USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 578 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 LYS NZ :NH3+ -172:sc=-0.00518 (180deg=-0.0903) USER MOD Single : A 10 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.15) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.437 X(o=-0.44,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.56! K(o=-1.6!,f=0) USER MOD Single : A 23 SER OG : rot 170:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 26 SER OG : rot 121:sc= 0.815 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.02 K(o=-1,f=-0.12) USER MOD Single : A 34 GLN : amide:sc= -0.554 K(o=-0.55,f=-1.8!) USER MOD Single : A 35 LYS NZ :NH3+ 136:sc= 1.19 (180deg=0.112) USER MOD Single : A 36 GLN : amide:sc= -3.08! K(o=-3.1!,f=-0.96) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00355 USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0211) USER MOD Single : A 54 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.6!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0299 K(o=-0.03,f=-3.2!) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 65 THR OG1 : rot 14:sc= 0.364 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 127:sc= 0.188 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 6 -13.436 -3.156 5.728 1.00 20.12 N ATOM 76 CA GLU A 6 -13.280 -4.049 4.572 1.00 4.12 C ATOM 77 C GLU A 6 -12.470 -3.383 3.451 1.00 42.44 C ATOM 78 O GLU A 6 -11.873 -4.087 2.620 1.00 42.21 O ATOM 79 CB GLU A 6 -14.652 -4.530 4.048 1.00 63.01 C ATOM 80 CG GLU A 6 -15.361 -5.548 4.965 1.00 23.23 C ATOM 81 CD GLU A 6 -15.706 -5.010 6.363 1.00 74.41 C ATOM 82 OE1 GLU A 6 -16.709 -4.278 6.491 1.00 11.02 O ATOM 83 OE2 GLU A 6 -14.961 -5.294 7.332 1.00 31.55 O ATOM 0 HA GLU A 6 -12.722 -4.923 4.910 1.00 4.12 H new ATOM 0 HB2 GLU A 6 -15.301 -3.664 3.916 1.00 63.01 H new ATOM 0 HB3 GLU A 6 -14.515 -4.979 3.064 1.00 63.01 H new ATOM 0 HG2 GLU A 6 -16.279 -5.878 4.479 1.00 23.23 H new ATOM 0 HG3 GLU A 6 -14.724 -6.426 5.074 1.00 23.23 H new ATOM 90 N GLU A 7 -12.475 -2.027 3.425 1.00 75.22 N ATOM 91 CA GLU A 7 -11.601 -1.232 2.538 1.00 12.11 C ATOM 92 C GLU A 7 -10.152 -1.616 2.796 1.00 13.52 C ATOM 93 O GLU A 7 -9.480 -2.078 1.897 1.00 23.15 O ATOM 94 CB GLU A 7 -11.760 0.289 2.771 1.00 24.12 C ATOM 95 CG GLU A 7 -13.163 0.862 2.537 1.00 52.43 C ATOM 96 CD GLU A 7 -13.179 2.375 2.788 1.00 31.20 C ATOM 97 OE1 GLU A 7 -13.265 3.162 1.816 1.00 20.55 O ATOM 98 OE2 GLU A 7 -13.035 2.783 3.956 1.00 32.22 O ATOM 0 H GLU A 7 -13.083 -1.460 4.016 1.00 75.22 H new ATOM 0 HA GLU A 7 -11.890 -1.447 1.509 1.00 12.11 H new ATOM 0 HB2 GLU A 7 -11.464 0.512 3.796 1.00 24.12 H new ATOM 0 HB3 GLU A 7 -11.062 0.812 2.117 1.00 24.12 H new ATOM 0 HG2 GLU A 7 -13.480 0.654 1.515 1.00 52.43 H new ATOM 0 HG3 GLU A 7 -13.877 0.371 3.198 1.00 52.43 H new ATOM 105 N LYS A 8 -9.750 -1.500 4.082 1.00 3.35 N ATOM 106 CA LYS A 8 -8.365 -1.721 4.544 1.00 62.34 C ATOM 107 C LYS A 8 -7.882 -3.120 4.135 1.00 13.05 C ATOM 108 O LYS A 8 -6.757 -3.271 3.664 1.00 72.13 O ATOM 109 CB LYS A 8 -8.240 -1.540 6.095 1.00 74.32 C ATOM 110 CG LYS A 8 -8.377 -0.081 6.613 1.00 74.14 C ATOM 111 CD LYS A 8 -9.783 0.526 6.424 1.00 51.55 C ATOM 112 CE LYS A 8 -9.911 1.954 6.976 1.00 73.41 C ATOM 113 NZ LYS A 8 -9.691 1.998 8.444 1.00 32.44 N ATOM 0 H LYS A 8 -10.388 -1.247 4.836 1.00 3.35 H new ATOM 0 HA LYS A 8 -7.734 -0.971 4.067 1.00 62.34 H new ATOM 0 HB2 LYS A 8 -9.003 -2.151 6.577 1.00 74.32 H new ATOM 0 HB3 LYS A 8 -7.273 -1.930 6.412 1.00 74.32 H new ATOM 0 HG2 LYS A 8 -8.123 -0.058 7.673 1.00 74.14 H new ATOM 0 HG3 LYS A 8 -7.650 0.546 6.097 1.00 74.14 H new ATOM 0 HD2 LYS A 8 -10.028 0.532 5.362 1.00 51.55 H new ATOM 0 HD3 LYS A 8 -10.516 -0.113 6.917 1.00 51.55 H new ATOM 0 HE2 LYS A 8 -9.188 2.602 6.480 1.00 73.41 H new ATOM 0 HE3 LYS A 8 -10.901 2.346 6.745 1.00 73.41 H new ATOM 0 HZ1 LYS A 8 -9.917 2.948 8.801 1.00 32.44 H new ATOM 0 HZ2 LYS A 8 -10.305 1.299 8.908 1.00 32.44 H new ATOM 0 HZ3 LYS A 8 -8.696 1.778 8.653 1.00 32.44 H new ATOM 127 N ARG A 9 -8.794 -4.115 4.271 1.00 62.24 N ATOM 128 CA ARG A 9 -8.550 -5.528 3.892 1.00 40.02 C ATOM 129 C ARG A 9 -8.106 -5.627 2.421 1.00 74.10 C ATOM 130 O ARG A 9 -7.132 -6.319 2.103 1.00 13.43 O ATOM 131 CB ARG A 9 -9.838 -6.379 4.105 1.00 42.31 C ATOM 132 CG ARG A 9 -10.397 -6.339 5.540 1.00 43.11 C ATOM 133 CD ARG A 9 -11.666 -7.194 5.705 1.00 73.14 C ATOM 134 NE ARG A 9 -12.289 -7.045 7.026 1.00 2.21 N ATOM 135 CZ ARG A 9 -12.164 -7.912 8.032 1.00 25.50 C ATOM 136 NH1 ARG A 9 -11.442 -9.020 7.909 1.00 75.03 N ATOM 137 NH2 ARG A 9 -12.764 -7.660 9.168 1.00 34.35 N ATOM 0 H ARG A 9 -9.728 -3.957 4.650 1.00 62.24 H new ATOM 0 HA ARG A 9 -7.755 -5.915 4.529 1.00 40.02 H new ATOM 0 HB2 ARG A 9 -10.608 -6.028 3.418 1.00 42.31 H new ATOM 0 HB3 ARG A 9 -9.623 -7.414 3.841 1.00 42.31 H new ATOM 0 HG2 ARG A 9 -9.633 -6.691 6.233 1.00 43.11 H new ATOM 0 HG3 ARG A 9 -10.621 -5.307 5.810 1.00 43.11 H new ATOM 0 HD2 ARG A 9 -12.387 -6.917 4.936 1.00 73.14 H new ATOM 0 HD3 ARG A 9 -11.415 -8.242 5.544 1.00 73.14 H new ATOM 0 HE ARG A 9 -12.861 -6.216 7.187 1.00 2.21 H new ATOM 0 HH11 ARG A 9 -10.967 -9.224 7.030 1.00 75.03 H new ATOM 0 HH12 ARG A 9 -11.362 -9.667 8.694 1.00 75.03 H new ATOM 0 HH21 ARG A 9 -13.318 -6.810 9.275 1.00 34.35 H new ATOM 0 HH22 ARG A 9 -12.678 -8.314 9.946 1.00 34.35 H new ATOM 151 N GLN A 10 -8.835 -4.899 1.544 1.00 44.34 N ATOM 152 CA GLN A 10 -8.556 -4.876 0.096 1.00 35.42 C ATOM 153 C GLN A 10 -7.273 -4.080 -0.199 1.00 30.20 C ATOM 154 O GLN A 10 -6.378 -4.595 -0.844 1.00 54.13 O ATOM 155 CB GLN A 10 -9.748 -4.279 -0.719 1.00 24.12 C ATOM 156 CG GLN A 10 -11.120 -4.927 -0.418 1.00 33.33 C ATOM 157 CD GLN A 10 -11.164 -6.457 -0.572 1.00 62.23 C ATOM 158 OE1 GLN A 10 -10.467 -7.049 -1.400 1.00 32.23 O ATOM 159 NE2 GLN A 10 -11.989 -7.113 0.237 1.00 10.21 N ATOM 0 H GLN A 10 -9.626 -4.317 1.820 1.00 44.34 H new ATOM 0 HA GLN A 10 -8.418 -5.911 -0.218 1.00 35.42 H new ATOM 0 HB2 GLN A 10 -9.812 -3.210 -0.514 1.00 24.12 H new ATOM 0 HB3 GLN A 10 -9.535 -4.387 -1.782 1.00 24.12 H new ATOM 0 HG2 GLN A 10 -11.410 -4.671 0.601 1.00 33.33 H new ATOM 0 HG3 GLN A 10 -11.865 -4.488 -1.081 1.00 33.33 H new ATOM 0 HE21 GLN A 10 -12.555 -6.600 0.913 1.00 10.21 H new ATOM 0 HE22 GLN A 10 -12.056 -8.129 0.182 1.00 10.21 H new ATOM 168 N VAL A 11 -7.188 -2.845 0.345 1.00 21.11 N ATOM 169 CA VAL A 11 -6.166 -1.841 -0.028 1.00 2.53 C ATOM 170 C VAL A 11 -4.739 -2.305 0.335 1.00 41.43 C ATOM 171 O VAL A 11 -3.810 -2.030 -0.413 1.00 11.11 O ATOM 172 CB VAL A 11 -6.446 -0.431 0.629 1.00 10.33 C ATOM 173 CG1 VAL A 11 -5.433 0.633 0.151 1.00 65.44 C ATOM 174 CG2 VAL A 11 -7.871 0.060 0.336 1.00 33.01 C ATOM 0 H VAL A 11 -7.833 -2.514 1.062 1.00 21.11 H new ATOM 0 HA VAL A 11 -6.234 -1.737 -1.111 1.00 2.53 H new ATOM 0 HB VAL A 11 -6.334 -0.568 1.705 1.00 10.33 H new ATOM 0 HG11 VAL A 11 -5.658 1.589 0.625 1.00 65.44 H new ATOM 0 HG12 VAL A 11 -4.424 0.323 0.422 1.00 65.44 H new ATOM 0 HG13 VAL A 11 -5.501 0.740 -0.932 1.00 65.44 H new ATOM 0 HG21 VAL A 11 -8.024 1.032 0.805 1.00 33.01 H new ATOM 0 HG22 VAL A 11 -8.010 0.150 -0.741 1.00 33.01 H new ATOM 0 HG23 VAL A 11 -8.591 -0.653 0.736 1.00 33.01 H new ATOM 184 N LYS A 12 -4.589 -3.019 1.471 1.00 11.34 N ATOM 185 CA LYS A 12 -3.286 -3.594 1.887 1.00 4.35 C ATOM 186 C LYS A 12 -2.814 -4.631 0.857 1.00 4.14 C ATOM 187 O LYS A 12 -1.633 -4.677 0.515 1.00 22.42 O ATOM 188 CB LYS A 12 -3.384 -4.273 3.270 1.00 42.54 C ATOM 189 CG LYS A 12 -3.719 -3.326 4.441 1.00 34.03 C ATOM 190 CD LYS A 12 -3.910 -4.102 5.765 1.00 5.11 C ATOM 191 CE LYS A 12 -5.032 -5.165 5.682 1.00 22.21 C ATOM 192 NZ LYS A 12 -5.107 -5.990 6.906 1.00 41.12 N ATOM 0 H LYS A 12 -5.353 -3.213 2.119 1.00 11.34 H new ATOM 0 HA LYS A 12 -2.571 -2.774 1.949 1.00 4.35 H new ATOM 0 HB2 LYS A 12 -4.146 -5.051 3.223 1.00 42.54 H new ATOM 0 HB3 LYS A 12 -2.436 -4.768 3.483 1.00 42.54 H new ATOM 0 HG2 LYS A 12 -2.919 -2.596 4.559 