 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.497 10.299 -15.856 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.403 9.917 -17.339 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.144 8.804 -16.754 1.00 0.00 H new ATOM 1128 N LYS A 93 2.303 6.304 -18.042 1.00 0.00 N ATOM 1129 CA LYS A 93 1.513 5.181 -18.585 1.00 0.00 C ATOM 1130 C LYS A 93 2.312 3.885 -18.808 1.00 0.00 C ATOM 1131 O LYS A 93 1.756 2.868 -19.220 1.00 0.00 O ATOM 1132 CB LYS A 93 0.719 5.649 -19.817 1.00 0.00 C ATOM 1133 CG LYS A 93 1.503 6.201 -21.024 1.00 0.00 C ATOM 1134 CD LYS A 93 2.261 5.129 -21.826 1.00 0.00 C ATOM 1135 CE LYS A 93 2.899 5.696 -23.104 1.00 0.00 C ATOM 1136 NZ LYS A 93 1.897 5.958 -24.178 1.00 0.00 N ATOM 0 H LYS A 93 2.614 6.948 -18.769 1.00 0.00 H new ATOM 0 HA LYS A 93 0.798 4.885 -17.817 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.120 4.808 -20.166 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.023 6.422 -19.490 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.809 6.714 -21.690 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.216 6.946 -20.670 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.038 4.691 -21.199 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.575 4.325 -22.092 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.421 6.623 -22.865 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.648 4.995 -23.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.379 6.339 -25.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.416 5.070 -24.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.196 6.647 -23.838 1.00 0.00 H new ATOM 1150 N ASP A 94 3.606 3.924 -18.501 1.00 0.00 N ATOM 1151 CA ASP A 94 4.541 2.795 -18.462 1.00 0.00 C ATOM 1152 C ASP A 94 5.262 2.752 -17.089 1.00 0.00 C ATOM 1153 O ASP A 94 6.403 3.205 -16.961 1.00 0.00 O ATOM 1154 CB ASP A 94 5.483 2.874 -19.677 1.00 0.00 C ATOM 1155 CG ASP A 94 6.239 1.560 -19.952 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.957 0.521 -19.307 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.090 1.549 -20.875 1.00 0.00 O ATOM 0 H ASP A 94 4.063 4.802 -18.256 1.00 0.00 H new ATOM 0 HA ASP A 94 4.015 1.844 -18.545 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.903 3.142 -20.560 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.206 3.673 -19.515 1.00 0.00 H new ATOM 1162 N PRO A 95 4.584 2.262 -16.027 1.00 0.00 N ATOM 1163 CA PRO A 95 5.093 2.242 -14.648 1.00 0.00 C ATOM 1164 C PRO A 95 6.426 1.517 -14.465 1.00 0.00 C ATOM 1165 O PRO A 95 7.287 1.978 -13.722 1.00 0.00 O ATOM 1166 CB PRO A 95 4.024 1.520 -13.820 1.00 0.00 C ATOM 1167 CG PRO A 95 2.745 1.764 -14.601 1.00 0.00 C ATOM 1168 CD PRO A 95 3.194 1.838 -16.053 1.00 0.00 C ATOM 0 HA PRO A 95 5.282 3.271 -14.341 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.240 0.456 -13.726 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.960 1.922 -12.809 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.027 0.959 -14.448 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.259 2.688 -14.288 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.092 0.869 -16.542 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.582 2.544 -16.614 1.00 0.00 H new ATOM 1176 N SER A 96 6.599 0.381 -15.138 1.00 0.00 N ATOM 1177 CA SER A 96 7.753 -0.520 -14.951 1.00 0.00 C ATOM 1178 C SER A 96 9.133 0.160 -15.074 1.00 0.00 C ATOM 1179 O SER A 96 9.911 0.075 -14.117 1.00 0.00 O ATOM 1180 CB SER A 96 7.671 -1.729 -15.891 1.00 0.00 C ATOM 1181 OG SER A 96 6.487 -2.472 -15.630 1.00 0.00 O ATOM 0 H SER A 96 5.937 0.049 -15.840 1.00 0.00 H new ATOM 0 HA SER A 96 7.679 -0.852 -13.915 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.678 -1.394 -16.928 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.546 -2.365 -15.755 