USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 180:sc= 0.871 USER MOD Set 1.2: A 36 THR OG1 : rot 87:sc= 0.999 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 18:sc= -1.28 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -148:sc= -0.542 USER MOD Single : A 19 THR OG1 : rot -139:sc= 1 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= -0.478 (180deg=-1.43) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 146:sc= -0.6 (180deg=-2.99!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -9.82! C(o=-9.8!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -74:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.6!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc=-0.00535 (180deg=-0.126) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.98! C(o=-7!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.588 5.700 -5.238 1.00 22.22 N ATOM 88 CA LYS A 6 8.930 5.550 -5.790 1.00 14.35 C ATOM 89 C LYS A 6 9.186 6.583 -6.883 1.00 25.43 C ATOM 90 O LYS A 6 10.331 6.956 -7.139 1.00 74.44 O ATOM 91 CB LYS A 6 9.118 4.139 -6.351 1.00 51.34 C ATOM 92 CG LYS A 6 8.736 4.012 -7.816 1.00 65.10 C ATOM 93 CD LYS A 6 9.928 4.259 -8.726 1.00 51.51 C ATOM 94 CE LYS A 6 10.171 3.083 -9.658 1.00 62.44 C ATOM 95 NZ LYS A 6 10.498 3.529 -11.041 1.00 24.31 N ATOM 0 HA LYS A 6 9.648 5.712 -4.986 1.00 14.35 H new ATOM 0 HB2 LYS A 6 10.160 3.844 -6.229 1.00 51.34 H new ATOM 0 HB3 LYS A 6 8.519 3.441 -5.766 1.00 51.34 H new ATOM 0 HG2 LYS A 6 8.334 3.016 -8.003 1.00 65.10 H new ATOM 0 HG3 LYS A 6 7.945 4.724 -8.050 1.00 65.10 H new ATOM 0 HD2 LYS A 6 9.758 5.161 -9.314 1.00 51.51 H new ATOM 0 HD3 LYS A 6 10.818 4.436 -8.122 1.00 51.51 H new ATOM 0 HE2 LYS A 6 10.988 2.475 -9.270 1.00 62.44 H new ATOM 0 HE3 LYS A 6 9.285 2.449 -9.681 1.00 62.44 H new ATOM 0 HZ1 LYS A 6 10.657 2.698 -11.645 1.00 24.31 H new ATOM 0 HZ2 LYS A 6 9.708 4.088 -11.421 1.00 24.31 H new ATOM 0 HZ3 LYS A 6 11.358 4.113 -11.023 1.00 24.31 H new ATOM 109 N GLU A 7 8.114 7.041 -7.522 1.00 25.43 N ATOM 110 CA GLU A 7 8.226 8.031 -8.586 1.00 73.35 C ATOM 111 C GLU A 7 8.304 9.442 -8.011 1.00 71.12 C ATOM 112 O GLU A 7 8.832 10.354 -8.647 1.00 2.32 O ATOM 113 CB GLU A 7 7.034 7.922 -9.540 1.00 43.35 C ATOM 114 CG GLU A 7 6.760 6.504 -10.013 1.00 13.53 C ATOM 115 CD GLU A 7 5.792 6.455 -11.179 1.00 11.20 C ATOM 116 OE1 GLU A 7 6.174 6.892 -12.285 1.00 21.20 O ATOM 117 OE2 GLU A 7 4.653 5.981 -10.986 1.00 62.31 O ATOM 0 H GLU A 7 7.159 6.743 -7.321 1.00 25.43 H new ATOM 0 HA GLU A 7 9.144 7.832 -9.138 1.00 73.35 H new ATOM 0 HB2 GLU A 7 6.145 8.308 -9.042 1.00 43.35 H new ATOM 0 HB3 GLU A 7 7.215 8.557 -10.407 1.00 43.35 H new ATOM 0 HG2 GLU A 7 7.699 6.035 -10.305 1.00 13.53 H new ATOM 0 HG3 GLU A 7 6.356 5.921 -9.186 1.00 13.53 H new ATOM 124 N ARG A 8 7.774 9.613 -6.805 1.00 34.14 N ATOM 125 CA ARG A 8 7.781 10.912 -6.144 1.00 4.42 C ATOM 126 C ARG A 8 9.210 11.392 -5.905 1.00 10.25 C ATOM 127 O ARG A 8 9.487 12.592 -5.931 1.00 70.25 O ATOM 128 CB ARG A 8 7.028 10.837 -4.815 1.00 30.05 C ATOM 129 CG ARG A 8 6.379 12.149 -4.407 1.00 53.51 C ATOM 130 CD ARG A 8 5.202 11.922 -3.471 1.00 61.10 C ATOM 131 NE ARG A 8 5.515 12.302 -2.096 1.00 51.21 N ATOM 132 CZ ARG A 8 4.593 12.498 -1.160 1.00 2.20 C ATOM 133 NH1 ARG A 8 3.308 12.350 -1.449 1.00 52.13 N ATOM 134 NH2 ARG A 8 4.957 12.843 0.069 1.00 74.31 N ATOM 0 H ARG A 8 7.334 8.868 -6.265 1.00 34.14 H new ATOM 0 HA ARG A 8 7.280 11.626 -6.797 1.00 4.42 H new ATOM 0 HB2 ARG A 8 6.259 10.068 -4.886 1.00 30.05 H new ATOM 0 HB3 ARG A 8 7.720 10.525 -4.032 1.00 30.05 H new ATOM 0 HG2 ARG A 8 7.117 12.784 -3.917 1.00 53.51 H new ATOM 0 HG3 ARG A 8 6.041 12.681 -5.296 1.00 53.51 H new ATOM 0 HD2 ARG A 8 4.345 12.498 -3.820 1.00 61.10 H new ATOM 0 HD3 ARG A 8 4.913 10.871 -3.500 1.00 61.10 H new ATOM 0 HE ARG A 8 6.495 12.424 -1.840 1.00 51.21 H new ATOM 0 HH11 ARG A 8 3.025 12.085 -2.392 1.00 52.13 H new ATOM 0 HH12 ARG A 8 2.602 12.501 -0.728 1.00 52.13 H new ATOM 0 HH21 ARG A 8 5.945 12.958 0.295 1.00 74.31 H new ATOM 0 HH22 ARG A 8 4.249 12.993 0.787 1.00 74.31 H new ATOM 148 N THR A 9 10.115 10.447 -5.670 1.00 32.24 N ATOM 149 CA THR A 9 11.514 10.772 -5.424 1.00 10.22 C ATOM 150 C THR A 9 12.265 10.994 -6.732 1.00 30.43 C ATOM 151 O THR A 9 13.255 11.724 -6.773 1.00 44.15 O ATOM 152 CB THR A 9 12.217 9.660 -4.623 1.00 62.12 C ATOM 153 OG1 THR A 9 13.604 9.975 -4.461 1.00 5.43 O ATOM 154 CG2 THR A 9 12.076 8.317 -5.324 1.00 10.02 C ATOM 0 H THR A 9 9.903 9.450 -5.645 1.00 32.24 H new ATOM 0 HA THR A 9 11.527 11.693 -4.840 1.00 10.22 H new ATOM 0 HB THR A 9 11.743 9.593 -3.644 1.00 62.12 H new ATOM 0 HG1 THR A 9 13.745 10.930 -4.632 1.00 5.43 H new ATOM 0 HG21 THR A 9 12.580 7.547 -4.740 1.00 10.02 H new ATOM 0 HG22 THR A 9 11.020 8.066 -5.420 1.00 10.02 H new ATOM 0 HG23 THR A 9 12.527 8.375 -6.315 1.00 10.02 H new ATOM 162 N ILE A 10 11.788 10.360 -7.797 1.00 75.53 N ATOM 163 CA ILE A 10 12.414 10.489 -9.107 1.00 53.41 C ATOM 164 C ILE A 10 12.609 11.955 -9.480 1.00 52.12 C ATOM 165 O ILE A 10 13.682 12.355 -9.932 1.00 71.14 O ATOM 166 CB ILE A 10 11.578 9.800 -10.202 1.00 21.45 C ATOM 167 CG1 ILE A 10 11.621 8.280 -10.025 1.00 43.41 C ATOM 168 CG2 ILE A 10 12.084 10.193 -11.581 1.00 65.33 C ATOM 169 CD1 ILE A 10 13.006 7.693 -10.183 1.00 22.11 C ATOM 0 H ILE A 10 10.970 9.751 -7.779 1.00 75.53 H new ATOM 0 HA ILE A 10 13.386 9.999 -9.042 1.00 53.41 H new ATOM 0 HB ILE A 10 10.543 10.129 -10.110 1.00 21.45 H new ATOM 0 HG12 ILE A 10 11.238 8.026 -9.036 1.00 43.41 H new ATOM 0 HG13 ILE A 10 10.954 7.818 -10.753 1.00 43.41 H new ATOM 0 HG21 ILE A 10 11.483 9.698 -12.344 1.00 65.33 H new ATOM 0 HG22 ILE A 10 12.007 11.273 -11.703 1.00 65.33 H new ATOM 0 HG23 ILE A 10 13.126 9.890 -11.686 1.00 65.33 H new ATOM 0 HD11 ILE A 10 12.961 6.613 -10.045 1.00 22.11 H new ATOM 0 HD12 ILE A 10 13.384 7.916 -11.181 1.00 22.11 H new ATOM 0 HD13 ILE A 10 13.672 8.127 -9.437 1.00 22.11 H new ATOM 181 N LYS A 11 11.564 12.753 -9.286 1.00 45.32 N ATOM 182 CA LYS A 11 11.620 14.176 -9.599 1.00 0.42 