1.00 34.03 H new ATOM 0 HG3 LYS A 12 -4.627 -2.769 4.211 1.00 34.03 H new ATOM 0 HD2 LYS A 12 -2.973 -4.590 6.033 1.00 5.11 H new ATOM 0 HD3 LYS A 12 -4.142 -3.397 6.563 1.00 5.11 H new ATOM 0 HE2 LYS A 12 -5.989 -4.669 5.520 1.00 22.21 H new ATOM 0 HE3 LYS A 12 -4.857 -5.810 4.821 1.00 22.21 H new ATOM 0 HZ1 LYS A 12 -5.871 -6.688 6.808 1.00 41.12 H new ATOM 0 HZ2 LYS A 12 -4.203 -6.484 7.048 1.00 41.12 H new ATOM 0 HZ3 LYS A 12 -5.300 -5.379 7.725 1.00 41.12 H new ATOM 206 N GLN A 13 -3.774 -5.455 0.386 1.00 72.11 N ATOM 207 CA GLN A 13 -3.522 -6.490 -0.627 1.00 51.34 C ATOM 208 C GLN A 13 -3.172 -5.840 -1.981 1.00 12.22 C ATOM 209 O GLN A 13 -2.218 -6.248 -2.625 1.00 50.24 O ATOM 210 CB GLN A 13 -4.743 -7.434 -0.765 1.00 71.11 C ATOM 211 CG GLN A 13 -4.590 -8.530 -1.842 1.00 42.41 C ATOM 212 CD GLN A 13 -5.786 -9.480 -1.966 1.00 12.32 C ATOM 213 OE1 GLN A 13 -5.617 -10.649 -2.320 1.00 64.24 O ATOM 214 NE2 GLN A 13 -7.001 -8.995 -1.712 1.00 5.00 N ATOM 0 H GLN A 13 -4.744 -5.418 0.700 1.00 72.11 H new ATOM 0 HA GLN A 13 -2.671 -7.090 -0.304 1.00 51.34 H new ATOM 0 HB2 GLN A 13 -4.927 -7.912 0.197 1.00 71.11 H new ATOM 0 HB3 GLN A 13 -5.624 -6.836 -0.997 1.00 71.11 H new ATOM 0 HG2 GLN A 13 -4.423 -8.051 -2.807 1.00 42.41 H new ATOM 0 HG3 GLN A 13 -3.699 -9.117 -1.619 1.00 42.41 H new ATOM 0 HE21 GLN A 13 -7.112 -8.024 -1.421 1.00 5.00 H new ATOM 0 HE22 GLN A 13 -7.820 -9.595 -1.809 1.00 5.00 H new ATOM 223 N VAL A 14 -3.930 -4.794 -2.363 1.00 73.31 N ATOM 224 CA VAL A 14 -3.703 -4.040 -3.611 1.00 72.34 C ATOM 225 C VAL A 14 -2.293 -3.410 -3.589 1.00 14.24 C ATOM 226 O VAL A 14 -1.536 -3.509 -4.557 1.00 5.23 O ATOM 227 CB VAL A 14 -4.794 -2.913 -3.807 1.00 71.43 C ATOM 228 CG1 VAL A 14 -4.540 -2.098 -5.092 1.00 75.14 C ATOM 229 CG2 VAL A 14 -6.232 -3.495 -3.819 1.00 24.33 C ATOM 0 H VAL A 14 -4.717 -4.448 -1.815 1.00 73.31 H new ATOM 0 HA VAL A 14 -3.781 -4.734 -4.448 1.00 72.34 H new ATOM 0 HB VAL A 14 -4.708 -2.244 -2.951 1.00 71.43 H new ATOM 0 HG11 VAL A 14 -5.309 -1.332 -5.195 1.00 75.14 H new ATOM 0 HG12 VAL A 14 -3.560 -1.623 -5.034 1.00 75.14 H new ATOM 0 HG13 VAL A 14 -4.571 -2.762 -5.956 1.00 75.14 H new ATOM 0 HG21 VAL A 14 -6.950 -2.687 -3.956 1.00 24.33 H new ATOM 0 HG22 VAL A 14 -6.329 -4.209 -4.637 1.00 24.33 H new ATOM 0 HG23 VAL A 14 -6.429 -3.999 -2.873 1.00 24.33 H new ATOM 239 N ALA A 15 -1.948 -2.842 -2.421 1.00 31.11 N ATOM 240 CA ALA A 15 -0.708 -2.093 -2.202 1.00 31.22 C ATOM 241 C ALA A 15 0.531 -3.009 -2.210 1.00 13.52 C ATOM 242 O ALA A 15 1.561 -2.650 -2.797 1.00 41.10 O ATOM 243 CB ALA A 15 -0.805 -1.323 -0.879 1.00 13.24 C ATOM 0 H ALA A 15 -2.537 -2.894 -1.590 1.00 31.11 H new ATOM 0 HA ALA A 15 -0.585 -1.390 -3.026 1.00 31.22 H new ATOM 0 HB1 ALA A 15 0.117 -0.765 -0.714 1.00 13.24 H new ATOM 0 HB2 ALA A 15 -1.646 -0.630 -0.922 1.00 13.24 H new ATOM 0 HB3 ALA A 15 -0.955 -2.026 -0.059 1.00 13.24 H new ATOM 249 N LYS A 16 0.412 -4.195 -1.568 1.00 73.02 N ATOM 250 CA LYS A 16 1.532 -5.148 -1.460 1.00 21.20 C ATOM 251 C LYS A 16 1.879 -5.713 -2.843 1.00 25.33 C ATOM 252 O LYS A 16 3.052 -5.907 -3.137 1.00 64.41 O ATOM 253 CB LYS A 16 1.241 -6.302 -0.460 1.00 44.01 C ATOM 254 CG LYS A 16 0.148 -7.301 -0.900 1.00 51.20 C ATOM 255 CD LYS A 16 0.078 -8.569 -0.027 1.00 42.52 C ATOM 256 CE LYS A 16 1.341 -9.445 -0.147 1.00 42.22 C ATOM 257 NZ LYS A 16 1.187 -10.741 0.563 1.00 0.24 N ATOM 0 H LYS A 16 -0.448 -4.510 -1.119 1.00 73.02 H new ATOM 0 HA LYS A 16 2.386 -4.597 -1.067 1.00 21.20 H new ATOM 0 HB2 LYS A 16 2.166 -6.853 -0.289 1.00 44.01 H new ATOM 0 HB3 LYS A 16 0.948 -5.867 0.495 1.00 44.01 H new ATOM 0 HG2 LYS A 16 -0.820 -6.800 -0.876 1.00 51.20 H new ATOM 0 HG3 LYS A 16 0.330 -7.593 -1.934 1.00 51.20 H new ATOM 0 HD2 LYS A 16 -0.061 -8.280 1.015 1.00 42.52 H new ATOM 0 HD3 LYS A 16 -0.795 -9.155 -0.315 1.00 42.52 H new ATOM 0 HE2 LYS A 16 1.555 -9.631 -1.199 1.00 42.22 H new ATOM 0 HE3 LYS A 16 2.196 -8.907 0.262 1.00 42.22 H new ATOM 0 HZ1 LYS A 16 2.058 -11.300 0.458 1.00 0.24 H new ATOM 0 HZ2 LYS A 16 1.008 -10.565 1.572 1.00 0.24 H new ATOM 0 HZ3 LYS A 16 0.387 -11.267 0.156 1.00 0.24 H new ATOM 271 N GLU A 17 0.827 -5.942 -3.683 1.00 54.52 N ATOM 272 CA GLU A 17 0.978 -6.442 -5.064 1.00 53.35 C ATOM 273 C GLU A 17 1.853 -5.482 -5.869 1.00 53.11 C ATOM 274 O GLU A 17 2.778 -5.920 -6.534 1.00 64.44 O ATOM 275 CB GLU A 17 -0.398 -6.603 -5.771 1.00 60.34 C ATOM 276 CG GLU A 17 -1.313 -7.688 -5.173 1.00 74.42 C ATOM 277 CD GLU A 17 -2.699 -7.719 -5.833 1.00 52.34 C ATOM 278 OE1 GLU A 17 -3.028 -8.701 -6.535 1.00 23.44 O ATOM 279 OE2 GLU A 17 -3.461 -6.744 -5.674 1.00 22.02 O ATOM 0 H GLU A 17 -0.143 -5.782 -3.413 1.00 54.52 H new ATOM 0 HA GLU A 17 1.449 -7.424 -5.012 1.00 53.35 H new ATOM 0 HB2 GLU A 17 -0.922 -5.648 -5.736 1.00 60.34 H new ATOM 0 HB3 GLU A 17 -0.225 -6.834 -6.822 1.00 60.34 H new ATOM 0 HG2 GLU A 17 -0.838 -8.662 -5.287 1.00 74.42 H new ATOM 0 HG3 GLU A 17 -1.428 -7.513 -4.103 1.00 74.42 H new ATOM 286 N LYS A 18 1.554 -4.164 -5.735 1.00 34.45 N ATOM 287 CA LYS A 18 2.280 -3.078 -6.427 1.00 12.51 C ATOM 288 C LYS A 18 3.783 -3.132 -6.112 1.00 32.54 C ATOM 289 O LYS A 18 4.630 -2.985 -6.999 1.00 23.24 O ATOM 290 CB LYS A 18 1.716 -1.696 -5.998 1.00 32.12 C ATOM 291 CG LYS A 18 0.211 -1.501 -6.256 1.00 25.21 C ATOM 292 CD LYS A 18 -0.182 -1.610 -7.746 1.00 64.31 C ATOM 293 CE LYS A 18 0.411 -0.484 -8.611 1.00 75.34 C ATOM 294 NZ LYS A 18 0.088 -0.674 -10.046 1.00 75.43 N ATOM 0 H LYS A 18 0.797 -3.828 -5.139 1.00 34.45 H new ATOM 0 HA LYS A 18 2.140 -3.214 -7.499 1.00 12.51 H new ATOM 0 HB2 LYS A 18 1.908 -1.556 -4.934 1.00 32.12 H new ATOM 0 HB3 LYS A 18 2.264 -0.916 -6.527 1.00 32.12 H new ATOM 0 HG2 LYS A 18 -0.346 -2.246 -5.687 1.00 25.21 H new ATOM 0 HG3 LYS A 18 -0.089 -0.523 -5.881 1.00 25.21 H new ATOM 0 HD2 LYS A 18 0.152 -2.572 -8.134 1.00 64.31 H new ATOM 0 HD3 LYS A 18 -1.269 -1.592 -7.831 1.00 64.31 H new ATOM 0 HE2 LYS A 18 0.024 0.478 -8.274 1.00 75.34 H new ATOM 0 HE3 LYS A 18 1.493 -0.455 -8.481 1.00 75.34 H new ATOM 0 HZ1 LYS A 18 0.502 0.102 -10.601 1.00 75.43 H new ATOM 0 HZ2 LYS A 18 0.479 -1.581 -10.373 1.00 75.43 H new ATOM 0 HZ3 LYS A 18 -0.944 -0.677 -10.172 1.00 75.43 H new ATOM 308 N LEU A 19 4.084 -3.352 -4.821 1.00 2.23 N ATOM 309 CA LEU A 19 5.463 -3.440 -4.318 1.00 12.32 C ATOM 310 C LEU A 19 6.143 -4.749 -4.761 1.00 72.52 C ATOM 311 O LEU A 19 7.360 -4.785 -4.944 1.00 44.24 O ATOM 312 CB LEU A 19 5.475 -3.299 -2.775 1.00 12.21 C ATOM 313 CG LEU A 19 4.823 -1.999 -2.212 1.00 44.00 C ATOM 314 CD1 LEU A 19 5.049 -1.878 -0.696 1.00 44.01 C ATOM 315 CD2 LEU A 19 5.316 -0.745 -2.968 1.00 15.02 C ATOM 0 H LEU A 19 3.376 -3.474 -4.097 1.00 2.23 H new ATOM 0 HA LEU A 19 6.037 -2.619 -4.748 1.00 12.32 H new ATOM 0 HB2 LEU A 19 4.959 -4.158 -2.346 1.00 12.21 H new ATOM 0 HB3 LEU A 19 6.509 -3.344 -2.432 1.00 12.21 H new ATOM 0 HG LEU A 19 3.748 -2.068 -2.377 1.00 44.00 H new ATOM 0 HD11 LEU A 19 4.584 -0.962 -0.331 1.00 44.01 H new ATOM 0 HD12 LEU A 19 4.605 -2.737 -0.192 1.00 44.01 H new ATOM 0 HD13 LEU A 19 6.119 -1.849 -0.489 1.00 44.01 H new ATOM 0 HD21 LEU A 19 4.841 0.142 -2.549 1.00 15.02 H new ATOM 0 HD22 LEU A 19 6.398 -0.660 -2.866 1.00 15.02 H new ATOM 0 HD23 LEU A 19 5.057 -0.831 -4.023 1.00 15.02 H new ATOM 327 N LEU A 20 5.331 -5.809 -4.940 1.00 24.50 N ATOM 328 CA LEU A 20 5.803 -7.116 -5.433 1.00 63.55 C ATOM 329 C LEU A 20 6.061 -7.076 -6.950 1.00 72.05 C ATOM 330 O LEU A 20 6.852 -7.864 -7.457 1.00 55.44 O ATOM 331 CB LEU A 20 4.790 -8.243 -5.076 1.00 45.42 C ATOM 332 CG LEU A 20 4.630 -8.561 -3.553 1.00 73.24 C ATOM 333 CD1 LEU A 20 3.487 -9.570 -3.305 1.00 5.14 C ATOM 334 CD2 LEU A 20 5.960 -9.047 -2.934 1.00 45.54 C ATOM 0 H LEU A 20 4.330 -5.782 -4.747 1.00 24.50 H new ATOM 0 HA LEU A 20 6.748 -7.338 -4.937 1.00 63.55 H new ATOM 0 HB2 LEU A 20 3.814 -7.967 -5.474 1.00 45.42 H new ATOM 0 HB3 LEU A 20 5.096 -9.155 -5.588 1.00 45.42 H new ATOM 0 HG LEU A 20 4.359 -7.632 -3.051 1.00 73.24 H new ATOM 0 HD11 LEU A 20 3.403 -9.769 -2.237 1.00 5.14 H new ATOM 0 HD12 LEU A 20 2.549 -9.154 -3.672 1.00 5.14 H new ATOM 0 HD13 LEU A 20 3.702 -10.500 -3.831 1.00 5.14 H new ATOM 0 HD21 LEU A 20 5.812 -9.259 -1.875 1.00 45.54 H new ATOM 0 HD22 LEU A 20 6.289 -9.953 -3.443 1.00 45.54 H new ATOM 0 HD23 LEU A 20 6.718 -8.272 -3.047 1.00 45.54 H new ATOM 346 N GLU A 21 5.382 -6.162 -7.676 1.00 24.44 N ATOM 347 CA GLU A 21 5.626 -5.965 -9.124 1.00 74.31 C ATOM 348 C GLU A 21 7.028 -5.379 -9.343 1.00 71.45 C ATOM 349 O GLU A 21 7.713 -5.697 -10.317 1.00 64.34 O ATOM 350 CB GLU A 21 4.552 -5.035 -9.771 1.00 60.13 C ATOM 351 CG GLU A 21 3.091 -5.500 -9.590 1.00 64.13 C ATOM 352 CD GLU A 21 2.867 -6.976 -9.985 1.00 34.11 C ATOM 353 OE1 GLU A 21 2.812 -7.853 -9.090 1.00 3.14 O ATOM 354 OE2 GLU A 21 2.769 -7.264 -11.198 1.00 65.24 O ATOM 0 H GLU A 21 4.664 -5.551 -7.287 1.00 24.44 H new ATOM 0 HA GLU A 21 5.556 -6.939 -9.609 1.00 74.31 H new ATOM 0 HB2 GLU A 21 4.655 -4.036 -9.346 1.00 60.13 H new ATOM 0 HB3 GLU A 21 4.761 -4.951 -10.837 1.00 60.13 H new ATOM 0 HG2 GLU A 21 2.799 -5.361 -8.549 1.00 64.13 H new ATOM 0 HG3 GLU A 21 2.438 -4.867 -10.191 1.00 64.13 H new ATOM 361 N GLN A 22 7.437 -4.520 -8.395 1.00 21.43 N ATOM 362 CA GLN A 22 8.734 -3.832 -8.418 1.00 74.24 C ATOM 363 C GLN A 22 9.826 -4.670 -7.723 1.00 35.53 C ATOM 364 O GLN A 22 11.009 -4.571 -8.076 1.00 62.40 O ATOM 365 CB GLN A 22 8.570 -2.444 -7.754 1.00 53.20 C ATOM 366 CG GLN A 22 7.557 -1.530 -8.483 1.00 44.31 C ATOM 367 CD GLN A 22 7.264 -0.230 -7.740 1.00 15.52 C ATOM 368 OE1 GLN A 22 7.947 0.779 -7.917 1.00 63.02 O ATOM 369 NE2 GLN A 22 6.233 -0.242 -6.910 1.00 33.21 N ATOM 0 H GLN A 22 6.868 -4.282 -7.582 1.00 21.43 H new ATOM 0 HA GLN A 22 9.058 -3.699 -9.450 1.00 74.24 H new ATOM 0 HB2 GLN A 22 8.248 -2.579 -6.721 1.00 53.20 H new ATOM 0 HB3 GLN A 22 9.540 -1.947 -7.723 1.00 53.20 H new ATOM 0 HG2 GLN A 22 7.942 -1.293 -9.475 1.00 44.31 H new ATOM 0 HG3 GLN A 22 6.624 -2.076 -8.625 1.00 44.31 H new ATOM 0 HE21 GLN A 22 5.688 -1.095 -6.786 1.00 33.21 H new ATOM 0 HE22 GLN A 22 5.984 0.602 -6.394 1.00 33.21 H new ATOM 378 N SER A 23 9.421 -5.505 -6.741 1.00 33.33 N ATOM 379 CA SER A 23 10.344 -6.372 -5.985 1.00 73.51 C ATOM 380 C SER A 23 9.611 -7.652 -5.507 1.00 71.02 C ATOM 381 O SER A 23 9.081 -7.692 -4.385 1.00 44.45 O ATOM 382 CB SER A 23 10.980 -5.596 -4.797 1.00 22.14 C ATOM 383 OG SER A 23 11.948 -6.388 -4.113 1.00 34.23 O ATOM 0 H SER A 23 8.447 -5.595 -6.453 1.00 33.33 H new ATOM 0 HA SER A 23 11.156 -6.680 -6.644 1.00 73.51 H new ATOM 0 HB2 SER A 23 11.450 -4.684 -5.167 1.00 22.14 H new ATOM 0 HB3 SER A 23 10.199 -5.292 -4.100 1.00 22.14 H new ATOM 0 HG SER A 23 12.442 -5.826 -3.480 1.00 34.23 H new ATOM 389 N PRO A 24 9.528 -8.712 -6.381 1.00 31.25 N ATOM 390 CA PRO A 24 8.924 -10.016 -6.008 1.00 0.22 C ATOM 391 C PRO A 24 9.881 -10.911 -5.191 1.00 22.13 C ATOM 392 O PRO A 24 9.477 -11.968 -4.695 1.00 54.24 O ATOM 393 CB PRO A 24 8.595 -10.644 -7.388 1.00 11.12 C ATOM 394 CG PRO A 24 9.664 -10.118 -8.305 1.00 0.45 C ATOM 395 CD PRO A 24 9.982 -8.709 -7.812 1.00 75.43 C ATOM 0 HA PRO A 24 8.057 -9.903 -5.357 1.00 0.22 H new ATOM 0 HB2 PRO A 24 8.611 -11.733 -7.343 1.00 11.12 H new ATOM 0 HB3 PRO A 24 7.601 -10.354 -7.729 1.00 11.12 H new ATOM 0 HG2 PRO A 24 10.550 -10.752 -8.275 1.00 0.45 H new ATOM 0 HG3 PRO A 24 9.319 -10.101 -9.339 1.00 0.45 H new ATOM 0 HD2 PRO A 24 11.047 -8.489 -7.892 1.00 75.43 H new ATOM 0 HD3 PRO A 24 9.456 -7.954 -8.396 1.00 75.43 H new ATOM 403 N ASN A 25 11.149 -10.463 -5.045 1.00 11.33 N ATOM 404 CA ASN A 25 12.202 -11.204 -4.314 1.00 31.52 C ATOM 405 C ASN A 25 12.236 -10.824 -2.821 1.00 32.54 C ATOM 406 O ASN A 25 13.137 -11.253 -2.091 1.00 60.12 O ATOM 407 CB ASN A 25 13.594 -10.956 -4.968 1.00 30.24 C ATOM 408 CG ASN A 25 13.694 -11.411 -6.434 1.00 44.23 C ATOM 409 OD1 ASN A 25 14.382 -10.783 -7.243 1.00 41.32 O ATOM 410 ND2 ASN A 25 13.041 -12.515 -6.788 1.00 72.11 N ATOM 0 H ASN A 25 11.471 -9.576 -5.432 1.00 11.33 H new ATOM 0 HA ASN A 25 11.963 -12.265 -4.379 1.00 31.52 H new ATOM 0 HB2 ASN A 25 13.824 -9.892 -4.913 1.00 30.24 H new ATOM 0 HB3 ASN A 25 14.354 -11.476 -4.385 1.00 30.24 H new ATOM 0 HD21 ASN A 25 13.103 -12.859 -7.746 1.00 72.11 H new ATOM 0 HD22 ASN A 25 12.478 -13.017 -6.101 1.00 72.11 H new ATOM 417 N SER A 26 11.250 -10.032 -2.372 1.00 3.01 N ATOM 418 CA SER A 26 11.101 -9.647 -0.961 1.00 61.30 C ATOM 419 C SER A 26 9.639 -9.828 -0.524 1.00 74.25 C ATOM 420 O SER A 26 8.731 -9.864 -1.363 1.00 32.24 O ATOM 421 CB SER A 26 11.550 -8.185 -0.761 1.00 20.03 C ATOM 422 OG SER A 26 11.450 -7.793 0.599 1.00 22.00 O ATOM 0 H SER A 26 10.531 -9.639 -2.980 1.00 3.01 H new ATOM 0 HA SER A 26 11.732 -10.288 -0.345 1.00 61.30 H new ATOM 0 HB2 SER A 26 12.580 -8.070 -1.099 1.00 20.03 H new ATOM 0 HB3 SER A 26 10.937 -7.527 -1.377 1.00 20.03 H new ATOM 0 HG SER A 26 12.330 -7.510 0.924 1.00 22.00 H new ATOM 428 N LYS A 27 9.432 -9.952 0.792 1.00 21.24 N ATOM 429 CA LYS A 27 8.102 -10.087 1.399 1.00 41.22 C ATOM 430 C LYS A 27 7.664 -8.721 1.950 1.00 14.22 C ATOM 431 O LYS A 27 8.436 -8.054 2.654 1.00 44.21 O ATOM 432 CB LYS A 27 8.138 -11.159 2.522 1.00 42.35 C ATOM 433 CG LYS A 27 6.771 -11.421 3.203 1.00 32.31 C ATOM 434 CD LYS A 27 6.813 -12.578 4.229 1.00 53.22 C ATOM 435 CE LYS A 27 7.143 -13.939 3.583 1.00 50.42 C ATOM 436 NZ LYS A 27 7.176 -15.039 4.578 1.00 63.05 N ATOM 0 H LYS A 27 10.191 -9.962 1.473 1.00 21.24 H new ATOM 0 HA LYS A 27 7.380 -10.413 0.650 1.00 41.22 H new ATOM 0 HB2 LYS A 27 8.506 -12.095 2.102 1.00 42.35 H new ATOM 0 HB3 LYS A 27 8.855 -10.847 3.282 1.00 42.35 H new ATOM 0 HG2 LYS A 27 6.442 -10.511 3.705 1.00 32.31 H new ATOM 0 HG3 LYS A 27 6.029 -11.649 2.438 1.00 32.31 H new ATOM 0 HD2 LYS A 27 7.558 -12.353 4.992 1.00 53.22 H new ATOM 0 HD3 LYS A 27 5.849 -12.645 4.734 1.00 53.22 H new ATOM 0 HE2 LYS A 27 6.400 -14.166 2.818 1.00 50.42 H new ATOM 0 HE3 LYS A 27 8.109 -13.876 3.081 1.00 50.42 H new ATOM 0 HZ1 LYS A 27 7.401 -15.934 4.099 1.00 63.05 H new ATOM 0 HZ2 LYS A 27 7.902 -14.837 5.294 1.00 63.05 H new ATOM 0 HZ3 LYS A 27 6.247 -15.118 5.039 1.00 63.05 H new ATOM 450 N VAL A 28 6.423 -8.316 1.623 1.00 4.32 N ATOM 451 CA VAL A 28 5.851 -7.027 2.037 1.00 54.54 C ATOM 452 C VAL A 28 4.956 -7.230 3.271 1.00 4.11 C ATOM 453 O VAL A 28 4.095 -8.117 3.284 1.00 43.54 O ATOM 454 CB VAL A 28 5.002 -6.375 0.887 1.00 73.11 C ATOM 455 CG1 VAL A 28 4.509 -4.972 1.302 1.00 14.22 C ATOM 456 CG2 VAL A 28 5.797 -6.308 -0.433 1.00 52.34 C ATOM 0 H VAL A 28 5.787 -8.880 1.060 1.00 4.32 H new ATOM 0 HA VAL A 28 6.677 -6.357 2.275 1.00 54.54 H new ATOM 0 HB VAL A 28 4.132 -7.009 0.716 1.00 73.11 H new ATOM 0 HG11 VAL A 28 3.923 -4.538 0.492 1.00 14.22 H new ATOM 0 HG12 VAL A 28 3.889 -5.054 2.195 1.00 14.22 H new ATOM 0 HG13 VAL A 28 5.366 -4.333 1.513 1.00 14.22 H new ATOM 0 HG21 VAL A 28 5.180 -5.852 -1.207 1.00 52.34 H new ATOM 0 HG22 VAL A 28 6.696 -5.710 -0.286 1.00 52.34 H new ATOM 0 HG23 VAL A 28 6.078 -7.315 -0.740 1.00 52.34 H new ATOM 466 N GLN A 29 5.181 -6.407 4.303 1.00 11.40 N ATOM 467 CA GLN A 29 4.404 -6.392 5.549 1.00 45.25 C ATOM 468 C GLN A 29 3.545 -5.120 5.603 1.00 62.52 C ATOM 469 O GLN A 29 3.786 -4.168 4.857 1.00 34.01 O ATOM 470 CB GLN A 29 5.370 -6.431 6.771 1.00 71.45 C ATOM 471 CG GLN A 29 6.280 -7.677 6.858 1.00 64.31 C ATOM 472 CD GLN A 29 5.488 -8.990 6.852 1.00 33.31 C ATOM 473 OE1 GLN A 29 5.056 -9.477 7.895 1.00 31.41 O ATOM 474 NE2 GLN A 29 5.311 -9.586 5.683 1.00 42.31 N ATOM 0 H GLN A 29 5.929 -5.714 4.294 1.00 11.40 H new ATOM 0 HA GLN A 29 3.754 -7.266 5.581 1.00 45.25 H new ATOM 0 HB2 GLN A 29 6.001 -5.543 6.742 1.00 71.45 H new ATOM 0 HB3 GLN A 29 4.777 -6.371 7.683 1.00 71.45 H new ATOM 0 HG2 GLN A 29 6.975 -7.673 6.019 1.00 64.31 H new ATOM 0 HG3 GLN A 29 6.878 -7.622 7.768 1.00 64.31 H new ATOM 0 HE21 GLN A 29 5.680 -9.160 4.833 1.00 42.31 H new ATOM 0 