1.00 0.00 H new ATOM 0 HG SER A 96 6.443 -3.241 -16.236 1.00 0.00 H new ATOM 1187 N PRO A 97 9.473 0.870 -16.173 1.00 0.00 N ATOM 1188 CA PRO A 97 10.742 1.595 -16.276 1.00 0.00 C ATOM 1189 C PRO A 97 10.860 2.766 -15.284 1.00 0.00 C ATOM 1190 O PRO A 97 11.961 3.067 -14.821 1.00 0.00 O ATOM 1191 CB PRO A 97 10.821 2.084 -17.729 1.00 0.00 C ATOM 1192 CG PRO A 97 9.359 2.155 -18.167 1.00 0.00 C ATOM 1193 CD PRO A 97 8.757 0.961 -17.437 1.00 0.00 C ATOM 0 HA PRO A 97 11.572 0.938 -16.015 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.307 3.057 -17.798 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.393 1.397 -18.352 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.889 3.093 -17.873 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.251 2.070 -19.248 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.689 1.101 -17.273 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.873 0.047 -18.019 1.00 0.00 H new ATOM 1201 N LEU A 98 9.746 3.410 -14.911 1.00 0.00 N ATOM 1202 CA LEU A 98 9.715 4.478 -13.919 1.00 0.00 C ATOM 1203 C LEU A 98 10.064 3.933 -12.523 1.00 0.00 C ATOM 1204 O LEU A 98 10.964 4.464 -11.869 1.00 0.00 O ATOM 1205 CB LEU A 98 8.352 5.182 -14.053 1.00 0.00 C ATOM 1206 CG LEU A 98 8.039 6.195 -12.950 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.088 7.302 -12.850 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.678 6.839 -13.215 1.00 0.00 C ATOM 0 H LEU A 98 8.828 3.195 -15.301 1.00 0.00 H new ATOM 0 HA LEU A 98 10.481 5.235 -14.087 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.316 5.692 -15.016 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.568 4.425 -14.064 1.00 0.00 H new ATOM 0 HG LEU A 98 8.038 5.646 -12.008 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.814 7.991 -12.051 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.061 6.862 -12.632 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.137 7.843 -13.795 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.457 7.560 -12.428 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.698 7.348 -14.179 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.907 6.068 -13.228 1.00 0.00 H new ATOM 1220 N TYR A 99 9.456 2.816 -12.111 1.00 0.00 N ATOM 1221 CA TYR A 99 9.824 2.093 -10.895 1.00 0.00 C ATOM 1222 C TYR A 99 11.294 1.648 -10.906 1.00 0.00 C ATOM 1223 O TYR A 99 11.958 1.788 -9.886 1.00 0.00 O ATOM 1224 CB TYR A 99 8.912 0.869 -10.708 1.00 0.00 C ATOM 1225 CG TYR A 99 7.421 1.111 -10.509 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.938 2.254 -9.834 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.510 0.129 -10.949 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.556 2.417 -9.617 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.128 0.285 -10.726 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.647 1.433 -10.059 1.00 0.00 C ATOM 1231 OH TYR A 99 3.313 1.595 -9.831 1.00 0.00 O ATOM 0 H TYR A 99 8.685 2.385 -12.621 1.00 0.00 H new ATOM 0 HA TYR A 99 9.693 2.781 -10.060 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.032 0.227 -11.580 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.277 0.309 -9.847 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.630 3.005 -9.483 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.875 -0.749 -11.461 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.191 3.298 -9.111 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.437 -0.473 -11.065 1.00 0.00 H new ATOM 0 HH TYR A 99 2.823 0.830 -10.199 1.00 0.00 H new ATOM 1241 N ASP A 100 11.835 1.172 -12.034 1.00 0.00 N ATOM 1242 CA ASP A 100 13.236 0.730 -12.131 1.00 0.00 C ATOM 1243 C ASP A 100 14.242 1.851 -11.808 1.00 0.00 C ATOM 1244 O ASP A 100 15.111 1.682 -10.951 1.00 0.00 O ATOM 1245 CB ASP A 100 13.506 0.173 -13.532 1.00 0.00 C ATOM 