C ATOM 183 C LYS A 11 12.694 14.874 -8.770 1.00 60.12 C ATOM 184 O LYS A 11 13.440 15.710 -9.281 1.00 72.12 O ATOM 185 CB LYS A 11 10.260 14.829 -9.343 1.00 54.14 C ATOM 186 CG LYS A 11 9.092 14.047 -9.920 1.00 0.21 C ATOM 187 CD LYS A 11 7.782 14.801 -9.759 1.00 65.00 C ATOM 188 CE LYS A 11 6.589 13.858 -9.792 1.00 42.44 C ATOM 189 NZ LYS A 11 5.546 14.248 -8.803 1.00 45.54 N ATOM 0 H LYS A 11 10.668 12.438 -8.913 1.00 45.32 H new ATOM 0 HA LYS A 11 11.874 14.281 -10.654 1.00 0.42 H new ATOM 0 HB2 LYS A 11 10.116 14.941 -8.268 1.00 54.14 H new ATOM 0 HB3 LYS A 11 10.262 15.832 -9.770 1.00 54.14 H new ATOM 0 HG2 LYS A 11 9.272 13.850 -10.977 1.00 0.21 H new ATOM 0 HG3 LYS A 11 9.020 13.080 -9.423 1.00 0.21 H new ATOM 0 HD2 LYS A 11 7.789 15.348 -8.816 1.00 65.00 H new ATOM 0 HD3 LYS A 11 7.686 15.539 -10.555 1.00 65.00 H new ATOM 0 HE2 LYS A 11 6.157 13.854 -10.793 1.00 42.44 H new ATOM 0 HE3 LYS A 11 6.924 12.842 -9.585 1.00 42.44 H new ATOM 0 HZ1 LYS A 11 4.750 13.581 -8.857 1.00 45.54 H new ATOM 0 HZ2 LYS A 11 5.951 14.228 -7.845 1.00 45.54 H new ATOM 0 HZ3 LYS A 11 5.208 15.208 -9.015 1.00 45.54 H new ATOM 203 N ILE A 12 12.768 14.524 -7.490 1.00 53.15 N ATOM 204 CA ILE A 12 13.752 15.115 -6.593 1.00 3.21 C ATOM 205 C ILE A 12 15.169 14.721 -6.995 1.00 44.23 C ATOM 206 O ILE A 12 16.015 15.578 -7.249 1.00 52.12 O ATOM 207 CB ILE A 12 13.509 14.691 -5.132 1.00 52.44 C ATOM 208 CG1 ILE A 12 12.112 15.121 -4.680 1.00 75.41 C ATOM 209 CG2 ILE A 12 14.572 15.289 -4.223 1.00 65.43 C ATOM 210 CD1 ILE A 12 11.785 14.716 -3.259 1.00 45.15 C ATOM 0 H ILE A 12 12.158 13.834 -7.052 1.00 53.15 H new ATOM 0 HA ILE A 12 13.641 16.196 -6.672 1.00 3.21 H new ATOM 0 HB ILE A 12 13.574 13.605 -5.069 1.00 52.44 H new ATOM 0 HG12 ILE A 12 12.027 16.204 -4.769 1.00 75.41 H new ATOM 0 HG13 ILE A 12 11.372 14.687 -5.352 1.00 75.41 H new ATOM 0 HG21 ILE A 12 14.387 14.980 -3.194 1.00 65.43 H new ATOM 0 HG22 ILE A 12 15.556 14.939 -4.535 1.00 65.43 H new ATOM 0 HG23 ILE A 12 14.536 16.376 -4.288 1.00 65.43 H new ATOM 0 HD11 ILE A 12 10.780 15.053 -3.007 1.00 45.15 H new ATOM 0 HD12 ILE A 12 11.837 13.631 -3.169 1.00 45.15 H new ATOM 0 HD13 ILE A 12 12.503 15.171 -2.577 1.00 45.15 H new ATOM 222 N GLY A 13 15.422 13.417 -7.053 1.00 35.11 N ATOM 223 CA GLY A 13 16.737 12.931 -7.427 1.00 0.52 C ATOM 224 C GLY A 13 17.212 13.502 -8.748 1.00 54.34 C ATOM 225 O GLY A 13 18.409 13.705 -8.952 1.00 71.52 O ATOM 0 H GLY A 13 14.739 12.688 -6.847 1.00 35.11 H new ATOM 0 HA2 GLY A 13 17.452 13.188 -6.645 1.00 0.52 H new ATOM 0 HA3 GLY A 13 16.714 11.843 -7.492 1.00 0.52 H new ATOM 229 N LYS A 14 16.271 13.762 -9.651 1.00 24.13 N ATOM 230 CA LYS A 14 16.599 14.312 -10.961 1.00 14.54 C ATOM 231 C LYS A 14 16.687 15.834 -10.905 1.00 14.24 C ATOM 232 O LYS A 14 17.359 16.457 -11.726 1.00 44.42 O ATOM 233 CB LYS A 14 15.549 13.889 -11.991 1.00 42.30 C ATOM 234 CG LYS A 14 15.471 12.387 -12.198 1.00 23.41 C ATOM 235 CD LYS A 14 15.952 11.989 -13.583 1.00 60.23 C ATOM 236 CE LYS A 14 15.508 10.579 -13.944 1.00 3.31 C ATOM 237 NZ LYS A 14 14.605 10.568 -15.128 1.00 23.10 N ATOM 0 H LYS A 14 15.275 13.600 -9.499 1.00 24.13 H new ATOM 0 HA LYS A 14 17.571 13.920 -11.260 1.00 14.54 H new ATOM 0 HB2 LYS A 14 14.573 14.255 -11.673 1.00 42.30 H new ATOM 0 HB3 LYS A 14 15.774 14.368 -12.944 1.00 42.30 H new ATOM 0 HG2 LYS A 14 16.075 11.883 -11.443 1.00 23.41 H new ATOM 0 HG3 LYS A 14 14.443 12.053 -12.059 1.00 23.41 H new ATOM 0 HD2 LYS A 14 15.565 12.693 -14.320 1.00 60.23 H new ATOM 0 HD3 LYS A 14 17.040 12.051 -13.623 1.00 60.23 H new ATOM 0 HE2 LYS A 14 16.384 9.964 -14.150 1.00 3.31 H new ATOM 0 HE3 LYS A 14 14.996 10.130 -13.093 1.00 3.31 H new ATOM 0 HZ1 LYS A 14 14.325 9.590 -15.342 1.00 23.10 H new ATOM 0 HZ2 LYS A 14 13.757 11.134 -14.923 1.00 23.10 H new ATOM 0 HZ3 LYS A 14 15.102 10.973 -15.947 1.00 23.10 H new ATOM 251 N TYR A 15 16.005 16.426 -9.931 1.00 14.25 N ATOM 252 CA TYR A 15 16.005 17.875 -9.768 1.00 44.23 C ATOM 253 C TYR A 15 17.275 18.344 -9.064 1.00 32.24 C ATOM 254 O TYR A 15 17.852 19.372 -9.419 1.00 72.12 O ATOM 255 CB TYR A 15 14.775 18.321 -8.977 1.00 10.43 C ATOM 256 CG TYR A 15 14.633 19.823 -8.874 1.00 2.34 C ATOM 257 CD1 TYR A 15 15.325 20.541 -7.905 1.00 74.12 C ATOM 258 CD2 TYR A 15 13.808 20.524 -9.744 1.00 15.45 C ATOM 259 CE1 TYR A 15 15.198 21.913 -7.807 1.00 13.14 C ATOM 260 CE2 TYR A 15 13.676 21.897 -9.653 1.00 72.43 C ATOM 261 CZ TYR A 15 14.373 22.586 -8.683 1.00 54.32 C ATOM 262 OH TYR A 15 14.243 23.953 -8.589 1.00 50.01 O ATOM 0 H TYR A 15 15.445 15.924 -9.242 1.00 14.25 H new ATOM 0 HA TYR A 15 15.973 18.326 -10.760 1.00 44.23 H new ATOM 0 HB2 TYR A 15 13.882 17.912 -9.449 1.00 10.43 H new ATOM 0 HB3 TYR A 15 14.827 17.900 -7.973 1.00 10.43 H new ATOM 0 HD1 TYR A 15 15.973 20.017 -7.217 1.00 74.12 H new ATOM 0 HD2 TYR A 15 13.260 19.987 -10.505 1.00 15.45 H new ATOM 0 HE1 TYR A 15 15.742 22.456 -7.048 1.00 13.14 H new ATOM 0 HE2 TYR A 15 13.031 22.427 -10.338 1.00 72.43 H new ATOM 0 HH TYR A 15 13.339 24.215 -8.861 1.00 50.01 H new ATOM 272 N ILE A 16 17.704 17.582 -8.063 1.00 72.22 N ATOM 273 CA ILE A 16 18.905 17.917 -7.309 1.00 44.03 C ATOM 274 C ILE A 16 20.108 18.075 -8.233 1.00 62.54 C ATOM 275 O ILE A 16 20.994 18.892 -7.984 1.00 12.44 O ATOM 276 CB ILE A 16 19.223 16.845 -6.250 1.00 71.12 C ATOM 277 CG1 ILE A 16 19.701 15.557 -6.924 1.00 74.10 C ATOM 278 CG2 ILE A 16 18.000 16.575 -5.387 1.00 11.15 C ATOM 279 CD1 ILE A 16 21.206 15.448 -7.021 1.00 2.21 C ATOM 0 H ILE A 16 17.237 16.729 -7.756 1.00 72.22 H new ATOM 0 HA ILE A 16 18.708 18.864 -6.807 1.00 44.03 H new ATOM 0 HB ILE A 16 20.022 17.215 -5.608 1.00 71.12 H new ATOM 0 HG12 ILE A 16 19.318 14.702 -6.367 1.00 74.10 H new ATOM 0 HG13 ILE A 16 19.276 15.501 -7.926 1.00 74.10 H new ATOM 0 HG21 ILE A 16 18.240 15.815 -4.643 1.00 11.15 H new ATOM 0 HG22 ILE A 16 17.700 17.494 -4.883 1.00 11.15 H new ATOM 0 HG23 ILE A 16 17.182 16.222 -6.015 1.00 11.15 H new ATOM 0 HD11 ILE A 16 21.472 14.511 -7.509 1.00 2.21 H new ATOM 0 HD12 