HE22 GLN A 29 4.806 -10.471 5.633 1.00 42.31 H new ATOM 483 N VAL A 30 2.542 -5.120 6.487 1.00 2.22 N ATOM 484 CA VAL A 30 1.729 -3.933 6.788 1.00 2.12 C ATOM 485 C VAL A 30 2.373 -3.170 7.968 1.00 11.14 C ATOM 486 O VAL A 30 2.554 -3.726 9.060 1.00 73.11 O ATOM 487 CB VAL A 30 0.230 -4.321 7.099 1.00 4.44 C ATOM 488 CG1 VAL A 30 0.116 -5.414 8.200 1.00 74.45 C ATOM 489 CG2 VAL A 30 -0.608 -3.061 7.450 1.00 21.50 C ATOM 0 H VAL A 30 2.268 -5.947 7.018 1.00 2.22 H new ATOM 0 HA VAL A 30 1.705 -3.284 5.912 1.00 2.12 H new ATOM 0 HB VAL A 30 -0.185 -4.758 6.191 1.00 4.44 H new ATOM 0 HG11 VAL A 30 -0.935 -5.645 8.376 1.00 74.45 H new ATOM 0 HG12 VAL A 30 0.636 -6.315 7.874 1.00 74.45 H new ATOM 0 HG13 VAL A 30 0.567 -5.049 9.123 1.00 74.45 H new ATOM 0 HG21 VAL A 30 -1.636 -3.355 7.660 1.00 21.50 H new ATOM 0 HG22 VAL A 30 -0.183 -2.574 8.328 1.00 21.50 H new ATOM 0 HG23 VAL A 30 -0.593 -2.368 6.609 1.00 21.50 H new ATOM 499 N ARG A 31 2.769 -1.913 7.720 1.00 43.41 N ATOM 500 CA ARG A 31 3.377 -1.043 8.745 1.00 55.14 C ATOM 501 C ARG A 31 2.263 -0.232 9.450 1.00 24.24 C ATOM 502 O ARG A 31 2.088 -0.333 10.670 1.00 32.24 O ATOM 503 CB ARG A 31 4.456 -0.131 8.090 1.00 2.42 C ATOM 504 CG ARG A 31 5.183 0.845 9.046 1.00 55.54 C ATOM 505 CD ARG A 31 5.907 0.134 10.208 1.00 21.30 C ATOM 506 NE ARG A 31 6.657 1.080 11.047 1.00 34.24 N ATOM 507 CZ ARG A 31 7.248 0.787 12.212 1.00 11.23 C ATOM 508 NH1 ARG A 31 7.187 -0.432 12.735 1.00 44.54 N ATOM 509 NH2 ARG A 31 7.924 1.730 12.841 1.00 35.11 N ATOM 0 H ARG A 31 2.678 -1.469 6.806 1.00 43.41 H new ATOM 0 HA ARG A 31 3.882 -1.641 9.504 1.00 55.14 H new ATOM 0 HB2 ARG A 31 5.202 -0.767 7.614 1.00 2.42 H new ATOM 0 HB3 ARG A 31 3.982 0.450 7.299 1.00 2.42 H new ATOM 0 HG2 ARG A 31 5.908 1.427 8.477 1.00 55.54 H new ATOM 0 HG3 ARG A 31 4.459 1.549 9.455 1.00 55.54 H new ATOM 0 HD2 ARG A 31 5.177 -0.395 10.821 1.00 21.30 H new ATOM 0 HD3 ARG A 31 6.589 -0.615 9.806 1.00 21.30 H new ATOM 0 HE ARG A 31 6.734 2.041 10.713 1.00 34.24 H new ATOM 0 HH11 ARG A 31 6.681 -1.171 12.247 1.00 44.54 H new ATOM 0 HH12 ARG A 31 7.646 -0.629 13.624 1.00 44.54 H new ATOM 0 HH21 ARG A 31 7.990 2.665 12.439 1.00 35.11 H new ATOM 0 HH22 ARG A 31 8.380 1.524 13.730 1.00 35.11 H new ATOM 523 N ARG A 32 1.505 0.548 8.656 1.00 3.00 N ATOM 524 CA ARG A 32 0.303 1.297 9.105 1.00 54.23 C ATOM 525 C ARG A 32 -0.672 1.450 7.936 1.00 63.14 C ATOM 526 O ARG A 32 -0.301 1.240 6.783 1.00 21.10 O ATOM 527 CB ARG A 32 0.669 2.710 9.666 1.00 50.33 C ATOM 528 CG ARG A 32 1.223 2.725 11.110 1.00 52.15 C ATOM 529 CD ARG A 32 0.205 2.192 12.139 1.00 44.11 C ATOM 530 NE ARG A 32 0.768 2.070 13.493 1.00 2.43 N ATOM 531 CZ ARG A 32 0.048 1.787 14.592 1.00 44.23 C ATOM 532 NH1 ARG A 32 -1.274 1.606 14.520 1.00 54.31 N ATOM 533 NH2 ARG A 32 0.660 1.671 15.757 1.00 65.22 N ATOM 0 H ARG A 32 1.710 0.681 7.666 1.00 3.00 H new ATOM 0 HA ARG A 32 -0.159 0.728 9.911 1.00 54.23 H new ATOM 0 HB2 ARG A 32 1.408 3.164 9.006 1.00 50.33 H new ATOM 0 HB3 ARG A 32 -0.221 3.339 9.629 1.00 50.33 H new ATOM 0 HG2 ARG A 32 2.129 2.121 11.154 1.00 52.15 H new ATOM 0 HG3 ARG A 32 1.505 3.743 11.377 1.00 52.15 H new ATOM 0 HD2 ARG A 32 -0.657 2.859 12.168 1.00 44.11 H new ATOM 0 HD3 ARG A 32 -0.157 1.217 11.813 1.00 44.11 H new ATOM 0 HE ARG A 32 1.772 2.210 13.605 1.00 2.43 H new ATOM 0 HH11 ARG A 32 -1.751 1.682 13.622 1.00 54.31 H new ATOM 0 HH12 ARG A 32 -1.806 1.392 15.363 1.00 54.31 H new ATOM 0 HH21 ARG A 32 1.671 1.796 15.817 1.00 65.22 H new ATOM 0 HH22 ARG A 32 0.122 1.456 16.597 1.00 65.22 H new ATOM 547 N VAL A 33 -1.928 1.799 8.253 1.00 41.32 N ATOM 548 CA VAL A 33 -2.960 2.139 7.253 1.00 14.32 C ATOM 549 C VAL A 33 -3.640 3.449 7.689 1.00 44.45 C ATOM 550 O VAL A 33 -4.264 3.490 8.759 1.00 31.13 O ATOM 551 CB VAL A 33 -4.055 1.007 7.100 1.00 63.12 C ATOM 552 CG1 VAL A 33 -5.070 1.364 5.990 1.00 23.51 C ATOM 553 CG2 VAL A 33 -3.428 -0.383 6.842 1.00 44.31 C ATOM 0 H VAL A 33 -2.261 1.855 9.215 1.00 41.32 H new ATOM 0 HA VAL A 33 -2.472 2.245 6.284 1.00 14.32 H new ATOM 0 HB VAL A 33 -4.586 0.950 8.050 1.00 63.12 H new ATOM 0 HG11 VAL A 33 -5.811 0.569 5.906 1.00 23.51 H new ATOM 0 HG12 VAL A 33 -5.569 2.300 6.240 1.00 23.51 H new ATOM 0 HG13 VAL A 33 -4.547 1.474 5.040 1.00 23.51 H new ATOM 0 HG21 VAL A 33 -4.219 -1.126 6.744 1.00 44.31 H new ATOM 0 HG22 VAL A 33 -2.842 -0.353 5.923 1.00 44.31 H new ATOM 0 HG23 VAL A 33 -2.780 -0.650 7.677 1.00 44.31 H new ATOM 563 N GLN A 34 -3.497 4.519 6.890 1.00 51.13 N ATOM 564 CA GLN A 34 -4.137 5.824 7.157 1.00 32.51 C ATOM 565 C GLN A 34 -5.392 5.997 6.272 1.00 30.24 C ATOM 566 O GLN A 34 -5.317 5.870 5.050 1.00 50.34 O ATOM 567 CB GLN A 34 -3.139 7.001 6.917 1.00 53.23 C ATOM 568 CG GLN A 34 -2.047 7.194 8.004 1.00 2.31 C ATOM 569 CD GLN A 34 -0.974 6.098 8.066 1.00 23.44 C ATOM 570 OE1 GLN A 34 -0.662 5.436 7.077 1.00 15.12 O ATOM 571 NE2 GLN A 34 -0.365 5.933 9.230 1.00 61.41 N ATOM 0 H GLN A 34 -2.935 4.507 6.039 1.00 51.13 H new ATOM 0 HA GLN A 34 -4.437 5.844 8.205 1.00 32.51 H new ATOM 0 HB2 GLN A 34 -2.646 6.844 5.958 1.00 53.23 H new ATOM 0 HB3 GLN A 34 -3.710 7.926 6.835 1.00 53.23 H new ATOM 0 HG2 GLN A 34 -1.554 8.151 7.833 1.00 2.31 H new ATOM 0 HG3 GLN A 34 -2.535 7.256 8.977 1.00 2.31 H new ATOM 0 HE21 GLN A 34 -0.643 6.495 10.035 1.00 61.41 H new ATOM 0 HE22 GLN A 34 0.382 5.244 9.322 1.00 61.41 H new ATOM 580 N LYS A 35 -6.540 6.270 6.918 1.00 31.44 N ATOM 581 CA LYS A 35 -7.823 6.567 6.254 1.00 42.22 C ATOM 582 C LYS A 35 -8.001 8.095 6.147 1.00 72.30 C ATOM 583 O LYS A 35 -8.147 8.776 7.165 1.00 4.23 O ATOM 584 CB LYS A 35 -8.982 5.927 7.081 1.00 73.20 C ATOM 585 CG LYS A 35 -10.428 6.242 6.612 1.00 21.01 C ATOM 586 CD LYS A 35 -10.742 5.710 5.198 1.00 32.22 C ATOM 587 CE LYS A 35 -12.191 5.986 4.782 1.00 53.14 C ATOM 588 NZ LYS A 35 -12.473 5.533 3.397 1.00 33.40 N ATOM 0 H LYS A 35 -6.603 6.291 7.936 1.00 31.44 H new ATOM 0 HA LYS A 35 -7.836 6.148 5.248 1.00 42.22 H new ATOM 0 HB2 LYS A 35 -8.849 4.845 7.072 1.00 73.20 H new ATOM 0 HB3 LYS A 35 -8.881 6.252 8.116 1.00 73.20 H new ATOM 0 HG2 LYS A 35 -11.134 5.809 7.320 1.00 21.01 H new ATOM 0 HG3 LYS A 35 -10.581 7.321 6.629 1.00 21.01 H new ATOM 0 HD2 LYS A 35 -10.065 6.173 4.479 1.00 32.22 H new ATOM 0 HD3 LYS A 35 -10.555 4.637 5.166 1.00 32.22 H new ATOM 0 HE2 LYS A 35 -12.868 5.482 5.472 1.00 53.14 H new ATOM 0 HE3 LYS A 35 -12.393 7.054 4.861 1.00 53.14 H new ATOM 0 HZ1 LYS A 35 -13.389 5.041 3.372 1.00 33.40 H new ATOM 0 HZ2 LYS A 35 -12.505 6.356 2.762 1.00 33.40 H new ATOM 0 HZ3 LYS A 35 -11.723 4.884 3.085 1.00 33.40 H new ATOM 602 N GLN A 36 -7.948 8.632 4.916 1.00 75.53 N ATOM 603 CA GLN A 36 -8.189 10.070 4.654 1.00 34.33 C ATOM 604 C GLN A 36 -9.366 10.207 3.677 1.00 52.14 C ATOM 605 O GLN A 36 -9.176 10.513 2.489 1.00 15.24 O ATOM 606 CB GLN A 36 -6.916 10.799 4.092 1.00 45.24 C ATOM 607 CG GLN A 36 -5.642 10.732 4.983 1.00 54.45 C ATOM 608 CD GLN A 36 -4.620 9.650 4.586 1.00 32.41 C ATOM 609 OE1 GLN A 36 -3.420 9.813 4.797 1.00 23.11 O ATOM 610 NE2 GLN A 36 -5.059 8.547 4.000 1.00 73.53 N ATOM 0 H GLN A 36 -7.739 8.090 4.077 1.00 75.53 H new ATOM 0 HA GLN A 36 -8.428 10.554 5.601 1.00 34.33 H new ATOM 0 HB2 GLN A 36 -6.677 10.371 3.118 1.00 45.24 H new ATOM 0 HB3 GLN A 36 -7.165 11.847 3.927 1.00 45.24 H new ATOM 0 HG2 GLN A 36 -5.148 11.703 4.956 1.00 54.45 H new ATOM 0 HG3 GLN A 36 -5.948 10.559 6.015 1.00 54.45 H new ATOM 0 HE21 GLN A 36 -6.057 8.422 3.830 1.00 73.53 H new ATOM 0 HE22 GLN A 36 -4.399 7.822 3.719 1.00 73.53 H new ATOM 619 N GLY A 37 -10.576 9.928 4.191 1.00 55.21 N ATOM 620 CA GLY A 37 -11.813 10.017 3.414 1.00 52.41 C ATOM 621 C GLY A 37 -11.819 9.104 2.189 1.00 42.31 C ATOM 622 O GLY A 37 -11.946 7.894 2.316 1.00 51.14 O ATOM 0 H GLY A 37 -10.718 9.635 5.158 1.00 55.21 H new ATOM 0 HA2 GLY A 37 -12.657 9.761 4.055 1.00 52.41 H new ATOM 0 HA3 GLY A 37 -11.959 11.048 3.092 1.00 52.41 H new ATOM 626 N ASN A 38 -11.632 9.695 1.005 