1246 CG ASP A 100 14.911 -0.443 -13.621 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.102 -1.596 -13.169 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.841 0.228 -14.130 1.00 0.00 O ATOM 0 H ASP A 100 11.315 1.081 -12.907 1.00 0.00 H new ATOM 0 HA ASP A 100 13.379 -0.049 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.759 -0.582 -13.777 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.408 0.970 -14.269 1.00 0.00 H new ATOM 1253 N MET A 101 14.092 3.014 -12.451 1.00 0.00 N ATOM 1254 CA MET A 101 14.927 4.197 -12.177 1.00 0.00 C ATOM 1255 C MET A 101 14.740 4.717 -10.746 1.00 0.00 C ATOM 1256 O MET A 101 15.711 5.038 -10.063 1.00 0.00 O ATOM 1257 CB MET A 101 14.549 5.348 -13.107 1.00 0.00 C ATOM 1258 CG MET A 101 14.782 5.103 -14.598 1.00 0.00 C ATOM 1259 SD MET A 101 14.249 6.507 -15.616 1.00 0.00 S ATOM 1260 CE MET A 101 12.490 6.563 -15.178 1.00 0.00 C ATOM 0 H MET A 101 13.390 3.165 -13.176 1.00 0.00 H new ATOM 0 HA MET A 101 15.958 3.878 -12.329 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.495 5.580 -12.957 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.115 6.231 -12.810 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.841 4.912 -14.772 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.242 4.208 -14.906 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.911 6.897 -16.039 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.157 5.569 -14.881 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.343 7.257 -14.351 1.00 0.00 H new ATOM 1270 N LEU A 102 13.489 4.803 -10.283 1.00 0.00 N ATOM 1271 CA LEU A 102 13.156 5.250 -8.934 1.00 0.00 C ATOM 1272 C LEU A 102 13.759 4.326 -7.878 1.00 0.00 C ATOM 1273 O LEU A 102 14.451 4.831 -7.011 1.00 0.00 O ATOM 1274 CB LEU A 102 11.634 5.414 -8.776 1.00 0.00 C ATOM 1275 CG LEU A 102 11.049 6.644 -9.503 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.530 6.632 -9.344 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.566 7.952 -8.900 1.00 0.00 C ATOM 0 H LEU A 102 12.672 4.561 -10.844 1.00 0.00 H new ATOM 0 HA LEU A 102 13.603 6.232 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.143 4.517 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.396 5.487 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 102 11.349 6.590 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.104 7.496 -9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.126 5.718 -9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.275 6.673 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.133 8.796 -9.437 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.281 8.006 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.652 7.987 -8.984 1.00 0.00 H new ATOM 1289 N ARG A 103 13.657 2.999 -7.979 1.00 0.00 N ATOM 1290 CA ARG A 103 14.301 2.045 -7.065 1.00 0.00 C ATOM 1291 C ARG A 103 15.829 2.220 -6.969 1.00 0.00 C ATOM 1292 O ARG A 103 16.427 1.891 -5.944 1.00 0.00 O ATOM 1293 CB ARG A 103 13.906 0.633 -7.534 1.00 0.00 C ATOM 1294 CG ARG A 103 13.986 -0.351 -6.375 1.00 0.00 C ATOM 1295 CD ARG A 103 13.764 -1.797 -6.823 1.00 0.00 C ATOM 1296 NE ARG A 103 13.737 -2.705 -5.658 1.00 0.00 N ATOM 1297 CZ ARG A 103 13.985 -4.004 -5.643 1.00 0.00 C ATOM 1298 NH1 ARG A 103 14.285 -4.669 -6.724 1.00 0.00 N ATOM 1299 NH2 ARG A 103 13.931 -4.670 -4.526 1.00 0.00 N ATOM 0 H ARG A 103 13.113 2.545 -8.713 1.00 0.00 H new ATOM 0 HA ARG A 103 13.952 2.227 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.894 0.647 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.567 0.312 -8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.962 -0.267 -5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.240 -0.087 -5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.825 -1.873 -7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.558 -2.097 -7.507 1.00 0.00 H new ATOM 0 HE ARG A 103 13.500 -2.281 -4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.335 -4.187 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.470 -5.671 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.697 -4.190 -3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.123 -5.672 -4.520 1.00 0.00 H new ATOM 1313 N LYS A 104 16.455 2.784 -8.012 1.00 0.00 N ATOM 1314 CA LYS A 104 17.886 3.134 -8.066 1.00 0.00 C ATOM 1315 C LYS A 104 18.217 4.514 -7.466 1.00 0.00 C ATOM 1316 O LYS A 104 19.379 4.736 -7.127 1.00 0.00 O ATOM 1317 CB LYS A 104 18.389 2.983 -9.517 1.00 0.00 C ATOM 1318 CG LYS A 104 18.384 1.505 -9.949 1.00 0.00 C ATOM 1319 CD LYS A 104 18.546 1.334 -11.464 1.00 0.00 C ATOM 1320 CE LYS A 104 18.482 -0.161 -11.801 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.418 -0.399 -13.267 1.00 0.00 N ATOM 0 H LYS A 104 15.963 3.018 -8.874 1.00 0.00 H new ATOM 0 HA LYS A 104 18.422 2.435 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.756 3.564 -10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.398 3.387 -9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.191 0.978 -9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.450 1.041 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.759 1.874 -11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.497 1.755 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.358 -0.663 -11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.608 -0.603 -11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.614 -1.401 -13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.469 -0.156 -13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.126 0.193 -13.746 1.00 0.00 H new ATOM 1335 N ASN A 105 17.238 5.418 -7.290 1.00 0.00 N ATOM 1336 CA ASN A 105 17.466 6.760 -6.699 1.00 0.00 C ATOM 1337 C ASN A 105 16.610 7.099 -5.442 1.00 0.00 C ATOM 1338 O ASN A 105 16.818 8.122 -4.794 1.00 0.00 O ATOM 1339 CB ASN A 105 17.330 7.785 -7.848 1.00 0.00 C ATOM 1340 CG ASN A 105 17.924 9.153 -7.537 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.855 9.312 -6.766 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.436 10.189 -8.183 1.00 0.00 N ATOM 0 H ASN A 105 16.267 5.246 -7.551 1.00 0.00 H new ATOM 0 HA ASN A 105 18.469 6.790 -6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.816 7.384 -8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.274 7.906 -8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.836 11.116 -8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.657 10.066 -8.830 1.00 0.00 H new ATOM 1349 N LEU A 106 15.661 6.239 -5.069 1.00 0.00 N ATOM 1350 CA LEU A 106 14.658 6.388 -4.006 1.00 0.00 C ATOM 1351 C LEU A 106 14.441 5.034 -3.304 1.00 0.00 C ATOM 1352 O LEU A 106 14.438 3.986 -3.950 1.00 0.00 O ATOM 1353 CB LEU A 106 13.348 6.891 -4.665 1.00 0.00 C ATOM 1354 CG LEU A 106 12.120 7.072 -3.754 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.347 8.134 -2.682 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.916 7.501 -4.592 1.00 0.00 C ATOM 0 H LEU A 106 15.564 5.341 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 106 14.988 7.102 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.557 7.848 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.080 6.192 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 106 11.943 6.114 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.453 8.225 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.192 7.845 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.559 9.092 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.049 7.628 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.138 8.444 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.702 6.737 -5.339 1.00 0.00 H new