ILE A 16 21.595 16.284 -7.603 1.00 2.21 H new ATOM 0 HD13 ILE A 16 21.638 15.471 -6.020 1.00 2.21 H new ATOM 291 N VAL A 17 20.132 17.287 -9.304 1.00 23.32 N ATOM 292 CA VAL A 17 21.225 17.340 -10.268 1.00 13.30 C ATOM 293 C VAL A 17 20.977 18.415 -11.320 1.00 52.22 C ATOM 294 O VAL A 17 21.917 18.983 -11.874 1.00 42.23 O ATOM 295 CB VAL A 17 21.419 15.984 -10.971 1.00 65.05 C ATOM 296 CG1 VAL A 17 20.187 15.623 -11.787 1.00 1.50 C ATOM 297 CG2 VAL A 17 22.661 16.014 -11.850 1.00 73.54 C ATOM 0 H VAL A 17 19.407 16.605 -9.526 1.00 23.32 H new ATOM 0 HA VAL A 17 22.129 17.584 -9.710 1.00 13.30 H new ATOM 0 HB VAL A 17 21.558 15.216 -10.210 1.00 65.05 H new ATOM 0 HG11 VAL A 17 20.343 14.662 -12.276 1.00 1.50 H new ATOM 0 HG12 VAL A 17 19.321 15.558 -11.129 1.00 1.50 H new ATOM 0 HG13 VAL A 17 20.013 16.390 -12.542 1.00 1.50 H new ATOM 0 HG21 VAL A 17 22.784 15.048 -12.340 1.00 73.54 H new ATOM 0 HG22 VAL A 17 22.554 16.793 -12.605 1.00 73.54 H new ATOM 0 HG23 VAL A 17 23.537 16.223 -11.236 1.00 73.54 H new ATOM 307 N GLU A 18 19.704 18.689 -11.590 1.00 2.31 N ATOM 308 CA GLU A 18 19.333 19.697 -12.577 1.00 21.42 C ATOM 309 C GLU A 18 19.593 21.103 -12.043 1.00 73.53 C ATOM 310 O GLU A 18 19.863 22.030 -12.808 1.00 33.33 O ATOM 311 CB GLU A 18 17.859 19.549 -12.960 1.00 20.34 C ATOM 312 CG GLU A 18 17.642 19.213 -14.425 1.00 74.05 C ATOM 313 CD GLU A 18 16.627 18.104 -14.626 1.00 23.33 C ATOM 314 OE1 GLU A 18 15.414 18.389 -14.545 1.00 31.40 O ATOM 315 OE2 GLU A 18 17.046 16.952 -14.863 1.00 22.44 O ATOM 0 H GLU A 18 18.913 18.228 -11.140 1.00 2.31 H new ATOM 0 HA GLU A 18 19.948 19.545 -13.464 1.00 21.42 H new ATOM 0 HB2 GLU A 18 17.410 18.768 -12.346 1.00 20.34 H new ATOM 0 HB3 GLU A 18 17.337 20.477 -12.728 1.00 20.34 H new ATOM 0 HG2 GLU A 18 17.308 20.106 -14.953 1.00 74.05 H new ATOM 0 HG3 GLU A 18 18.592 18.916 -14.870 1.00 74.05 H new ATOM 322 N THR A 19 19.509 21.254 -10.725 1.00 74.01 N ATOM 323 CA THR A 19 19.732 22.546 -10.088 1.00 63.34 C ATOM 324 C THR A 19 21.016 22.539 -9.267 1.00 23.32 C ATOM 325 O THR A 19 21.546 23.593 -8.914 1.00 61.33 O ATOM 326 CB THR A 19 18.554 22.933 -9.175 1.00 40.41 C ATOM 327 OG1 THR A 19 18.402 21.963 -8.133 1.00 73.24 O ATOM 328 CG2 THR A 19 17.262 23.036 -9.972 1.00 44.13 C ATOM 0 H THR A 19 19.288 20.497 -10.078 1.00 74.01 H new ATOM 0 HA THR A 19 19.819 23.282 -10.887 1.00 63.34 H new ATOM 0 HB THR A 19 18.769 23.907 -8.735 1.00 40.41 H new ATOM 0 HG1 THR A 19 17.450 21.778 -7.995 1.00 73.24 H new ATOM 0 HG21 THR A 19 16.444 23.310 -9.306 1.00 44.13 H new ATOM 0 HG22 THR A 19 17.371 23.797 -10.745 1.00 44.13 H new ATOM 0 HG23 THR A 19 17.044 22.075 -10.437 1.00 44.13 H new ATOM 336 N LYS A 20 21.513 21.344 -8.965 1.00 4.02 N ATOM 337 CA LYS A 20 22.737 21.199 -8.186 1.00 24.31 C ATOM 338 C LYS A 20 22.612 21.904 -6.839 1.00 63.12 C ATOM 339 O LYS A 20 23.611 22.308 -6.243 1.00 32.22 O ATOM 340 CB LYS A 20 23.930 21.764 -8.961 1.00 14.30 C ATOM 341 CG LYS A 20 24.012 21.271 -10.395 1.00 62.11 C ATOM 342 CD LYS A 20 24.318 19.784 -10.456 1.00 70.25 C ATOM 343 CE LYS A 20 25.685 19.471 -9.867 1.00 52.10 C ATOM 344 NZ LYS A 20 26.373 18.380 -10.611 1.00 43.20 N ATOM 0 H LYS A 20 21.087 20.462 -9.248 1.00 4.02 H new ATOM 0 HA LYS A 20 22.899 20.136 -8.006 1.00 24.31 H new ATOM 0 HB2 LYS A 20 23.869 22.852 -8.963 1.00 14.30 H new ATOM 0 HB3 LYS A 20 24.850 21.497 -8.441 1.00 14.30 H new ATOM 0 HG2 LYS A 20 23.069 21.471 -10.904 1.00 62.11 H new ATOM 0 HG3 LYS A 20 24.785 21.825 -10.928 1.00 62.11 H new ATOM 0 HD2 LYS A 20 23.552 19.231 -9.913 1.00 70.25 H new ATOM 0 HD3 LYS A 20 24.281 19.446 -11.492 1.00 70.25 H new ATOM 0 HE2 LYS A 20 26.303 20.369 -9.886 1.00 52.10 H new ATOM 0 HE3 LYS A 20 25.573 19.183 -8.822 1.00 52.10 H new ATOM 0 HZ1 LYS A 20 27.301 18.197 -10.179 1.00 43.20 H new ATOM 0 HZ2 LYS A 20 25.796 17.516 -10.572 1.00 43.20 H new ATOM 0 HZ3 LYS A 20 26.503 18.665 -11.603 1.00 43.20 H new ATOM 358 N LYS A 21 21.380 22.048 -6.364 1.00 72.11 N ATOM 359 CA LYS A 21 21.123 22.702 -5.086 1.00 63.43 C ATOM 360 C LYS A 21 21.158 21.693 -3.943 1.00 33.04 C ATOM 361 O LYS A 21 21.463 20.517 -4.146 1.00 42.40 O ATOM 362 CB LYS A 21 19.767 23.410 -5.115 1.00 72.44 C ATOM 363 CG LYS A 21 19.872 24.925 -5.145 1.00 31.55 C ATOM 364 CD LYS A 21 19.219 25.505 -6.388 1.00 21.02 C ATOM 365 CE LYS A 21 17.734 25.181 -6.440 1.00 50.04 C ATOM 366 NZ LYS A 21 16.896 26.411 -6.383 1.00 33.50 N ATOM 0 H LYS A 21 20.543 21.720 -6.845 1.00 72.11 H new ATOM 0 HA LYS A 21 21.907 23.441 -4.920 1.00 63.43 H new ATOM 0 HB2 LYS A 21 19.211 23.075 -5.991 1.00 72.44 H new ATOM 0 HB3 LYS A 21 19.192 23.111 -4.239 1.00 72.44 H new ATOM 0 HG2 LYS A 21 19.398 25.341 -4.256 1.00 31.55 H new ATOM 0 HG3 LYS A 21 20.921 25.219 -5.114 1.00 31.55 H new ATOM 0 HD2 LYS A 21 19.357 26.586 -6.402 1.00 21.02 H new ATOM 0 HD3 LYS A 21 19.710 25.109 -7.277 1.00 21.02 H new ATOM 0 HE2 LYS A 21 17.514 24.633 -7.356 1.00 50.04 H new ATOM 0 HE3 LYS A 21 17.476 24.527 -5.608 1.00 50.04 H new ATOM 0 HZ1 LYS A 21 15.982 26.188 -5.940 1.00 33.50 H new ATOM 0 HZ2 LYS A 21 17.384 27.138 -5.822 1.00 33.50 H new ATOM 0 HZ3 LYS A 21 16.736 26.767 -7.347 1.00 33.50 H new ATOM 380 N THR A 22 20.841 22.159 -2.738 1.00 41.24 N ATOM 381 CA THR A 22 20.835 21.298 -1.563 1.00 4.14 C ATOM 382 C THR A 22 19.435 20.770 -1.274 1.00 54.53 C ATOM 383 O THR A 22 18.440 21.346 -1.717 1.00 23.30 O ATOM 384 CB THR A 22 21.358 22.042 -0.319 1.00 54.00 C ATOM 385 OG1 THR A 22 20.363 22.954 0.160 1.00 40.34 O ATOM 386 CG2 THR A 22 22.637 22.801 -0.640 1.00 34.45 C ATOM 0 H THR A 22 20.585 23.129 -2.551 1.00 41.24 H new ATOM 0 HA THR A 22 21.497 20.460 -1.782 1.00 4.14 H new ATOM 0 HB THR A 22 21.577 21.305 0.453 1.00 54.00 H new ATOM 0 HG1 THR A 22 20.702 23.422 0.952 1.00 40.34 H new ATOM 0 HG21 THR A 22 22.987 23.318 0.253 1.00 34.45 H new ATOM 0 HG22 THR A 22 23.401 22.100 -0.977 1.00 34.45 H new ATOM 0 HG23 THR A 22 22.440 23.529 -1.427 1.00 34.45 H new ATOM 394 N VAL A 23 19.363 19.672 -0.529 1.00 13.44 N