1.00 63.21 N ATOM 627 CA ASN A 38 -11.627 8.955 -0.274 1.00 33.43 C ATOM 628 C ASN A 38 -10.306 8.180 -0.444 1.00 75.25 C ATOM 629 O ASN A 38 -10.304 7.019 -0.863 1.00 1.24 O ATOM 630 CB ASN A 38 -11.849 9.929 -1.464 1.00 62.31 C ATOM 631 CG ASN A 38 -13.094 10.805 -1.280 1.00 52.41 C ATOM 632 OD1 ASN A 38 -13.018 11.912 -0.741 1.00 32.32 O ATOM 633 ND2 ASN A 38 -14.255 10.315 -1.689 1.00 32.22 N ATOM 0 H ASN A 38 -11.480 10.698 0.899 1.00 63.21 H new ATOM 0 HA ASN A 38 -12.446 8.236 -0.262 1.00 33.43 H new ATOM 0 HB2 ASN A 38 -10.973 10.567 -1.575 1.00 62.31 H new ATOM 0 HB3 ASN A 38 -11.945 9.356 -2.386 1.00 62.31 H new ATOM 0 HD21 ASN A 38 -15.110 10.856 -1.561 1.00 32.22 H new ATOM 0 HD22 ASN A 38 -14.293 9.397 -2.132 1.00 32.22 H new ATOM 640 N THR A 39 -9.186 8.828 -0.078 1.00 61.54 N ATOM 641 CA THR A 39 -7.836 8.275 -0.269 1.00 21.21 C ATOM 642 C THR A 39 -7.339 7.569 1.007 1.00 22.14 C ATOM 643 O THR A 39 -7.211 8.197 2.057 1.00 45.52 O ATOM 644 CB THR A 39 -6.833 9.409 -0.656 1.00 24.22 C ATOM 645 OG1 THR A 39 -7.354 10.142 -1.777 1.00 34.44 O ATOM 646 CG2 THR A 39 -5.422 8.864 -0.994 1.00 42.15 C ATOM 0 H THR A 39 -9.193 9.750 0.358 1.00 61.54 H new ATOM 0 HA THR A 39 -7.889 7.544 -1.076 1.00 21.21 H new ATOM 0 HB THR A 39 -6.725 10.063 0.209 1.00 24.22 H new ATOM 0 HG1 THR A 39 -6.728 10.855 -2.021 1.00 34.44 H new ATOM 0 HG21 THR A 39 -4.765 9.693 -1.256 1.00 42.15 H new ATOM 0 HG22 THR A 39 -5.017 8.340 -0.128 1.00 42.15 H new ATOM 0 HG23 THR A 39 -5.490 8.175 -1.836 1.00 42.15 H new ATOM 654 N ILE A 40 -7.085 6.262 0.906 1.00 14.51 N ATOM 655 CA ILE A 40 -6.392 5.484 1.948 1.00 51.40 C ATOM 656 C ILE A 40 -4.901 5.342 1.570 1.00 33.15 C ATOM 657 O ILE A 40 -4.567 4.739 0.545 1.00 54.41 O ATOM 658 CB ILE A 40 -7.048 4.065 2.155 1.00 30.45 C ATOM 659 CG1 ILE A 40 -8.517 4.222 2.668 1.00 12.32 C ATOM 660 CG2 ILE A 40 -6.205 3.181 3.113 1.00 32.43 C ATOM 661 CD1 ILE A 40 -9.226 2.924 3.024 1.00 21.15 C ATOM 0 H ILE A 40 -7.355 5.705 0.095 1.00 14.51 H new ATOM 0 HA ILE A 40 -6.483 6.018 2.894 1.00 51.40 H new ATOM 0 HB ILE A 40 -7.071 3.555 1.192 1.00 30.45 H new ATOM 0 HG12 ILE A 40 -8.510 4.865 3.548 1.00 12.32 H new ATOM 0 HG13 ILE A 40 -9.098 4.736 1.902 1.00 12.32 H new ATOM 0 HG21 ILE A 40 -6.688 2.211 3.232 1.00 32.43 H new ATOM 0 HG22 ILE A 40 -5.208 3.041 2.696 1.00 32.43 H new ATOM 0 HG23 ILE A 40 -6.127 3.669 4.084 1.00 32.43 H new ATOM 0 HD11 ILE A 40 -10.237 3.144 3.368 1.00 21.15 H new ATOM 0 HD12 ILE A 40 -9.274 2.282 2.144 1.00 21.15 H new ATOM 0 HD13 ILE A 40 -8.676 2.414 3.815 1.00 21.15 H new ATOM 673 N ARG A 41 -4.020 5.910 2.410 1.00 43.51 N ATOM 674 CA ARG A 41 -2.561 5.858 2.226 1.00 42.23 C ATOM 675 C ARG A 41 -1.984 4.828 3.196 1.00 40.24 C ATOM 676 O ARG A 41 -1.840 5.101 4.394 1.00 44.14 O ATOM 677 CB ARG A 41 -1.931 7.253 2.469 1.00 41.50 C ATOM 678 CG ARG A 41 -2.452 8.351 1.521 1.00 14.15 C ATOM 679 CD ARG A 41 -1.765 9.705 1.755 1.00 53.32 C ATOM 680 NE ARG A 41 -2.280 10.762 0.854 1.00 10.25 N ATOM 681 CZ ARG A 41 -2.865 11.904 1.252 1.00 41.23 C ATOM 682 NH1 ARG A 41 -3.034 12.172 2.547 1.00 62.33 N ATOM 683 NH2 ARG A 41 -3.281 12.765 0.342 1.00 54.31 N ATOM 0 H ARG A 41 -4.304 6.423 3.244 1.00 43.51 H new ATOM 0 HA ARG A 41 -2.329 5.566 1.202 1.00 42.23 H new ATOM 0 HB2 ARG A 41 -2.126 7.554 3.498 1.00 41.50 H new ATOM 0 HB3 ARG A 41 -0.849 7.176 2.359 1.00 41.50 H new ATOM 0 HG2 ARG A 41 -2.293 8.040 0.488 1.00 14.15 H new ATOM 0 HG3 ARG A 41 -3.527 8.464 1.658 1.00 14.15 H new ATOM 0 HD2 ARG A 41 -1.913 10.010 2.791 1.00 53.32 H new ATOM 0 HD3 ARG A 41 -0.691 9.595 1.605 1.00 53.32 H new ATOM 0 HE ARG A 41 -2.183 10.610 -0.150 1.00 10.25 H new ATOM 0 HH11 ARG A 41 -2.717 11.506 3.251 1.00 62.33 H new ATOM 0 HH12 ARG A 41 -3.480 13.043 2.833 1.00 62.33 H new ATOM 0 HH21 ARG A 41 -3.157 12.559 -0.649 1.00 54.31 H new ATOM 0 HH22 ARG A 41 -3.727 13.636 0.630 1.00 54.31 H new ATOM 697 N VAL A 42 -1.713 3.630 2.677 1.00 14.45 N ATOM 698 CA VAL A 42 -1.152 2.526 3.458 1.00 3.21 C ATOM 699 C VAL A 42 0.375 2.658 3.488 1.00 33.23 C ATOM 700 O VAL A 42 1.002 2.797 2.432 1.00 33.31 O ATOM 701 CB VAL A 42 -1.538 1.126 2.846 1.00 42.21 C ATOM 702 CG1 VAL A 42 -1.054 -0.048 3.739 1.00 11.32 C ATOM 703 CG2 VAL A 42 -3.051 1.032 2.606 1.00 70.14 C ATOM 0 H VAL A 42 -1.877 3.397 1.698 1.00 14.45 H new ATOM 0 HA VAL A 42 -1.563 2.580 4.466 1.00 3.21 H new ATOM 0 HB VAL A 42 -1.028 1.042 1.886 1.00 42.21 H new ATOM 0 HG11 VAL A 42 -1.340 -0.995 3.282 1.00 11.32 H new ATOM 0 HG12 VAL A 42 0.031 -0.006 3.839 1.00 11.32 H new ATOM 0 HG13 VAL A 42 -1.512 0.032 4.725 1.00 11.32 H new ATOM 0 HG21 VAL A 42 -3.292 0.057 2.183 1.00 70.14 H new ATOM 0 HG22 VAL A 42 -3.578 1.158 3.552 1.00 70.14 H new ATOM 0 HG23 VAL A 42 -3.359 1.814 1.912 1.00 70.14 H new ATOM 713 N GLU A 43 0.953 2.667 4.693 1.00 72.31 N ATOM 714 CA GLU A 43 2.403 2.505 4.887 1.00 25.32 C ATOM 715 C GLU A 43 2.708 1.002 4.941 1.00 12.44 C ATOM 716 O GLU A 43 2.137 0.276 5.760 1.00 2.00 O ATOM 717 CB GLU A 43 2.876 3.188 6.199 1.00 54.24 C ATOM 718 CG GLU A 43 2.593 4.702 6.262 1.00 31.01 C ATOM 719 CD GLU A 43 3.176 5.374 7.515 1.00 21.43 C ATOM 720 OE1 GLU A 43 2.518 5.364 8.574 1.00 14.44 O ATOM 721 OE2 GLU A 43 4.306 5.905 7.449 1.00 45.50 O ATOM 0 H GLU A 43 0.433 2.786 5.562 1.00 72.31 H new ATOM 0 HA GLU A 43 2.934 2.979 4.062 1.00 25.32 H new ATOM 0 HB2 GLU A 43 2.387 2.703 7.044 1.00 54.24 H new ATOM 0 HB3 GLU A 43 3.948 3.025 6.314 1.00 54.24 H new ATOM 0 HG2 GLU A 43 3.008 5.180 5.375 1.00 31.01 H new ATOM 0 HG3 GLU A 43 1.516 4.865 6.238 1.00 31.01 H new ATOM 728 N LEU A 44 3.570 0.521 4.049 1.00 4.51 N ATOM 729 CA LEU A 44 3.987 -0.898 4.013 1.00 1.25 C ATOM 730 C LEU A 44 5.484 -0.998 4.269 1.00 24.11 C ATOM 731 O LEU A 44 6.188 0.010 4.261 1.00 53.34 O ATOM 732 CB LEU A 44 3.630 -1.582 2.671 1.00 3.41 C ATOM 733 CG LEU A 44 2.125 -1.492 2.229 1.00 43.50 C ATOM 734 CD1 LEU A 44 1.843 -0.193 1.459 1.00 44.21 C ATOM 735 CD2 LEU A 44 1.689 -2.720 1.415 1.00 23.11 C ATOM 0 H LEU A 44 4.005 1.095 3.327 1.00 4.51 H new ATOM 0 HA LEU A 44 3.440 -1.423 4.796 1.00 1.25 H new ATOM 0 HB2 LEU A 44 4.245 -1.141 1.887 1.00 3.41 H new ATOM 0 HB3 LEU A 44 3.906 -2.634 2.738 1.00 3.41 H new ATOM 0 HG LEU A 44 1.528 -1.479 3.141 1.00 43.50 H new ATOM 0 HD11 LEU A 44 0.793 -0.163 1.168 1.00 44.21 H new ATOM 0 HD12 LEU A 44 2.068 0.663 2.095 1.00 44.21 H new ATOM 0 HD13 LEU A 44 2.468 -0.156 0.567 1.00 44.21 H new ATOM 0 HD21 LEU A 44 0.642 -2.615 1.131 1.00 23.11 H new ATOM 0 HD22 LEU A 44 2.303 -2.798 0.518 1.00 23.11 H new ATOM 0 HD23 LEU A 44 1.813 -3.619 2.019 1.00 23.11 H new ATOM 747 N GLU A 45 5.961 -2.225 4.490 1.00 43.10 N ATOM 748 CA GLU A 45 7.345 -2.481 4.865 1.00 3.41 C ATOM 749 C GLU A 45 7.901 -3.644 4.025 1.00 45.43 C ATOM 750 O GLU A 45 7.610 -4.812 4.281 1.00 1.42 O ATOM 751 CB GLU A 45 7.359 -2.791 6.379 1.00 64.23 C ATOM 752 CG GLU A 45 8.749 -2.979 7.005 1.00 61.53 C ATOM 753 CD GLU A 45 8.661 -3.130 8.529 1.00 34.42 C ATOM 754 OE1 GLU A 45 8.603 -4.274 9.031 1.00 11.21 O ATOM 755 OE2 GLU A 45 8.604 -2.101 9.231 1.00 22.00 O ATOM 0 H GLU A 45 5.393 -3.069 4.413 1.00 43.10 H new ATOM 0 HA GLU A 45 7.984 -1.620 4.671 1.00 3.41 H new ATOM 0 HB2 GLU A 45 6.851 -1.981 6.902 1.00 64.23 H new ATOM 0 HB3 GLU A 45 6.777 -3.696 6.552 1.00 64.23 H new ATOM 0 HG2 GLU A 45 9.226 -3.861 6.577 1.00 61.53 H new ATOM 0 HG3 GLU A 45 9.379 -2.125 6.758 1.00 61.53 H new ATOM 762 N LEU A 46 8.707 -3.295 3.025 1.00 1.12 N ATOM 763 CA LEU A 46 9.376 -4.242 2.121 1.00 42.02 C ATOM 764 C LEU A 46 10.869 -4.189 2.450 1.00 14.44 C ATOM 765 O LEU A 46 11.430 -3.100 2.612 1.00 13.33 O ATOM 766 CB LEU A 46 9.058 -3.840 0.642 1.00 52.13 C ATOM 767 CG LEU A 46 9.615 -4.753 -0.521 1.00 52.41 C ATOM 768 CD1 LEU A 46 8.805 -4.552 -1.815 1.00 2.40 C ATOM 769 CD2 LEU A 46 11.112 -4.497 -0.816 1.00 64.50 C ATOM 0 H LEU A 46 8.922 -2.321 2.811 1.00 1.12 H new ATOM 0 HA LEU A 46 9.028 -5.267 2.247 1.00 42.02 H new ATOM 0 HB2 LEU A 46 7.974 -3.792 0.537 1.00 52.13 H new ATOM 0 HB3 LEU A 46 9.438 -2.831 0.483 1.00 52.13 H new ATOM 0 HG LEU A 46 9.510 -5.781 -0.174 1.00 52.41 H new ATOM 0 HD11 LEU A 46 9.209 -5.192 -2.600 1.00 2.40 H new ATOM 0 HD12 LEU A 46 7.762 -4.812 -1.635 1.00 2.40 H new ATOM 0 HD13 LEU A 46 8.870 -3.510 -2.127 1.00 2.40 H new ATOM 0 HD21 LEU A 46 11.441 -5.151 -1.623 1.00 64.50 H new ATOM 0 HD22 LEU A 46 11.252 -3.457 -1.112 1.00 64.50 H new ATOM 0 HD23 LEU A 46 11.699 -4.702 0.079 1.00 64.50 H new ATOM 781 N ARG A 47 11.518 -5.355 2.558 1.00 22.11 N ATOM 782 CA ARG A 47 12.930 -5.422 2.964 1.00 45.13 C ATOM 783 C ARG A 47 13.823 -5.645 1.734 1.00 31.32 C ATOM 784 O ARG A 47 14.037 -6.780 1.288 1.00 13.25 O ATOM 785 CB ARG A 47 13.111 -6.531 4.046 1.00 4.23 C ATOM 786 CG ARG A 47 12.555 -6.126 5.434 1.00 51.51 C ATOM 787 CD ARG A 47 12.506 -7.289 6.443 1.00 23.13 C ATOM 788 NE ARG A 47 12.235 -6.823 7.822 1.00 43.54 N ATOM 789 CZ ARG A 47 11.048 -6.405 8.297 1.00 31.31 C ATOM 790 NH1 ARG A 47 9.959 -6.380 7.528 1.00 43.32 N ATOM 791 NH2 ARG A 47 10.954 -5.990 9.552 1.00 14.51 N ATOM 0 H ARG A 47 11.091 -6.262 2.371 1.00 22.11 H new ATOM 0 HA ARG A 47 13.237 -4.476 3.411 1.00 45.13 H new ATOM 0 HB2 ARG A 47 12.611 -7.440 3.712 1.00 4.23 H new ATOM 0 HB3 ARG A 47 14.171 -6.767 4.141 1.00 4.23 H new ATOM 0 HG2 ARG A 47 13.172 -5.326 5.844 1.00 51.51 H new ATOM 0 HG3 ARG A 47 11.550 -5.722 5.310 1.00 51.51 H new ATOM 0 HD2 ARG A 47 11.733 -7.996 6.142 1.00 23.13 H new ATOM 0 HD3 ARG A 47 13.455 -7.826 6.423 1.00 23.13 H new ATOM 0 HE ARG A 47 13.021 -6.819 8.472 1.00 43.54 H new ATOM 0 HH11 ARG A 47 10.014 -6.682 6.555 1.00 43.32 H new ATOM 0 HH12 ARG A 47 9.071 -6.059 7.912 1.00 43.32 H new ATOM 0 HH21 ARG A 47 11.779 -5.989 10.152 1.00 14.51 H new ATOM 0 HH22 ARG A 47 10.057 -5.672 9.918 1.00 14.51 H new ATOM 862 N LYS A 52 15.073 -2.017 5.703 1.00 14.14 N ATOM 863 CA LYS A 52 13.667 -1.658 5.951 1.00 32.20 C ATOM 864 C LYS A 52 13.283 -0.437 5.089 1.00 54.33 C ATOM 865 O LYS A 52 13.644 0.706 5.403 1.00 1.02 O ATOM 866 CB LYS A 52 13.468 -1.348 7.468 1.00 3.51 C ATOM 867 CG LYS A 52 12.063 -0.813 7.851 1.00 34.44 C ATOM 868 CD LYS A 52 11.994 -0.295 9.311 1.00 61.21 C ATOM 869 CE LYS A 52 10.666 0.416 9.616 1.00 51.01 C ATOM 870 NZ LYS A 52 10.641 1.006 10.976 1.00 51.31 N ATOM 0 HA LYS A 52 13.020 -2.492 5.678 1.00 32.20 H new ATOM 0 HB2 LYS A 52 13.661 -2.257 8.037 1.00 3.51 H new ATOM 0 HB3 LYS A 52 14.215 -0.615 7.774 1.00 3.51 H new ATOM 0 HG2 LYS A 52 11.789 -0.007 7.171 1.00 34.44 H new ATOM 0 HG3 LYS A 52 11.328 -1.607 7.717 1.00 34.44 H new ATOM 0 HD2 LYS A 52 12.121 -1.132 9.997 1.00 61.21 H new ATOM 0 HD3 LYS A 52 12.821 0.392 9.490 1.00 61.21 H new ATOM 0 HE2 LYS A 52 10.500 1.202 8.879 1.00 51.01 H new ATOM 0 HE3 LYS A 52 9.845 -0.294 9.516 1.00 51.01 H new ATOM 0 HZ1 LYS A 52 9.777 1.574 11.092 1.00 51.31 H new ATOM 0 HZ2 LYS A 52 10.653 0.245 11.685 1.00 51.31 H new ATOM 0 HZ3 LYS A 52 11.475 1.614 11.106 1.00 51.31 H new ATOM 884 N GLU A 53 12.600 -0.715 3.967 1.00 64.11 N ATOM 885 CA GLU A 53 12.065 0.310 3.057 1.00 5.41 C ATOM 886 C GLU A 53 10.544 0.404 3.231 1.00 32.41 C ATOM 887 O GLU A 53 9.811 -0.543 2.920 1.00 44.04 O ATOM 888 CB GLU A 53 12.419 -0.030 1.580 1.00 4.31 C ATOM 889 CG GLU A 53 13.930 -0.096 1.282 1.00 41.42 C ATOM 890 CD GLU A 53 14.684 1.190 1.662 1.00 3.42 C ATOM 891 OE1 GLU A 53 14.311 2.285 1.167 1.00 73.35 O ATOM 892 OE2 GLU A 53 15.654 1.118 2.445 1.00 54.44 O ATOM 0 H GLU A 53 12.402 -1.668 3.663 1.00 64.11 H new ATOM 0 HA GLU A 53 12.516 1.272 3.301 1.00 5.41 H new ATOM 0 HB2 GLU A 53 11.969 -0.989 1.324 1.00 4.31 H new ATOM 0 HB3 GLU A 53 11.966 0.718 0.930 1.00 4.31 H new ATOM 0 HG2 GLU A 53 14.363 -0.936 1.824 1.00 41.42 H new ATOM 0 HG3 GLU A 53 14.075 -0.293 0.220 1.00 41.42 H new ATOM 899 N ASN A 54 10.081 1.544 3.758 1.00 71.32 N ATOM 900 CA ASN A 54 8.650 1.827 3.927 1.00 21.21 C ATOM 901 C ASN A 54 8.104 2.557 2.693 1.00 31.34 C ATOM 902 O ASN A 54 8.559 3.649 2.354 1.00 41.30 O ATOM 903 CB ASN A 54 8.402 2.655 5.221 1.00 21.54 C ATOM 904 CG ASN A 54 8.674 1.875 6.513 1.00 14.14 C ATOM 905 OD1 ASN A 54 9.179 2.428 7.486 1.00 72.13 O ATOM 906 ND2 ASN A 54 8.296 0.598 6.558 1.00 24.01 N ATOM 0 H ASN A 54 10.689 2.297 4.080 1.00 71.32 H new ATOM 0 HA ASN A 54 8.117 0.881 4.029 1.00 21.21 H new ATOM 0 HB2 ASN A 54 9.036 3.541 5.202 1.00 21.54 H new ATOM 0 HB3 ASN A 54 7.369 3.002 5.227 1.00 21.54 H new ATOM 0 HD21 ASN A 54 8.424 0.058 7.414 1.00 24.01 H new ATOM 0 HD22 ASN A 54 7.879 0.160 5.737 1.00 24.01 H new ATOM 913 N TYR A 55 7.140 1.931 2.010 1.00 61.42 N ATOM 914 CA TYR A 55 6.484 2.520 0.835 1.00 53.33 C ATOM 915 C TYR A 55 5.056 2.923 1.210 1.00 42.30 C ATOM 916 O TYR A 55 4.261 2.080 1.634 1.00 14.42 O ATOM 917 CB TYR A 55 6.446 1.518 -0.343 1.00 64.44 C ATOM 918 CG TYR A 55 7.823 1.030 -0.841 1.00 30.11 C ATOM 919 CD1 TYR A 55 8.448 1.619 -1.945 1.00 11.13 C ATOM 920 CD2 TYR A 55 8.486 -0.033 -0.214 1.00 40.50 C ATOM 921 CE1 TYR A 55 9.678 1.163 -2.403 1.00 51.43 C ATOM 922 CE2 TYR A 55 9.711 -0.481 -0.668 1.00 14.14 C ATOM 923 CZ TYR A 55 10.304 0.116 -1.757 1.00 71.52 C ATOM 924 OH TYR A 55 11.529 -0.342 -2.202 1.00 23.12 O ATOM 0 H TYR A 55 6.792 1.004 2.254 1.00 61.42 H new ATOM 0 HA TYR A 55 7.053 3.394 0.519 1.00 53.33 H new ATOM 0 HB2 TYR A 55 5.859 0.650 -0.041 1.00 64.44 H new ATOM 0 HB3 TYR A 55 5.921 1.983 -1.177 1.00 64.44 H new ATOM 0 HD1 TYR A 55 7.966 2.443 -2.450 1.00 11.13 H new ATOM 0 HD2 TYR A 55 8.031 -0.511 0.641 1.00 40.50 H new ATOM 0 HE1 TYR A 55 10.142 1.626 -3.261 1.00 51.43 H new ATOM 0 HE2 TYR A 55 10.204 -1.301 -0.168 1.00 14.14 H new ATOM 0 HH TYR A 55 11.828 -1.082 -1.633 1.00 23.12 H new ATOM 934 N THR A 56 4.752 4.217 1.064 1.00 1.15 N ATOM 935 CA THR A 56 3.404 4.747 1.235 1.00 70.15 C ATOM 936 C THR A 56 2.665 4.666 -0.109 1.00 73.25 C ATOM 937 O THR A 56 2.902 5.472 -1.020 1.00 2.24 O ATOM 938 CB THR A 56 3.454 6.220 1.744 1.00 74.50 C ATOM 939 OG1 THR A 56 4.225 6.279 2.957 1.00 5.44 O ATOM 940 CG2 THR A 56 2.046 6.801 1.997 1.00 43.13 C ATOM 0 H THR A 56 5.443 4.927 0.822 1.00 1.15 H new ATOM 0 HA THR A 56 2.872 4.155 1.980 1.00 70.15 H new ATOM 0 HB THR A 56 3.921 6.823 0.965 1.00 74.50 H new ATOM 0 HG1 THR A 56 4.259 7.204 3.278 1.00 5.44 H new ATOM 0 HG21 THR A 56 2.134 7.828 2.350 1.00 43.13 H new ATOM 0 HG22 THR A 56 1.473 6.784 1.070 1.00 43.13 H new ATOM 0 HG23 THR A 56 1.535 6.201 2.750 1.00 43.13 H new ATOM 948 N VAL A 57 1.792 3.668 -0.228 1.00 2.40 N ATOM 949 CA VAL A 57 0.990 3.445 -1.429 1.00 71.21 C ATOM 950 C VAL A 57 -0.358 4.158 -1.250 1.00 15.21 C ATOM 951 O VAL A 57 -1.212 3.739 -0.455 1.00 14.42 O ATOM 952 CB VAL A 57 0.788 1.916 -1.711 1.00 63.24 C ATOM 953 CG1 VAL A 57 -0.099 1.686 -2.962 1.00 64.22 C ATOM 954 CG2 VAL A 57 2.158 1.201 -1.861 1.00 72.24 C ATOM 0 H VAL A 57 1.620 2.987 0.511 1.00 2.40 H new ATOM 0 HA VAL A 57 1.512 3.854 -2.294 1.00 71.21 H new ATOM 0 HB VAL A 57 0.269 1.483 -0.856 1.00 63.24 H new ATOM 0 HG11 VAL A 57 -0.220 0.616 -3.131 1.00 64.22 H new ATOM 0 HG12 VAL A 57 -1.077 2.141 -2.803 1.00 64.22 H new ATOM 0 HG13 VAL A 57 0.375 2.139 -3.833 1.00 64.22 H new ATOM 0 HG21 VAL A 57 1.996 0.141 -2.056 1.00 72.24 H new ATOM 0 HG22 VAL A 57 2.710 1.642 -2.691 1.00 72.24 H new ATOM 0 HG23 VAL A 57 2.732 1.317 -0.941 1.00 72.24 H new ATOM 964 N GLU A 58 -0.493 5.276 -1.969 1.00 1.33 N ATOM 965 CA GLU A 58 -1.657 6.163 -1.921 1.00 11.01 C ATOM 966 C GLU A 58 -2.714 5.645 -2.903 1.00 4.54 C ATOM 967 O GLU A 58 -2.544 5.754 -4.120 1.00 24.42 O ATOM 968 CB GLU A 58 -1.211 7.602 -2.291 1.00 62.12 C ATOM 969 CG GLU A 58 -0.035 8.131 -1.437 1.00 43.22 C ATOM 970 CD GLU A 58 0.444 9.524 -1.864 1.00 73.21 C ATOM 971 OE1 GLU A 58 1.288 9.610 -2.782 1.00 1.01 O ATOM 972 OE2 GLU A 58 -0.030 10.534 -1.297 1.00 60.21 O ATOM 0 H GLU A 58 0.225 5.597 -2.618 1.00 1.33 H new ATOM 0 HA GLU A 58 -2.088 