ATOM 395 CA VAL A 23 18.083 19.068 -0.179 1.00 73.03 C ATOM 396 C VAL A 23 17.138 20.096 0.433 1.00 4.22 C ATOM 397 O VAL A 23 15.918 19.977 0.322 1.00 41.20 O ATOM 398 CB VAL A 23 18.264 17.901 0.809 1.00 23.14 C ATOM 399 CG1 VAL A 23 18.803 16.672 0.092 1.00 4.54 C ATOM 400 CG2 VAL A 23 19.184 18.308 1.951 1.00 55.41 C ATOM 0 H VAL A 23 20.176 19.182 -0.156 1.00 13.44 H new ATOM 0 HA VAL A 23 17.650 18.687 -1.104 1.00 73.03 H new ATOM 0 HB VAL A 23 17.290 17.649 1.229 1.00 23.14 H new ATOM 0 HG11 VAL A 23 18.924 15.858 0.807 1.00 4.54 H new ATOM 0 HG12 VAL A 23 18.104 16.370 -0.687 1.00 4.54 H new ATOM 0 HG13 VAL A 23 19.768 16.907 -0.358 1.00 4.54 H new ATOM 0 HG21 VAL A 23 19.301 17.471 2.640 1.00 55.41 H new ATOM 0 HG22 VAL A 23 20.159 18.588 1.551 1.00 55.41 H new ATOM 0 HG23 VAL A 23 18.752 19.157 2.481 1.00 55.41 H new ATOM 410 N ARG A 24 17.711 21.106 1.080 1.00 41.22 N ATOM 411 CA ARG A 24 16.920 22.156 1.711 1.00 63.10 C ATOM 412 C ARG A 24 16.207 23.004 0.662 1.00 34.13 C ATOM 413 O ARG A 24 15.078 23.449 0.872 1.00 40.04 O ATOM 414 CB ARG A 24 17.813 23.044 2.579 1.00 2.32 C ATOM 415 CG ARG A 24 17.113 24.289 3.099 1.00 52.12 C ATOM 416 CD ARG A 24 17.396 24.512 4.576 1.00 1.11 C ATOM 417 NE ARG A 24 18.502 25.442 4.787 1.00 0.40 N ATOM 418 CZ ARG A 24 19.002 25.731 5.984 1.00 74.04 C ATOM 419 NH1 ARG A 24 18.497 25.164 7.071 1.00 53.23 N ATOM 420 NH2 ARG A 24 20.009 26.588 6.094 1.00 33.23 N ATOM 0 H ARG A 24 18.720 21.219 1.181 1.00 41.22 H new ATOM 0 HA ARG A 24 16.168 21.681 2.342 1.00 63.10 H new ATOM 0 HB2 ARG A 24 18.177 22.462 3.426 1.00 2.32 H new ATOM 0 HB3 ARG A 24 18.686 23.344 1.999 1.00 2.32 H new ATOM 0 HG2 ARG A 24 17.443 25.158 2.529 1.00 52.12 H new ATOM 0 HG3 ARG A 24 16.038 24.195 2.944 1.00 52.12 H new ATOM 0 HD2 ARG A 24 16.500 24.898 5.063 1.00 1.11 H new ATOM 0 HD3 ARG A 24 17.630 23.558 5.048 1.00 1.11 H new ATOM 0 HE ARG A 24 18.913 25.895 3.971 1.00 0.40 H new ATOM 0 HH11 ARG A 24 17.723 24.504 6.990 1.00 53.23 H new ATOM 0 HH12 ARG A 24 18.882 25.387 7.989 1.00 53.23 H new ATOM 0 HH21 ARG A 24 20.400 27.025 5.260 1.00 33.23 H new ATOM 0 HH22 ARG A 24 20.392 26.809 7.013 1.00 33.23 H new ATOM 434 N VAL A 25 16.873 23.224 -0.467 1.00 12.12 N ATOM 435 CA VAL A 25 16.303 24.018 -1.549 1.00 15.15 C ATOM 436 C VAL A 25 15.441 23.158 -2.466 1.00 50.03 C ATOM 437 O VAL A 25 14.498 23.648 -3.088 1.00 14.24 O ATOM 438 CB VAL A 25 17.402 24.699 -2.385 1.00 2.44 C ATOM 439 CG1 VAL A 25 16.791 25.682 -3.372 1.00 31.11 C ATOM 440 CG2 VAL A 25 18.405 25.396 -1.478 1.00 3.30 C ATOM 0 H VAL A 25 17.808 22.863 -0.656 1.00 12.12 H new ATOM 0 HA VAL A 25 15.682 24.785 -1.086 1.00 15.15 H new ATOM 0 HB VAL A 25 17.930 23.933 -2.953 1.00 2.44 H new ATOM 0 HG11 VAL A 25 17.583 26.153 -3.954 1.00 31.11 H new ATOM 0 HG12 VAL A 25 16.115 25.152 -4.043 1.00 31.11 H new ATOM 0 HG13 VAL A 25 16.236 26.447 -2.828 1.00 31.11 H new ATOM 0 HG21 VAL A 25 19.175 25.872 -2.085 1.00 3.30 H new ATOM 0 HG22 VAL A 25 17.893 26.152 -0.883 1.00 3.30 H new ATOM 0 HG23 VAL A 25 18.867 24.664 -0.815 1.00 3.30 H new ATOM 450 N ILE A 26 15.771 21.874 -2.546 1.00 64.53 N ATOM 451 CA ILE A 26 15.027 20.945 -3.387 1.00 74.32 C ATOM 452 C ILE A 26 13.750 20.479 -2.695 1.00 41.00 C ATOM 453 O ILE A 26 12.748 20.190 -3.348 1.00 71.10 O ATOM 454 CB ILE A 26 15.876 19.714 -3.756 1.00 32.25 C ATOM 455 CG1 ILE A 26 17.128 20.142 -4.524 1.00 13.11 C ATOM 456 CG2 ILE A 26 15.055 18.730 -4.576 1.00 13.21 C ATOM 457 CD1 ILE A 26 18.405 19.542 -3.980 1.00 3.32 C ATOM 0 H ILE A 26 16.549 21.453 -2.038 1.00 64.53 H new ATOM 0 HA ILE A 26 14.768 21.483 -4.299 1.00 74.32 H new ATOM 0 HB ILE A 26 16.188 19.218 -2.837 1.00 32.25 H new ATOM 0 HG12 ILE A 26 17.018 19.856 -5.570 1.00 13.11 H new ATOM 0 HG13 ILE A 26 17.207 21.229 -4.498 1.00 13.11 H new ATOM 0 HG21 ILE A 26 15.669 17.866 -4.829 1.00 13.21 H new ATOM 0 HG22 ILE A 26 14.192 18.404 -3.996 1.00 13.21 H new ATOM 0 HG23 ILE A 26 14.715 19.214 -5.492 1.00 13.21 H new ATOM 0 HD11 ILE A 26 19.251 19.889 -4.573 1.00 3.32 H new ATOM 0 HD12 ILE A 26 18.538 19.849 -2.943 1.00 3.32 H new ATOM 0 HD13 ILE A 26 18.347 18.455 -4.032 1.00 3.32 H new ATOM 469 N ALA A 27 13.794 20.411 -1.369 1.00 30.45 N ATOM 470 CA ALA A 27 12.640 19.984 -0.587 1.00 51.00 C ATOM 471 C ALA A 27 11.567 21.067 -0.556 1.00 51.23 C ATOM 472 O ALA A 27 10.399 20.807 -0.845 1.00 53.13 O ATOM 473 CB ALA A 27 13.066 19.620 0.828 1.00 52.14 C ATOM 0 H ALA A 27 14.616 20.646 -0.813 1.00 30.45 H new ATOM 0 HA ALA A 27 12.215 19.101 -1.065 1.00 51.00 H new ATOM 0 HB1 ALA A 27 12.194 19.303 1.400 1.00 52.14 H new ATOM 0 HB2 ALA A 27 13.791 18.807 0.792 1.00 52.14 H new ATOM 0 HB3 ALA A 27 13.518 20.489 1.307 1.00 52.14 H new ATOM 479 N LYS A 28 11.970 22.283 -0.204 1.00 2.14 N ATOM 480 CA LYS A 28 11.044 23.407 -0.135 1.00 40.12 C ATOM 481 C LYS A 28 10.248 23.535 -1.430 1.00 13.51 C ATOM 482 O LYS A 28 9.103 23.986 -1.422 1.00 53.11 O ATOM 483 CB LYS A 28 11.805 24.706 0.139 1.00 44.04 C ATOM 484 CG LYS A 28 12.934 24.968 -0.844 1.00 55.51 C ATOM 485 CD LYS A 28 12.438 25.704 -2.078 1.00 4.52 C ATOM 486 CE LYS A 28 12.877 27.161 -2.071 1.00 72.14 C ATOM 487 NZ LYS A 28 11.822 28.060 -2.616 1.00 61.03 N ATOM 0 H LYS A 28 12.933 22.515 0.038 1.00 2.14 H new ATOM 0 HA LYS A 28 10.348 23.222 0.683 1.00 40.12 H new ATOM 0 HB2 LYS A 28 11.105 25.541 0.107 1.00 44.04 H new ATOM 0 HB3 LYS A 28 12.214 24.672 1.149 1.00 44.04 H new ATOM 0 HG2 LYS A 28 13.713 25.555 -0.357 1.00 55.51 H new ATOM 0 HG3 LYS A 28 13.387 24.022 -1.141 1.00 55.51 H new ATOM 0 HD2 LYS A 28 12.818 25.212 -2.974 1.00 4.52 H new ATOM 0 HD3 LYS A 28 11.350 25.651 -2.122 1.00 4.52 H new ATOM 0 HE2 LYS A 28 13.120 27.462 -1.052 1.00 72.14 H new ATOM 0 HE3 LYS A 28 13.787 27.269 -2.661 1.00 72.14 H new ATOM 0 HZ1 LYS A 28 12.159 29.044 -2.594 1.00 61.03 H new ATOM 0 HZ2 LYS A 28 11.608 27.789 -3.597 1.00 61.03 H new ATOM 0 HZ3 LYS A 28 10.962 27.976 -2.038 1.00 61.03 H new ATOM 501 N GLU A 29 10.861 23.135 -2.539 1.00 44.21 N ATOM 502 CA GLU A 29 10.208 23.206 -3.841 1.00 31.43 C ATOM 503 C GLU A 29 9.040 22.226 -3.917 1.00 63.11 C ATOM 504 O GLU A 29 8.002 22.525 -4.507 1.00 12.22 O ATOM 505 CB GLU A 29 11.211 22.908 -4.957 1.00 24.02 C ATOM 506 CG GLU A 29 12.146 24.067 -5.260 1.00 51.11 C ATOM 507 CD GLU A 29 12.135 24.457 -6.725 1.00 51.33 C ATOM 508 OE1 GLU A 29 11.884 23.575 -7.573 1.00 3.41 O ATOM 509 OE2 GLU A 29 12.377 25.646 -7.024 1.00 32.31 O ATOM 0 H GLU A 29 11.809 22.758 -2.562 1.00 44.21 H new ATOM 0 HA GLU A 29 9.822 24.217 -3.971 1.00 31.43 H new ATOM 0 HB2 GLU A 29 11.804 22.037 -4.678 1.00 24.02 H new ATOM 0 HB3 GLU A 29 10.666 22.645 -5.864 1.00 24.02 H new ATOM 0 HG2 GLU A 29 11.859 24.928 -4.656 1.00 51.11 H new ATOM 0 HG3 GLU A 29 13.161 23.797 -4.967 1.00 51.11 H new ATOM 516 N PHE A 30 9.219 21.054 -3.317 1.00 30.22 N ATOM 517 CA PHE A 30 8.182 20.029 -3.318 1.00 30.43 C ATOM 518 C PHE A 30 7.160 20.288 -2.215 1.00 21.35 C ATOM 519 O PHE A 30 6.016 19.844 -2.297 1.00 34.03 O ATOM 520 CB PHE A 30 8.805 18.643 -3.136 1.00 71.10 C ATOM 521 CG PHE A 30 9.428 18.097 -4.389 1.00 4.12 C ATOM 522 CD1 PHE A 30 10.482 18.759 -4.999 1.00 72.51 C ATOM 523 CD2 PHE A 30 8.961 16.923 -4.956 1.00 73.33 C ATOM 524 CE1 PHE A 30 11.058 18.259 -6.152 1.00 21.22 C ATOM 525 CE2 PHE A 30 9.533 16.418 -6.108 1.00 42.05 C ATOM 526 CZ PHE A 30 10.582 17.087 -6.708 1.00 3.53 C ATOM 0 H PHE A 30 10.072 20.790 -2.824 1.00 30.22 H new ATOM 0 HA PHE A 30 7.670 20.067 -4.280 1.00 30.43 H new ATOM 0 HB2 PHE A 30 9.564 18.694 -2.355 1.00 71.10 H new ATOM 0 HB3 PHE A 30 8.037 17.951 -2.790 1.00 71.10 H new ATOM 0 HD1 PHE A 30 10.857 19.676 -4.569 1.00 72.51 H new ATOM 0 HD2 PHE A 30 8.140 16.396 -4.492 1.00 73.33 H new ATOM 0 HE1 PHE A 30 11.879 18.784 -6.618 1.00 21.22 H new ATOM 0 HE2 PHE A 30 9.160 15.501 -6.539 1.00 42.05 H new ATOM 0 HZ PHE A 30 11.029 16.695 -7.610 1.00 3.53 H new ATOM 536 N GLY A 31 7.583 21.010 -1.181 1.00 64.23 N ATOM 537 CA GLY A 31 6.694 21.315 -0.076 1.00 3.41 C ATOM 538 C GLY A 31 6.821 20.322 1.062 1.00 72.33 C ATOM 539 O GLY A 31 5.832 19.980 1.710 1.00 13.13 O ATOM 0 H GLY A 31 8.526 21.389 -1.090 1.00 64.23 H new ATOM 0 HA2 GLY A 31 6.911 22.317 0.294 1.00 3.41 H new ATOM 0 HA3 GLY A 31 5.664 21.323 -0.434 1.00 3.41 H new ATOM 543 N VAL A 32 8.041 19.855 1.305 1.00 64.45 N ATOM 544 CA VAL A 32 8.294 18.893 2.371 1.00 11.43 C ATOM 545 C VAL A 32 9.567 19.241 3.134 1.00 0.35 C ATOM 546 O VAL A 32 10.353 20.083 2.700 1.00 12.53 O ATOM 547 CB VAL A 32 8.415 17.461 1.819 1.00 71.30 C ATOM 548 CG1 VAL A 32 7.050 16.930 1.408 1.00 61.23 C ATOM 549 CG2 VAL A 32 9.386 17.422 0.649 1.00 60.43 C ATOM 0 H VAL A 32 8.871 20.127 0.778 1.00 64.45 H new ATOM 0 HA VAL A 32 7.442 18.941 3.049 1.00 11.43 H new ATOM 0 HB VAL A 32 8.806 16.818 2.607 1.00 71.30 H new ATOM 0 HG11 VAL A 32 7.155 15.917 1.020 1.00 61.23 H new ATOM 0 HG12 VAL A 32 6.388 16.920 2.274 1.00 61.23 H new ATOM 0 HG13 VAL A 32 6.627 17.572 0.635 1.00 61.23 H new ATOM 0 HG21 VAL A 32 9.460 16.402 0.271 1.00 60.43 H new ATOM 0 HG22 VAL A 32 9.027 18.078 -0.144 1.00 60.43 H new ATOM 0 HG23 VAL A 32 10.369 17.758 0.980 1.00 60.43 H new ATOM 559 N SER A 33 9.765 18.587 4.274 1.00 33.33 N ATOM 560 CA SER A 33 10.942 18.829 5.101 1.00 75.14 C ATOM 561 C SER A 33 12.117 17.974 4.636 1.00 34.35 C ATOM 562 O SER A 33 11.931 16.881 4.099 1.00 3.45 O ATOM 563 CB SER A 33 10.629 18.533 6.569 1.00 45.21 C ATOM 564 OG SER A 33 10.009 17.268 6.713 1.00 31.55 O ATOM 0 H SER A 33 9.125 17.885 4.646 1.00 33.33 H new ATOM 0 HA SER A 33 11.217 19.879 5.001 1.00 75.14 H new ATOM 0 HB2 SER A 33 11.549 18.559 7.153 1.00 45.21 H new ATOM 0 HB3 SER A 33 9.976 19.309 6.969 1.00 45.21 H new ATOM 0 HG SER A 33 9.821 17.102 7.660 1.00 31.55 H new ATOM 570 N LYS A 34 13.327 18.479 4.847 1.00 24.34 N ATOM 571 CA LYS A 34 14.535 17.763 4.453 1.00 72.12 C ATOM 572 C LYS A 34 14.526 16.339 4.999 1.00 72.54 C ATOM 573 O LYS A 34 14.940 15.400 4.318 1.00 43.40 O ATOM 574 CB LYS A 34 15.778 18.504 4.952 1.00 74.42 C ATOM 575 CG LYS A 34 15.883 19.929 4.439 1.00 15.50 C ATOM 576 CD LYS A 34 15.573 20.939 5.532 1.00 43.24 C ATOM 577 CE LYS A 34 14.642 22.033 5.032 1.00 11.13 C ATOM 578 NZ LYS A 34 14.766 23.278 5.840 1.00 54.23 N ATOM 0 H LYS A 34 13.498 19.382 5.289 1.00 24.34 H new ATOM 0 HA LYS A 34 14.560 17.716 3.364 1.00 72.12 H new ATOM 0 HB2 LYS A 34 15.769 18.519 6.042 1.00 74.42 H new ATOM 0 HB3 LYS A 34 16.667 17.951 4.648 1.00 74.42 H new ATOM 0 HG2 LYS A 34 16.887 20.105 4.054 1.00 15.50 H new ATOM 0 HG3 LYS A 34 15.193 20.069 3.607 1.00 15.50 H new ATOM 0 HD2 LYS A 34 15.115 20.430 6.380 1.00 43.24 H new ATOM 0 HD3 LYS A 34 16.501 21.385 5.891 1.00 43.24 H new ATOM 0 HE2 LYS A 34 14.868 22.253 3.989 1.00 11.13 H new ATOM 0 HE3 LYS A 34 13.612 21.678 5.067 1.00 11.13 H new ATOM 0 HZ1 LYS A 34 14.625 24.106 5.226 1.00 54.23 H new ATOM 0 HZ2 LYS A 34 14.047 23.277 6.591 1.00 54.23 H new ATOM 0 HZ3 LYS A 34 15.713 23.322 6.267 1.00 54.23 H new ATOM 592 N SER A 35 14.049 16.184 6.230 1.00 44.42 N ATOM 593 CA SER A 35 13.989 14.874 6.867 1.00 15.45 C ATOM 594 C SER A 35 13.122 13.915 6.057 1.00 51.41 C ATOM 595 O SER A 35 13.402 12.718 5.982 1.00 51.43 O ATOM 596 CB SER A 35 13.437 15.001 8.289 1.00 60.31 C ATOM 597 OG SER A 35 13.553 13.776 8.992 1.00 61.43 O ATOM 0 H SER A 35 13.699 16.949 6.806 1.00 44.42 H new ATOM 0 HA SER A 35 15.001 14.472 6.911 1.00 15.45 H new ATOM 0 HB2 SER A 35 13.976 15.783 8.823 1.00 60.31 H new ATOM 0 HB3 SER A 35 12.391 15.304 8.251 1.00 60.31 H new ATOM 0 HG SER A 35 13.195 13.884 9.898 1.00 61.43 H new ATOM 603 N THR A 36 12.066 14.450 5.451 1.00 64.04 N ATOM 604 CA THR A 36 11.157 13.643 4.647 1.00 41.45 C ATOM 605 C THR A 36 11.769 13.312 3.290 1.00 10.51 C ATOM 606 O THR A 36 11.607 12.204 2.778 1.00 2.55 O ATOM 607 CB THR A 36 9.812 14.362 4.429 1.00 61.13 C ATOM 608 OG1 THR A 36 9.259 14.759 5.688 1.00 30.35 O ATOM 609 CG2 THR A 36 8.829 13.460 3.699 1.00 75.51 C ATOM 0 H THR A 36 11.820 15.438 5.502 1.00 64.04 H new ATOM 0 HA THR A 36 10.982 