6.181 -0.920 1.00 11.01 H new ATOM 0 HB2 GLU A 58 -0.923 7.624 -3.342 1.00 62.12 H new ATOM 0 HB3 GLU A 58 -2.061 8.276 -2.179 1.00 62.12 H new ATOM 0 HG2 GLU A 58 -0.340 8.164 -0.391 1.00 43.22 H new ATOM 0 HG3 GLU A 58 0.798 7.431 -1.504 1.00 43.22 H new ATOM 979 N VAL A 59 -3.764 5.015 -2.361 1.00 65.55 N ATOM 980 CA VAL A 59 -4.863 4.414 -3.142 1.00 52.32 C ATOM 981 C VAL A 59 -6.160 5.196 -2.853 1.00 45.52 C ATOM 982 O VAL A 59 -6.497 5.401 -1.690 1.00 61.52 O ATOM 983 CB VAL A 59 -5.052 2.894 -2.760 1.00 60.41 C ATOM 984 CG1 VAL A 59 -6.026 2.194 -3.725 1.00 0.44 C ATOM 985 CG2 VAL A 59 -3.697 2.143 -2.695 1.00 51.21 C ATOM 0 H VAL A 59 -3.880 4.905 -1.354 1.00 65.55 H new ATOM 0 HA VAL A 59 -4.623 4.468 -4.204 1.00 52.32 H new ATOM 0 HB VAL A 59 -5.488 2.865 -1.761 1.00 60.41 H new ATOM 0 HG11 VAL A 59 -6.136 1.149 -3.436 1.00 0.44 H new ATOM 0 HG12 VAL A 59 -6.998 2.686 -3.682 1.00 0.44 H new ATOM 0 HG13 VAL A 59 -5.635 2.251 -4.741 1.00 0.44 H new ATOM 0 HG21 VAL A 59 -3.871 1.100 -2.429 1.00 51.21 H new ATOM 0 HG22 VAL A 59 -3.207 2.193 -3.667 1.00 51.21 H new ATOM 0 HG23 VAL A 59 -3.059 2.607 -1.943 1.00 51.21 H new ATOM 995 N GLU A 60 -6.880 5.640 -3.897 1.00 51.31 N ATOM 996 CA GLU A 60 -8.103 6.458 -3.745 1.00 53.43 C ATOM 997 C GLU A 60 -9.340 5.665 -4.197 1.00 62.41 C ATOM 998 O GLU A 60 -9.238 4.779 -5.059 1.00 3.13 O ATOM 999 CB GLU A 60 -7.959 7.764 -4.550 1.00 24.55 C ATOM 1000 CG GLU A 60 -9.083 8.797 -4.315 1.00 44.43 C ATOM 1001 CD GLU A 60 -8.890 10.082 -5.126 1.00 43.32 C ATOM 1002 OE1 GLU A 60 -7.864 10.764 -4.927 1.00 41.54 O ATOM 1003 OE2 GLU A 60 -9.751 10.408 -5.969 1.00 44.34 O ATOM 0 H GLU A 60 -6.635 5.445 -4.868 1.00 51.31 H new ATOM 0 HA GLU A 60 -8.235 6.711 -2.693 1.00 53.43 H new ATOM 0 HB2 GLU A 60 -7.003 8.225 -4.300 1.00 24.55 H new ATOM 0 HB3 GLU A 60 -7.927 7.518 -5.611 1.00 24.55 H new ATOM 0 HG2 GLU A 60 -10.042 8.349 -4.576 1.00 44.43 H new ATOM 0 HG3 GLU A 60 -9.125 9.045 -3.255 1.00 44.43 H new ATOM 1010 N ARG A 61 -10.499 5.971 -3.577 1.00 44.14 N ATOM 1011 CA ARG A 61 -11.772 5.288 -3.837 1.00 72.24 C ATOM 1012 C ARG A 61 -12.339 5.702 -5.199 1.00 21.51 C ATOM 1013 O ARG A 61 -12.459 6.896 -5.496 1.00 52.45 O ATOM 1014 CB ARG A 61 -12.808 5.614 -2.724 1.00 71.11 C ATOM 1015 CG ARG A 61 -14.186 4.935 -2.926 1.00 3.24 C ATOM 1016 CD ARG A 61 -14.155 3.401 -2.714 1.00 63.22 C ATOM 1017 NE ARG A 61 -14.372 3.033 -1.305 1.00 70.24 N ATOM 1018 CZ ARG A 61 -15.558 2.646 -0.799 1.00 33.33 C ATOM 1019 NH1 ARG A 61 -16.643 2.568 -1.560 1.00 3.31 N ATOM 1020 NH2 ARG A 61 -15.651 2.327 0.462 1.00 64.35 N ATOM 0 H ARG A 61 -10.572 6.708 -2.875 1.00 44.14 H new ATOM 0 HA ARG A 61 -11.580 4.215 -3.842 1.00 72.24 H new ATOM 0 HB2 ARG A 61 -12.400 5.306 -1.761 1.00 71.11 H new ATOM 0 HB3 ARG A 61 -12.950 6.694 -2.679 1.00 71.11 H new ATOM 0 HG2 ARG A 61 -14.904 5.375 -2.234 1.00 3.24 H new ATOM 0 HG3 ARG A 61 -14.543 5.148 -3.934 1.00 3.24 H new ATOM 0 HD2 ARG A 61 -14.922 2.934 -3.332 1.00 63.22 H new ATOM 0 HD3 ARG A 61 -13.194 3.009 -3.047 1.00 63.22 H new ATOM 0 HE ARG A 61 -13.573 3.074 -0.672 1.00 70.24 H new ATOM 0 HH11 ARG A 61 -16.589 2.804 -2.551 1.00 3.31 H new ATOM 0 HH12 ARG A 61 -17.531 2.272 -1.154 1.00 3.31 H new ATOM 0 HH21 ARG A 61 -14.827 2.371 1.061 1.00 64.35 H new ATOM 0 HH22 ARG A 61 -16.548 2.033 0.849 1.00 64.35 H new ATOM 1034 N GLN A 62 -12.671 4.695 -6.004 1.00 52.51 N ATOM 1035 CA GLN A 62 -13.383 4.850 -7.279 1.00 34.40 C ATOM 1036 C GLN A 62 -14.670 3.992 -7.213 1.00 30.15 C ATOM 1037 O GLN A 62 -14.645 2.798 -7.535 1.00 63.11 O ATOM 1038 CB GLN A 62 -12.456 4.433 -8.486 1.00 11.32 C ATOM 1039 CG GLN A 62 -12.314 5.494 -9.608 1.00 31.42 C ATOM 1040 CD GLN A 62 -13.605 5.817 -10.385 1.00 23.32 C ATOM 1041 OE1 GLN A 62 -14.717 5.776 -9.859 1.00 23.53 O ATOM 1042 NE2 GLN A 62 -13.465 6.134 -11.661 1.00 2.30 N ATOM 0 H GLN A 62 -12.449 3.724 -5.786 1.00 52.51 H new ATOM 0 HA GLN A 62 -13.655 5.893 -7.444 1.00 34.40 H new ATOM 0 HB2 GLN A 62 -11.464 4.203 -8.098 1.00 11.32 H new ATOM 0 HB3 GLN A 62 -12.848 3.515 -8.924 1.00 11.32 H new ATOM 0 HG2 GLN A 62 -11.937 6.416 -9.166 1.00 31.42 H new ATOM 0 HG3 GLN A 62 -11.561 5.149 -10.317 1.00 31.42 H new ATOM 0 HE21 GLN A 62 -12.536 6.163 -12.080 1.00 2.30 H new ATOM 0 HE22 GLN A 62 -14.286 6.350 -12.226 1.00 2.30 H new ATOM 1051 N GLY A 63 -15.772 4.610 -6.743 1.00 54.25 N ATOM 1052 CA GLY A 63 -17.057 3.927 -6.560 1.00 34.31 C ATOM 1053 C GLY A 63 -17.045 2.959 -5.375 1.00 25.50 C ATOM 1054 O GLY A 63 -17.121 3.390 -4.224 1.00 52.24 O ATOM 0 H GLY A 63 -15.791 5.596 -6.481 1.00 54.25 H new ATOM 0 HA2 GLY A 63 -17.841 4.669 -6.410 1.00 34.31 H new ATOM 0 HA3 GLY A 63 -17.306 3.380 -7.469 1.00 34.31 H new ATOM 1058 N ASN A 64 -16.947 1.646 -5.663 1.00 74.43 N ATOM 1059 CA ASN A 64 -16.791 0.574 -4.638 1.00 53.45 C ATOM 1060 C ASN A 64 -15.477 -0.195 -4.867 1.00 32.11 C ATOM 1061 O ASN A 64 -15.191 -1.155 -4.157 1.00 61.35 O ATOM 1062 CB ASN A 64 -17.995 -0.416 -4.652 1.00 33.12 C ATOM 1063 CG ASN A 64 -19.314 0.200 -4.174 1.00 0.25 C ATOM 1064 OD1 ASN A 64 -19.337 1.102 -3.332 1.00 54.43 O ATOM 1065 ND2 ASN A 64 -20.427 -0.299 -4.694 1.00 11.21 N ATOM 0 H ASN A 64 -16.973 1.289 -6.618 1.00 74.43 H new ATOM 0 HA ASN A 64 -16.764 1.055 -3.660 1.00 53.45 H new ATOM 0 HB2 ASN A 64 -18.129 -0.795 -5.665 1.00 33.12 H new ATOM 0 HB3 ASN A 64 -17.756 -1.272 -4.021 1.00 33.12 H new ATOM 0 HD21 ASN A 64 -21.334 0.063 -4.400 1.00 11.21 H new ATOM 0 HD22 ASN A 64 -20.376 -1.044 -5.388 1.00 11.21 H new ATOM 1072 N THR A 65 -14.687 0.235 -5.861 1.00 54.11 N ATOM 1073 CA THR A 65 -13.361 -0.341 -6.155 1.00 32.22 C ATOM 1074 C THR A 65 -12.268 0.702 -5.870 1.00 5.30 C ATOM 1075 O THR A 65 -12.569 1.839 -5.490 1.00 41.21 O ATOM 1076 CB THR A 65 -13.272 -0.862 -7.630 1.00 23.40 C ATOM 1077 OG1 THR A 65 -13.778 0.133 -8.539 1.00 63.25 O ATOM 1078 CG2 THR A 65 -14.035 -2.190 -7.812 1.00 64.43 C ATOM 0 H THR A 65 -14.948 0.996 -6.488 1.00 54.11 H new ATOM 0 HA THR A 65 -13.208 -1.202 -5.504 1.00 32.22 H new ATOM 0 HB THR A 65 -12.222 -1.051 -7.853 1.00 23.40 H new ATOM 0 HG1 THR A 65 -13.865 0.990 -8.071 1.00 63.25 H new ATOM 0 HG21 THR A 65 -13.950 -2.519 -8.848 1.00 64.43 H new ATOM 0 HG22 THR A 65 -13.609 -2.948 -7.154 1.00 64.43 H new ATOM 0 HG23 THR A 65 -15.086 -2.043 -7.563 1.00 64.43 H new ATOM 1086 N TRP A 66 -11.000 0.293 -6.026 1.00 43.23 N ATOM 1087 CA TRP A 66 -9.824 1.109 -5.688 1.00 35.21 C ATOM 1088 C TRP A 66 -8.962 1.376 -6.918 1.00 4.03 C ATOM 1089 O TRP A 66 -8.965 0.588 -7.868 1.00 42.55 O ATOM 1090 CB TRP A 66 -9.004 0.383 -4.593 1.00 61.21 C ATOM 1091 CG TRP A 66 -9.742 0.358 -3.287 1.00 23.11 C ATOM 1092 CD1 TRP A 66 -10.454 -0.671 -2.745 1.00 42.52 C ATOM 1093 CD2 TRP A 66 -9.893 1.469 -2.394 1.00 72.12 C ATOM 1094 NE1 TRP A 66 -11.028 -0.262 -1.572 1.00 5.33 N ATOM 1095 CE2 TRP A 66 -10.704 1.050 -1.346 1.00 74.01 C ATOM 1096 CE3 TRP A 66 -9.414 2.776 -2.386 1.00 71.32 C ATOM 1097 CZ2 TRP A 66 -11.057 1.890 -0.305 1.00 62.53 C ATOM 1098 CZ3 TRP A 66 -9.762 3.615 -1.347 1.00 63.04 C ATOM 1099 CH2 TRP A 66 -10.582 3.168 -0.320 1.00 55.42 C ATOM 0 H TRP A 66 -10.759 -0.627 -6.396 1.00 43.23 H new ATOM 0 HA TRP A 66 -10.160 2.076 -5.313 1.00 35.21 H new ATOM 0 HB2 TRP A 66 -8.790 -0.637 -4.912 1.00 61.21 H new ATOM 0 HB3 TRP A 66 -8.045 0.884 -4.462 1.00 61.21 H new ATOM 0 HD1 TRP A 66 -10.550 -1.657 -3.175 1.00 42.52 H new ATOM 0 HE1 TRP A 66 -11.605 -0.842 -0.963 1.00 5.33 H new ATOM 0 HE3 TRP A 66 -8.777 3.129 -3.184 1.00 71.32 H new ATOM 0 HZ2 TRP A 66 -11.691 1.543 0.497 1.00 62.53 H new ATOM 0 HZ3 TRP A 66 -9.393 4.630 -1.333 1.00 63.04 H new ATOM 0 HH2 TRP A 66 -10.848 3.843 0.480 1.00 55.42 H new ATOM 1110 N THR A 67 -8.231 2.499 -6.875 1.00 42.03 N ATOM 1111 CA THR A 67 -7.267 2.892 -7.901 1.00 64.35 C ATOM 1112 C THR A 67 -6.000 3.433 -7.209 1.00 13.33 C ATOM 1113 O THR A 67 -6.062 4.410 -6.454 1.00 55.51 O ATOM 1114 CB THR A 67 -7.867 3.951 -8.898 1.00 11.42 C ATOM 1115 OG1 THR A 67 -6.848 4.377 -9.817 1.00 54.22 O ATOM 1116 CG2 THR A 67 -8.487 5.179 -8.189 1.00 0.11 C ATOM 0 H THR A 67 -8.298 3.169 -6.109 1.00 42.03 H new ATOM 0 HA THR A 67 -7.013 2.017 -8.500 1.00 64.35 H new ATOM 0 HB THR A 67 -8.681 3.459 -9.431 1.00 11.42 H new ATOM 0 HG1 THR A 67 -7.223 5.035 -10.439 1.00 54.22 H new ATOM 0 HG21 THR A 67 -8.882 5.869 -8.935 1.00 0.11 H new ATOM 0 HG22 THR A 67 -9.294 4.852 -7.534 1.00 0.11 H new ATOM 0 HG23 THR A 67 -7.722 5.683 -7.598 1.00 0.11 H new ATOM 1124 N VAL A 68 -4.862 2.753 -7.421 1.00 34.13 N ATOM 1125 CA VAL A 68 -3.569 3.195 -6.882 1.00 2.30 C ATOM 1126 C VAL A 68 -3.129 4.471 -7.607 1.00 4.32 C ATOM 1127 O VAL A 68 -2.798 4.433 -8.800 1.00 13.00 O ATOM 1128 CB VAL A 68 -2.459 2.096 -7.008 1.00 34.00 C ATOM 1129 CG1 VAL A 68 -1.094 2.597 -6.461 1.00 74.45 C ATOM 1130 CG2 VAL A 68 -2.897 0.794 -6.304 1.00 55.30 C ATOM 0 H VAL A 68 -4.813 1.891 -7.965 1.00 34.13 H new ATOM 0 HA VAL A 68 -3.702 3.391 -5.818 1.00 2.30 H new ATOM 0 HB VAL A 68 -2.324 1.881 -8.068 1.00 34.00 H new ATOM 0 HG11 VAL A 68 -0.349 1.808 -6.565 1.00 74.45 H new ATOM 0 HG12 VAL A 68 -0.776 3.474 -7.025 1.00 74.45 H new ATOM 0 HG13 VAL A 68 -1.199 2.861 -5.409 1.00 74.45 H new ATOM 0 HG21 VAL A 68 -2.112 0.045 -6.404 1.00 55.30 H new ATOM 0 HG22 VAL A 68 -3.076 0.994 -5.248 1.00 55.30 H new ATOM 0 HG23 VAL A 68 -3.813 0.423 -6.763 1.00 55.30 H new ATOM 1140 N LYS A 69 -3.189 5.596 -6.882 1.00 20.44 N ATOM 1141 CA LYS A 69 -2.763 6.897 -7.388 1.00 63.14 C ATOM 1142 C LYS A 69 -1.249 6.913 -7.600 1.00 41.03 C ATOM 1143 O LYS A 69 -0.775 7.114 -8.725 1.00 25.13 O ATOM 1144 CB LYS A 69 -3.185 8.022 -6.401 1.00 42.32 C ATOM 1145 CG LYS A 69 -4.712 8.213 -6.257 1.00 23.33 C ATOM 1146 CD LYS A 69 -5.393 8.628 -7.586 1.00 45.13 C ATOM 1147 CE LYS A 69 -4.828 9.944 -8.156 1.00 60.02 C ATOM 1148 NZ LYS A 69 -5.430 10.293 -9.461 1.00 23.35 N ATOM 0 H LYS A 69 -3.537 5.624 -5.924 1.00 20.44 H new ATOM 0 HA LYS A 69 -3.249 7.076 -8.347 1.00 63.14 H new ATOM 0 HB2 LYS A 69 -2.766 7.802 -5.419 1.00 42.32 H new ATOM 0 HB3 LYS A 69 -2.744 8.962 -6.733 1.00 42.32 H new ATOM 0 HG2 LYS A 69 -5.158 7.285 -5.900 1.00 23.33 H new ATOM 0 HG3 LYS A 69 -4.909 8.973 -5.500 1.00 23.33 H new ATOM 0 HD2 LYS A 69 -5.263 7.833 -8.320 1.00 45.13 H new ATOM 0 HD3 LYS A 69 -6.465 8.738 -7.422 1.00 45.13 H new ATOM 0 HE2 LYS A 69 -5.009 10.752 -7.447 1.00 60.02 H new ATOM 0 HE3 LYS A 69 -3.748 9.855 -8.269 1.00 60.02 H new ATOM 0 HZ1 LYS A 69 -5.020 11.185 -9.805 1.00 23.35 H new ATOM 0 HZ2 LYS A 69 -5.236 9.535 -10.146 1.00 23.35 H new ATOM 0 HZ3 LYS A 69 -6.458 10.405 -9.350 1.00 23.35 H new ATOM 1162 N ARG A 70 -0.501 6.636 -6.526 1.00 53.20 N ATOM 1163 CA ARG A 70 0.960 6.770 -6.537 1.00 33.33 C ATOM 1164 C ARG A 70 1.617 5.793 -5.555 1.00 51.34 C ATOM 1165 O ARG A 70 1.094 5.562 -4.460 1.00 44.12 O ATOM 1166 CB ARG A 70 1.351 8.233 -6.176 1.00 24.32 C ATOM 1167 CG ARG A 70 2.873 8.487 -6.110 1.00 74.20 C ATOM 1168 CD ARG A 70 3.247 9.922 -5.720 1.00 31.22 C ATOM 1169 NE ARG A 70 4.697 10.036 -5.493 1.00 41.53 N ATOM 1170 CZ ARG A 70 5.365 11.175 -5.282 1.00 13.35 C ATOM 1171 NH1 ARG A 70 4.746 12.352 -5.261 1.00 12.11 N ATOM 1172 NH2 ARG A 70 6.669 11.122 -5.089 1.00 64.54 N ATOM 0 H ARG A 70 -0.885 6.317 -5.636 1.00 53.20 H new ATOM 0 HA ARG A 70 1.319 6.530 -7.538 1.00 33.33 H new ATOM 0 HB2 ARG A 70 0.914 8.906 -6.914 1.00 24.32 H new ATOM 0 HB3 ARG A 70 0.910 8.487 -5.212 1.00 24.32 H new ATOM 0 HG2 ARG A 70 3.316 7.798 -5.390 1.00 74.20 H new ATOM 0 HG3 ARG A 70 3.312 8.259 -7.081 1.00 74.20 H new ATOM 0 HD2 ARG A 70 2.942 10.610 -6.508 1.00 31.22 H new ATOM 0 HD3 ARG A 70 2.708 10.212 -4.818 1.00 31.22 H new ATOM 0 HE ARG A 70 5.239 9.172 -5.497 1.00 41.53 H new ATOM 0 HH11 ARG A 70 3.738 12.401 -5.408 1.00 12.11 H new ATOM 0 HH12 ARG A 70 5.279 13.206 -5.098 1.00 12.11 H new ATOM 0 HH21 ARG A 70 7.150 10.223 -5.102 1.00 64.54 H new ATOM 0 HH22 ARG A 70 7.196 11.980 -4.926 1.00 64.54 H new ATOM 1186 N ILE A 71 2.767 5.216 -5.970 1.00 34.01 N ATOM 1187 CA ILE A 71 3.683 4.518 -5.056 1.00 51.35 C ATOM 1188 C ILE A 71 4.744 5.526 -4.591 1.00 34.10 C ATOM 1189 O ILE A 71 5.632 5.895 -5.368 1.00 75.30 O ATOM 1190 CB ILE A 71 4.422 3.289 -5.724 1.00 72.25 C ATOM 1191 CG1 ILE A 71 3.417 2.334 -6.445 1.00 51.55 C ATOM 1192 CG2 ILE A 71 5.266 2.526 -4.655 1.00 75.13 C ATOM 1193 CD1 ILE A 71 2.365 1.734 -5.554 1.00 12.45 C ATOM 0 H ILE A 71 3.080 5.224 -6.941 1.00 34.01 H new ATOM 0 HA ILE A 71 3.088 4.124 -4.232 1.00 51.35 H new ATOM 0 HB ILE A 71 5.097 3.672 -6.489 1.00 72.25 H new ATOM 0 HG12 ILE A 71 2.923 2.886 -7.245 1.00 51.55 H new ATOM 0 HG13 ILE A 71 3.979 1.526 -6.915 1.00 51.55 H new ATOM 0 HG21 ILE A 71 5.771 1.682 -5.125 1.00 75.13 H new ATOM 0 HG22 ILE A 71 6.008 3.201 -4.228 1.00 75.13 H new ATOM 0 HG23 ILE A 71 4.609 2.162 -3.865 1.00 75.13 H new ATOM 0 HD11 ILE A 71 1.715 1.087 -6.143 1.00 12.45 H new ATOM 0 HD12 ILE A 71 2.844 1.149 -4.768 1.00 12.45 H new ATOM 0 HD13 ILE A 71 1.772 2.530 -5.104 1.00 12.45 H new ATOM 1205 N THR A 72 4.634 5.987 -3.348 1.00 4.52 N ATOM 1206 CA THR A 72 5.640 6.849 -2.727 1.00 75.11 C ATOM 1207 C THR A 72 6.585 5.977 -1.885 1.00 4.23 C ATOM 1208 O THR A 72 6.131 5.126 -1.127 1.00 4.41 O ATOM 1209 CB THR A 72 4.965 7.940 -1.838 1.00 33.11 C ATOM 1210 OG1 THR A 72 4.048 8.697 -2.639 1.00 74.22 O ATOM 1211 CG2 THR A 72 5.998 8.895 -1.205 1.00 60.13 C ATOM 0 H THR A 72 3.843 5.774 -2.740 1.00 4.52 H new ATOM 0 HA THR A 72 6.207 7.362 -3.504 1.00 75.11 H new ATOM 0 HB THR A 72 4.442 7.434 -1.027 1.00 33.11 H new ATOM 0 HG1 THR A 72 3.166 8.701 -2.211 1.00 74.22 H new ATOM 0 HG21 THR A 72 5.482 9.637 -0.595 1.00 60.13 H new ATOM 0 HG22 THR A 72 6.685 8.325 -0.579 1.00 60.13 H new ATOM 0 HG23 THR A 72 6.558 9.399 -1.993 1.00 60.13 H new ATOM 1219 N ARG A 73 7.892 6.166 -2.063 1.00 41.43 N ATOM 1220 CA ARG A 73 8.928 5.532 -1.237 1.00 11.01 C ATOM 1221 C ARG A 73 9.386 6.532 -0.168 1.00 64.35 C ATOM 1222 O ARG A 73 9.346 7.748 -0.397 1.00 73.25 O ATOM 1223 CB ARG A 73 10.122 5.104 -2.131 1.00 72.25 C ATOM 1224 CG ARG A 73 11.275 4.393 -1.384 1.00 22.00 C ATOM 1225 CD ARG A 73 12.422 3.999 -2.319 1.00 32.53 C ATOM 1226 NE ARG A 73 13.535 3.345 -1.609 1.00 64.23 N ATOM 1227 CZ ARG A 73 14.664 2.905 -2.194 1.00 5.34 C ATOM 1228 NH1 ARG A 73 14.849 3.041 -3.504 1.00 1.44 N ATOM 1229 NH2 ARG A 73 15.609 2.341 -1.456 1.00 44.45 N ATOM 0 H ARG A 73 8.269 6.770 -2.793 1.00 41.43 H new ATOM 0 HA ARG A 73 8.528 4.642 -0.751 1.00 11.01 H new ATOM 0 HB2 ARG A 73 9.752 4.441 -2.913 1.00 72.25 H new ATOM 0 HB3 ARG A 73 10.521 5.989 -2.627 1.00 72.25 H new ATOM 0 HG2 ARG A 73 11.657 5.049 -0.602 1.00 22.00 H new ATOM 0 HG3 ARG A 73 10.889 3.501 -0.891 1.00 22.00 H new ATOM 0 HD2 ARG A 73 12.043 3.327 -3.089 1.00 32.53 H new ATOM 0 HD3 ARG A 73 12.793 4.889 -2.827 1.00 32.53 H new ATOM 0 HE ARG A 73 13.443 3.216 -0.601 1.00 64.23 H new ATOM 0 HH11 ARG A 73 14.131 3.483 -4.077 1.00 1.44 H new ATOM 0 HH12 ARG A 73 15.709 2.703 -3.935 1.00 1.44 H new ATOM 0 HH21 ARG A 73 15.479 2.242 -0.449 1.00 44.45 H new ATOM 0 HH22 ARG A 73 16.467 2.006 -1.895 1.00 44.45 H new ATOM 1243 N THR A 74 9.781 6.013 1.004 1.00 10.32 N ATOM 1244 CA THR A 74 10.441 6.804 2.048 1.00 33.42 C ATOM 1245 C THR A 74 11.785 7.351 1.499 1.00 11.03 C ATOM 1246 O THR A 74 12.617 6.582 0.992 1.00 30.34 O ATOM 1247 CB THR A 74 10.651 5.941 3.356 1.00 51.45 C ATOM 1248 OG1 THR A 74 11.252 6.730 4.391 1.00 31.25 O ATOM 1249 CG2 THR A 74 11.504 4.672 3.113 1.00 25.43 C ATOM 0 H THR A 74 9.651 5.032 1.253 1.00 10.32 H new ATOM 0 HA THR A 74 9.808 7.648 2.323 1.00 33.42 H new ATOM 0 HB THR A 74 9.659 5.613 3.667 1.00 51.45 H new ATOM 0 HG1 THR A 74 11.373 6.180 5.193 1.00 31.25 H new ATOM 0 HG21 THR A 74 11.612 4.122 4.048 1.00 25.43 H new ATOM 0 HG22 THR A 74 11.012 4.039 2.374 1.00 25.43 H new ATOM 0 HG23 THR A 74 12.489 4.960 2.745 1.00 25.43 H new