12.719 5.199 1.00 41.45 H new ATOM 0 HB THR A 36 9.992 15.246 3.818 1.00 61.13 H new ATOM 0 HG1 THR A 36 9.612 15.638 5.938 1.00 30.35 H new ATOM 0 HG21 THR A 36 7.887 13.989 3.556 1.00 75.51 H new ATOM 0 HG22 THR A 36 9.241 13.184 2.728 1.00 75.51 H new ATOM 0 HG23 THR A 36 8.654 12.560 4.288 1.00 75.51 H new ATOM 617 N VAL A 37 12.473 14.280 2.712 1.00 44.12 N ATOM 618 CA VAL A 37 13.112 14.091 1.415 1.00 74.53 C ATOM 619 C VAL A 37 14.303 13.145 1.521 1.00 11.24 C ATOM 620 O VAL A 37 14.333 12.092 0.884 1.00 52.13 O ATOM 621 CB VAL A 37 13.585 15.431 0.821 1.00 61.51 C ATOM 622 CG1 VAL A 37 14.281 15.207 -0.513 1.00 4.41 C ATOM 623 CG2 VAL A 37 12.413 16.388 0.666 1.00 21.02 C ATOM 0 H VAL A 37 12.615 15.203 3.122 1.00 44.12 H new ATOM 0 HA VAL A 37 12.363 13.654 0.754 1.00 74.53 H new ATOM 0 HB VAL A 37 14.303 15.880 1.507 1.00 61.51 H new ATOM 0 HG11 VAL A 37 14.608 16.165 -0.918 1.00 4.41 H new ATOM 0 HG12 VAL A 37 15.146 14.560 -0.368 1.00 4.41 H new ATOM 0 HG13 VAL A 37 13.588 14.736 -1.210 1.00 4.41 H new ATOM 0 HG21 VAL A 37 12.765 17.330 0.245 1.00 21.02 H new ATOM 0 HG22 VAL A 37 11.670 15.949 0.001 1.00 21.02 H new ATOM 0 HG23 VAL A 37 11.963 16.573 1.641 1.00 21.02 H new ATOM 633 N HIS A 38 15.284 13.528 2.332 1.00 23.13 N ATOM 634 CA HIS A 38 16.479 12.713 2.524 1.00 41.51 C ATOM 635 C HIS A 38 16.107 11.283 2.900 1.00 73.51 C ATOM 636 O HIS A 38 16.853 10.343 2.625 1.00 72.43 O ATOM 637 CB HIS A 38 17.369 13.323 3.608 1.00 70.24 C ATOM 638 CG HIS A 38 18.602 13.982 3.070 1.00 71.41 C ATOM 639 ND1 HIS A 38 19.162 15.107 3.637 1.00 63.30 N ATOM 640 CD2 HIS A 38 19.384 13.666 2.011 1.00 1.32 C ATOM 641 CE1 HIS A 38 20.235 15.456 2.949 1.00 32.03 C ATOM 642 NE2 HIS A 38 20.392 14.598 1.958 1.00 73.33 N ATOM 0 H HIS A 38 15.275 14.397 2.866 1.00 23.13 H new ATOM 0 HA HIS A 38 17.029 12.691 1.583 1.00 41.51 H new ATOM 0 HB2 HIS A 38 16.791 14.056 4.171 1.00 70.24 H new ATOM 0 HB3 HIS A 38 17.661 12.541 4.309 1.00 70.24 H new ATOM 0 HD1 HIS A 38 18.804 15.594 4.459 1.00 63.30 H new ATOM 0 HD2 HIS A 38 19.242 12.836 1.334 1.00 1.32 H new ATOM 0 HE1 HIS A 38 20.875 16.300 3.161 1.00 32.03 H new ATOM 650 N LYS A 39 14.948 11.124 3.531 1.00 3.33 N ATOM 651 CA LYS A 39 14.475 9.809 3.945 1.00 25.42 C ATOM 652 C LYS A 39 14.305 8.888 2.741 1.00 22.00 C ATOM 653 O LYS A 39 14.807 7.764 2.731 1.00 22.13 O ATOM 654 CB LYS A 39 13.148 9.934 4.696 1.00 0.13 C ATOM 655 CG LYS A 39 12.480 8.599 4.978 1.00 3.34 C ATOM 656 CD LYS A 39 11.281 8.373 4.073 1.00 41.30 C ATOM 657 CE LYS A 39 9.973 8.499 4.839 1.00 70.32 C ATOM 658 NZ LYS A 39 9.575 7.211 5.472 1.00 25.12 N ATOM 0 H LYS A 39 14.319 11.891 3.767 1.00 3.33 H new ATOM 0 HA LYS A 39 15.222 9.375 4.610 1.00 25.42 H new ATOM 0 HB2 LYS A 39 13.322 10.450 5.640 1.00 0.13 H new ATOM 0 HB3 LYS A 39 12.468 10.555 4.113 1.00 0.13 H new ATOM 0 HG2 LYS A 39 13.201 7.794 4.837 1.00 3.34 H new ATOM 0 HG3 LYS A 39 12.162 8.563 6.020 1.00 3.34 H new ATOM 0 HD2 LYS A 39 11.298 9.096 3.258 1.00 41.30 H new ATOM 0 HD3 LYS A 39 11.346 7.383 3.622 1.00 41.30 H new ATOM 0 HE2 LYS A 39 10.074 9.265 5.607 1.00 70.32 H new ATOM 0 HE3 LYS A 39 9.186 8.829 4.161 1.00 70.32 H new ATOM 0 HZ1 LYS A 39 8.679 7.338 5.984 1.00 25.12 H new ATOM 0 HZ2 LYS A 39 9.453 6.486 4.737 1.00 25.12 H new ATOM 0 HZ3 LYS A 39 10.314 6.908 6.138 1.00 25.12 H new ATOM 672 N ASP A 40 13.596 9.372 1.728 1.00 41.35 N ATOM 673 CA ASP A 40 13.362 8.594 0.517 1.00 62.41 C ATOM 674 C ASP A 40 14.556 8.688 -0.429 1.00 35.43 C ATOM 675 O ASP A 40 14.888 7.726 -1.124 1.00 11.44 O ATOM 676 CB ASP A 40 12.096 9.079 -0.190 1.00 72.34 C ATOM 677 CG ASP A 40 10.842 8.809 0.618 1.00 11.41 C ATOM 678 OD1 ASP A 40 10.463 7.627 0.748 1.00 21.23 O ATOM 679 OD2 ASP A 40 10.239 9.781 1.120 1.00 52.32 O ATOM 0 H ASP A 40 13.173 10.300 1.721 1.00 41.35 H new ATOM 0 HA ASP A 40 13.231 7.551 0.805 1.00 62.41 H new ATOM 0 HB2 ASP A 40 12.178 10.149 -0.382 1.00 72.34 H new ATOM 0 HB3 ASP A 40 12.013 8.587 -1.159 1.00 72.34 H new ATOM 684 N LEU A 41 15.196 9.851 -0.451 1.00 52.30 N ATOM 685 CA LEU A 41 16.352 10.072 -1.312 1.00 63.15 C ATOM 686 C LEU A 41 17.471 9.089 -0.984 1.00 24.10 C ATOM 687 O LEU A 41 18.372 8.863 -1.793 1.00 5.54 O ATOM 688 CB LEU A 41 16.859 11.508 -1.162 1.00 74.50 C ATOM 689 CG LEU A 41 16.200 12.550 -2.066 1.00 71.25 C ATOM 690 CD1 LEU A 41 16.960 12.675 -3.378 1.00 11.43 C ATOM 691 CD2 LEU A 41 14.744 12.189 -2.324 1.00 62.31 C ATOM 0 H LEU A 41 14.934 10.656 0.118 1.00 52.30 H new ATOM 0 HA LEU A 41 16.041 9.909 -2.344 1.00 63.15 H new ATOM 0 HB2 LEU A 41 16.719 11.815 -0.126 1.00 74.50 H new ATOM 0 HB3 LEU A 41 17.932 11.515 -1.355 1.00 74.50 H new ATOM 0 HG LEU A 41 16.230 13.514 -1.558 1.00 71.25 H new ATOM 0 HD11 LEU A 41 16.477 13.421 -4.009 1.00 11.43 H new ATOM 0 HD12 LEU A 41 17.987 12.981 -3.176 1.00 11.43 H new ATOM 0 HD13 LEU A 41 16.962 11.713 -3.890 1.00 11.43 H new ATOM 0 HD21 LEU A 41 14.291 12.942 -2.969 1.00 62.31 H new ATOM 0 HD22 LEU A 41 14.691 11.215 -2.811 1.00 62.31 H new ATOM 0 HD23 LEU A 41 14.205 12.151 -1.377 1.00 62.31 H new ATOM 703 N THR A 42 17.407 8.504 0.208 1.00 22.31 N ATOM 704 CA THR A 42 18.414 7.544 0.644 1.00 51.14 C ATOM 705 C THR A 42 17.799 6.168 0.872 1.00 22.02 C ATOM 706 O THR A 42 18.482 5.237 1.298 1.00 73.23 O ATOM 707 CB THR A 42 19.107 8.006 1.939 1.00 32.14 C ATOM 708 OG1 THR A 42 18.177 7.980 3.028 1.00 22.22 O ATOM 709 CG2 THR A 42 19.671 9.410 1.781 1.00 74.11 C ATOM 0 H THR A 42 16.668 8.678 0.889 1.00 22.31 H new ATOM 0 HA THR A 42 19.156 7.480 -0.152 1.00 51.14 H new ATOM 0 HB THR A 42 19.930 7.323 2.148 1.00 32.14 H new ATOM 0 HG1 THR A 42 17.552 8.730 2.943 1.00 22.22 H new ATOM 0 HG21 THR A 42 20.156 9.714 2.709 1.00 74.11 H new ATOM 0 HG22 THR A 42 20.400 9.420 0.971 1.00 74.11 H new ATOM 0 HG23 THR A 42 18.862 10.103 1.550 1.00 74.11 H new ATOM 717 N GLU A 43 16.507 6.047 0.586 1.00 15.30 N ATOM 718 CA GLU A 43 15.801 4.783 0.761 1.00 11.32 C ATOM 719 C GLU A 43 15.195 4.311 -0.557 1.00 52.34 C ATOM 720 O GLU A 43 15.698 3.380 -1.186 1.00 32.23 O ATOM 721 CB GLU A 43 14.703 4.929 1.817 1.00 73.23 C ATOM 722 CG GLU A 43 15.227 4.945 3.243 1.00 64.24 C ATOM 723 CD GLU A 43 15.322 3.557 3.845 1.00 31.51 C ATOM 724 OE1 GLU A 43 14.272 2.895 3.980 1.00 34.03 O ATOM 725 OE2 GLU A 43 16.447 3.132 4.181 1.00 23.31 O ATOM 0 H GLU A 43 15.928 6.808 0.232 1.00 15.30 H new ATOM 0 HA GLU A 43 16.521 4.037 1.097 1.00 11.32 H new ATOM 0 HB2 GLU A 43 14.152 5.851 1.631 1.00 73.23 H new ATOM 0 HB3 GLU A 43 13.995 4.107 1.708 1.00 73.23 H new ATOM 0 HG2 GLU A 43 16.212 5.412 3.259 1.00 64.24 H new ATOM 0 HG3 GLU A 43 14.572 5.560 3.860 1.00 64.24 H new ATOM 732 N ARG A 44 14.111 4.961 -0.970 1.00 21.23 N ATOM 733 CA ARG A 44 13.435 4.607 -2.212 1.00 12.01 C ATOM 734 C ARG A 44 14.278 5.001 -3.421 1.00 70.42 C ATOM 735 O ARG A 44 14.487 4.200 -4.333 1.00 74.44 O ATOM 736 CB ARG A 44 12.068 5.290 -2.286 1.00 11.13 C ATOM 737 CG ARG A 44 11.022 4.660 -1.381 1.00 23.45 C ATOM 738 CD ARG A 44 10.669 3.251 -1.834 1.00 4.54 C ATOM 739 NE ARG A 44 9.556 2.694 -1.071 1.00 30.15 N ATOM 740 CZ ARG A 44 9.665 2.267 0.183 1.00 74.14 C ATOM 741 NH1 ARG A 44 10.830 2.334 0.811 1.00 64.14 N ATOM 742 NH2 ARG A 44 8.606 1.772 0.810 1.00 15.24 N ATOM 0 H ARG A 44 13.683 5.735 -0.462 1.00 21.23 H new ATOM 0 HA ARG A 44 13.295 3.526 -2.225 1.00 12.01 H new ATOM 0 HB2 ARG A 44 12.181 6.341 -2.019 1.00 11.13 H new ATOM 0 HB3 ARG A 44 11.711 5.259 -3.316 1.00 11.13 H new ATOM 0 HG2 ARG A 44 11.395 4.632 -0.357 1.00 23.45 H new ATOM 0 HG3 ARG A 44 10.124 5.278 -1.376 1.00 23.45 H new ATOM 0 HD2 ARG A 44 10.412 3.264 -2.893 1.00 4.54 H new ATOM 0 HD3 ARG A 44 11.541 2.606 -1.726 1.00 4.54 H new ATOM 0 HE ARG A 44 8.645 2.629 -1.525 1.00 30.15 H new ATOM 0 HH11 ARG A 44 11.646 2.714 0.332 1.00 64.14 H new ATOM 0 HH12 ARG A 44 10.910 2.005 1.773 1.00 64.14 H new ATOM 0 HH21 ARG A 44 7.708 1.719 0.330 1.00 15.24 H new ATOM 0 HH22 ARG A 44 8.690 1.444 1.772 1.00 15.24 H new ATOM 756 N LEU A 45 14.760 6.239 -3.422 1.00 72.41 N ATOM 757 CA LEU A 45 15.580 6.739 -4.519 1.00 43.54 C ATOM 758 C LEU A 45 16.616 5.703 -4.942 1.00 71.53 C ATOM 759 O LEU A 45 16.662 5.269 -6.094 1.00 30.14 O ATOM 760 CB LEU A 45 16.279 8.037 -4.109 1.00 30.21 C ATOM 761 CG LEU A 45 17.609 8.332 -4.803 1.00 62.51 C ATOM 762 CD1 LEU A 45 17.472 8.174 -6.309 1.00 55.04 C ATOM 763 CD2 LEU A 45 18.095 9.731 -4.453 1.00 72.35 C ATOM 0 H LEU A 45 14.597 6.915 -2.675 1.00 72.41 H new ATOM 0 HA LEU A 45 14.925 6.938 -5.367 1.00 43.54 H new ATOM 0 HB2 LEU A 45 15.600 8.868 -4.301 1.00 30.21 H new ATOM 0 HB3 LEU A 45 16.452 8.009 -3.033 1.00 30.21 H new ATOM 0 HG LEU A 45 18.348 7.614 -4.449 1.00 62.51 H new ATOM 0 HD11 LEU A 45 18.429 8.388 -6.786 1.00 55.04 H new ATOM 0 HD12 LEU A 45 17.171 7.153 -6.542 1.00 55.04 H new ATOM 0 HD13 LEU A 45 16.718 8.868 -6.681 1.00 55.04 H new ATOM 0 HD21 LEU A 45 19.043 9.923 -4.956 1.00 72.35 H new ATOM 0 HD22 LEU A 45 17.357 10.464 -4.777 1.00 72.35 H new ATOM 0 HD23 LEU A 45 18.234 9.809 -3.375 1.00 72.35 H new ATOM 775 N PRO A 46 17.467 5.293 -3.990 1.00 35.24 N ATOM 776 CA PRO A 46 18.515 4.300 -4.239 1.00 25.52 C ATOM 777 C PRO A 46 17.948 2.903 -4.470 1.00 43.15 C ATOM 778 O PRO A 46 18.498 2.122 -5.246 1.00 75.32 O ATOM 779 CB PRO A 46 19.348 4.332 -2.954 1.00 54.45 C ATOM 780 CG PRO A 46 18.406 4.814 -1.905 1.00 40.44 C ATOM 781 CD PRO A 46 17.469 5.767 -2.596 1.00 5.15 C ATOM 0 HA PRO A 46 19.085 4.528 -5.139 1.00 25.52 H new ATOM 0 HB2 PRO A 46 19.740 3.344 -2.711 1.00 54.45 H new ATOM 0 HB3 PRO A 46 20.205 4.999 -3.054 1.00 54.45 H new ATOM 0 HG2 PRO A 46 17.859 3.983 -1.460 1.00 40.44 H new ATOM 0 HG3 PRO A 46 18.943 5.311 -1.097 1.00 40.44 H new ATOM 0 HD2 PRO A 46 16.471 5.736 -2.160 1.00 5.15 H new ATOM 0 HD3 PRO A 46 17.817 6.797 -2.522 1.00 5.15 H new ATOM 789 N GLU A 47 16.846 2.597 -3.793 1.00 23.01 N ATOM 790 CA GLU A 47 16.206 1.294 -3.926 1.00 31.31 C ATOM 791 C GLU A 47 15.744 1.058 -5.361 1.00 43.32 C ATOM 792 O GLU A 47 15.932 -0.026 -5.915 1.00 14.35 O ATOM 793 CB GLU A 47 15.015 1.186 -2.971 1.00 52.24 C ATOM 794 CG GLU A 47 15.361 0.553 -1.634 1.00 65.25 C ATOM 795 CD GLU A 47 15.039 -0.928 -1.589 1.00 72.13 C ATOM 796 OE1 GLU A 47 13.839 -1.274 -1.601 1.00 53.33 O ATOM 797 OE2 GLU A 47 15.985 -1.741 -1.542 1.00 4.02 O ATOM 0 H GLU A 47 16.378 3.233 -3.147 1.00 23.01 H new ATOM 0 HA GLU A 47 16.940 0.530 -3.669 1.00 31.31 H new ATOM 0 HB2 GLU A 47 14.608 2.182 -2.797 1.00 52.24 H new ATOM 0 HB3 GLU A 47 14.230 0.600 -3.448 1.00 52.24 H new ATOM 0 HG2 GLU A 47 16.423 0.696 -1.432 1.00 65.25 H new ATOM 0 HG3 GLU A 47 14.814 1.064 -0.842 1.00 65.25 H new ATOM 804 N ILE A 48 15.140 2.081 -5.957 1.00 61.43 N ATOM 805 CA ILE A 48 14.652 1.986 -7.328 1.00 23.55 C ATOM 806 C ILE A 48 15.725 2.412 -8.324 1.00 22.52 C ATOM 807 O ILE A 48 15.729 1.972 -9.473 1.00 1.21 O ATOM 808 CB ILE A 48 13.397 2.853 -7.540 1.00 23.42 C ATOM 809 CG1 ILE A 48 13.657 4.287 -7.075 1.00 22.01 C ATOM 810 CG2 ILE A 48 12.210 2.257 -6.798 1.00 61.41 C ATOM 811 CD1 ILE A 48 13.230 5.334 -8.079 1.00 54.40 C ATOM 0 H ILE A 48 14.977 2.984 -5.513 1.00 61.43 H new ATOM 0 HA ILE A 48 14.395 0.941 -7.500 1.00 23.55 H new ATOM 0 HB ILE A 48 13.163 2.873 -8.604 1.00 23.42 H new ATOM 0 HG12 ILE A 48 13.129 4.458 -6.137 1.00 22.01 H new ATOM 0 HG13 ILE A 48 14.721 4.406 -6.868 1.00 22.01 H new ATOM 0 HG21 ILE A 48 11.331 2.881 -6.957 1.00 61.41 H new ATOM 0 HG22 ILE A 48 12.014 1.252 -7.172 1.00 61.41 H new ATOM 0 HG23 ILE A 48 12.433 2.210 -5.732 1.00 61.41 H new ATOM 0 HD11 ILE A 48 13.444 6.327 -7.683 1.00 54.40 H new ATOM 0 HD12 ILE A 48 13.777 5.189 -9.011 1.00 54.40 H new ATOM 0 HD13 ILE A 48 12.161 5.242 -8.268 1.00 54.40 H new ATOM 823 N ASN A 49 16.636 3.269 -7.874 1.00 54.11 N ATOM 824 CA ASN A 49 17.716 3.754 -8.726 1.00 15.01 C ATOM 825 C ASN A 49 18.959 4.070 -7.901 1.00 1.44 C ATOM 826 O ASN A 49 19.071 5.129 -7.282 1.00 42.01 O ATOM 827 CB ASN A 49 17.268 5.000 -9.493 1.00 11.13 C ATOM 828 CG ASN A 49 17.954 5.128 -10.839 1.00 71.22 C ATOM 829 OD1 ASN A 49 19.178 5.034 -10.936 1.00 55.13 O ATOM 830 ND2 ASN A 49 17.166 5.343 -11.886 1.00 40.22 N ATOM 0 H ASN A 49 16.648 3.642 -6.925 1.00 54.11 H new ATOM 0 HA ASN A 49 17.965 2.967 -9.438 1.00 15.01 H new ATOM 0 HB2 ASN A 49 16.189 4.964 -9.640 1.00 11.13 H new ATOM 0 HB3 ASN A 49 17.479 5.887 -8.895 1.00 11.13 H new ATOM 0 HD21 ASN A 49 17.570 5.437 -12.818 1.00 40.22 H new ATOM 0 HD22 ASN A 49 16.156 5.414 -11.758 1.00 40.22 H new ATOM 837 N PRO A 50 19.917 3.132 -7.890 1.00 60.33 N ATOM 838 CA PRO A 50 21.170 3.288 -7.146 1.00 64.23 C ATOM 839 C PRO A 50 22.080 4.348 -7.758 1.00 55.21 C ATOM 840 O PRO A 50 22.735 5.106 -7.042 1.00 72.42 O ATOM 841 CB PRO A 50 21.818 1.905 -7.248 1.00 61.43 C ATOM 842 CG PRO A 50 21.252 1.312 -8.492 1.00 51.03 C ATOM 843 CD PRO A 50 19.851 1.846 -8.605 1.00 34.34 C ATOM 0 HA PRO A 50 20.997 3.619 -6.122 1.00 64.23 H new ATOM 0 HB2 PRO A 50 22.904 1.980 -7.304 1.00 61.43 H new ATOM 0 HB3 PRO A 50 21.585 1.293 -6.376 1.00 61.43 H new ATOM 0 HG2 PRO A 50 21.847 1.590 -9.362 1.00 51.03 H new ATOM 0 HG3 PRO A 50 21.252 0.223 -8.440 1.00 51.03 H new ATOM 0 HD2 PRO A 50 19.555 1.979 -9.645 1.00 34.34 H new ATOM 0 HD3 PRO A 50 19.126 1.171 -8.151 1.00 34.34 H new ATOM 851 N ASP A 51 22.114 4.397 -9.085 1.00 60.22 N ATOM 852 CA ASP A 51 22.942 5.366 -9.794 1.00 0.05 C ATOM 853 C ASP A 51 22.480 6.791 -9.504 1.00 34.53 C ATOM 854 O ASP A 51 23.285 7.660 -9.166 1.00 73.43 O ATOM 855 CB ASP A 51 22.901 5.100 -11.299 1.00 64.21 C ATOM 856 CG ASP A 51 23.770 3.925 -11.703 1.00 31.42 C ATOM 857 OD1 ASP A 51 23.487 2.796 -11.251 1.00 24.45 O ATOM 858 OD2 ASP A 51 24.733 4.134 -12.470 1.00 73.05 O ATOM 0 H ASP A 51 21.578 3.777 -9.692 1.00 60.22 H new ATOM 0 HA ASP A 51 23.968 5.257 -9.442 1.00 0.05 H new ATOM 0 HB2 ASP A 51 21.872 4.909 -11.603 1.00 64.21 H new ATOM 0 HB3 ASP A 51 23.230 5.992 -11.832 1.00 64.21 H new ATOM 863 N LEU A 52 21.179 7.024 -9.638 1.00 73.43 N ATOM 864 CA LEU A 52 20.608 8.343 -9.392 1.00 3.43 C ATOM 865 C LEU A 52 20.787 8.750 -7.933 1.00 5.24 C ATOM 866 O LEU A 52 20.839 9.937 -7.611 1.00 23.24 O ATOM 867 CB LEU A 52 19.123 8.355 -9.758 1.00 1.43 C ATOM 868 CG LEU A 52 18.733 9.225 -10.953 1.00 44.42 C ATOM 869 CD1 LEU A 52 17.303 8.935 -11.381 1.00 0.33 C ATOM 870 CD2 LEU A 52 18.903 10.700 -10.617 1.00 70.15 C ATOM 0 H LEU A 52 20.499 6.316 -9.916 1.00 73.43 H new ATOM 0 HA LEU A 52 21.136 9.062 -10.018 1.00 3.43 H new ATOM 0 HB2 LEU A 52 18.812 7.331 -9.963 1.00 1.43 H new ATOM 0 HB3 LEU A 52 18.558 8.692 -8.889 1.00 1.43 H new ATOM 0 HG LEU A 52 19.395 8.984 -11.785 1.00 44.42 H new ATOM 0 HD11 LEU A 52 17.044 9.564 -12.233 1.00 0.33 H new ATOM 0 HD12 LEU A 52 17.213 7.886 -11.664 1.00 0.33 H new ATOM 0 HD13 LEU A 52 16.626 9.147 -10.554 1.00 0.33 H new ATOM 0 HD21 LEU A 52 18.621 11.304 -11.479 1.00 70.15 H new ATOM 0 HD22 LEU A 52 18.266 10.956 -9.770 1.00 70.15 H new ATOM 0 HD23 LEU A 52 19.944 10.897 -10.361 1.00 70.15 H new ATOM 882 N ALA A 53 20.884 7.757 -7.054 1.00 54.34 N ATOM 883 CA ALA A 53 21.062 8.012 -5.630 1.00 75.43 C ATOM 884 C ALA A 53 22.421 8.643 -5.351 1.00 23.10 C ATOM 885 O ALA A 53 22.590 9.369 -4.372 1.00 73.41 O ATOM 886 CB ALA A 53 20.904 6.721 -4.840 1.00 23.00 C ATOM 0 H ALA A 53 20.842 6.769 -7.304 1.00 54.34 H new ATOM 0 HA ALA A 53 20.293 8.716 -5.313 1.00 75.43 H new ATOM 0 HB1 ALA A 53 21.039 6.925 -3.778 1.00 23.00 H new ATOM 0 HB2 ALA A 53 19.907 6.312 -5.007 1.00 23.00 H new ATOM 0 HB3 ALA A 53 21.652 5.999 -5.169 1.00 23.00 H new ATOM 892 N ASN A 54 23.389 8.361 -6.217 1.00 72.54 N ATOM 893 CA ASN A 54 24.735 8.900 -6.063 1.00 11.14 C ATOM 894 C ASN A 54 24.747 10.408 -6.295 1.00 34.12 C ATOM 895 O ASN A 54 25.488 11.140 -5.641 1.00 3.21 O ATOM 896 CB ASN A 54 25.696 8.215 -7.036 1.00 43.30 C ATOM 897 CG ASN A 54 26.567 7.177 -6.355 1.00 1.44 C ATOM 898 OD1 ASN A 54 27.328 7.493 -5.440 1.00 43.31 O ATOM 899 ND2 ASN A 54 26.459 5.931 -6.799 1.00 35.43 N ATOM 0 H ASN A 54 23.266 7.762 -7.033 1.00 72.54 H new ATOM 0 HA ASN A 54 25.063 8.705 -5.042 1.00 11.14 H new ATOM 0 HB2 ASN A 54 25.124 7.739 -7.833 1.00 43.30 H new ATOM 0 HB3 ASN A 54 26.331 8.967 -7.505 1.00 43.30 H new ATOM 0 HD21 ASN A 54 27.020 5.190 -6.379 1.00 35.43 H new ATOM 0 HD22 ASN A 54 25.815 5.715 -7.560 1.00 35.43 H new ATOM 906 N GLU A 55 23.919 10.864 -7.230 1.00 70.40 N ATOM 907 CA GLU A 55 23.835 12.284 -7.548 1.00 52.21 C ATOM 908 C GLU A 55 23.561 13.108 -6.293 1.00 21.42 C ATOM 909 O GLU A 55 24.328 14.006 -5.947 1.00 1.23 O ATOM 910 CB GLU A 55 22.737 12.533 -8.584 1.00 54.41 C ATOM 911 CG GLU A 55 22.832 11.629 -9.801 1.00 52.05 C ATOM 912 CD GLU A 55 21.973 12.111 -10.955 1.00 4.02 C ATOM 913 OE1 GLU A 55 21.099 12.972 -10.725 1.00 2.30 O ATOM 914 OE2 GLU A 55 22.177 11.626 -12.088 1.00 12.32 O ATOM 0 H GLU A 55 23.298 10.271 -7.780 1.00 70.40 H new ATOM 0 HA GLU A 55 24.794 12.594 -7.963 1.00 52.21 H new ATOM 0 HB2 GLU A 55 21.765 12.391 -8.112 1.00 54.41 H new ATOM 0 HB3 GLU A 55 22.785 13.572 -8.909 1.00 54.41 H new ATOM 0 HG2 GLU A 55 23.871 11.571 -10.126 1.00 52.05 H new ATOM 0 HG3 GLU A 55 22.528 10.620 -9.524 1.00 52.05 H new ATOM 921 N VAL A 56 22.462 12.794 -5.615 1.00 15.33 N ATOM 922 CA VAL A 56 22.086 13.504 -4.398 1.00 33.34 C ATOM 923 C VAL A 56 23.142 13.330 -3.312 1.00 40.21 C ATOM 924 O VAL A 56 23.289 14.178 -2.431 1.00 54.14 O ATOM 925 CB VAL A 56 20.728 13.015 -3.860 1.00 13.02 C ATOM 926 CG1 VAL A 56 20.803 11.545 -3.476 1.00 74.05 C ATOM 927 CG2 VAL A 56 20.289 13.862 -2.675 1.00 35.22 C ATOM 0 H VAL A 56 21.816 12.053 -5.888 1.00 15.33 H new ATOM 0 HA VAL A 56 22.007 14.559 -4.659 1.00 33.34 H new ATOM 0 HB VAL A 56 19.984 13.122 -4.650 1.00 13.02 H new ATOM 0 HG11 VAL A 56 19.834 11.218 -3.098 1.00 74.05 H new ATOM 0 HG12 VAL A 56 21.070 10.953 -4.352 1.00 74.05 H new ATOM 0 HG13 VAL A 56 21.559 11.409 -2.702 1.00 74.05 H new ATOM 0 HG21 VAL A 56 19.328 13.503 -2.307 1.00 35.22 H new ATOM 0 HG22 VAL A 56 21.032 13.789 -1.881 1.00 35.22 H new ATOM 0 HG23 VAL A 56 20.193 14.902 -2.987 1.00 35.22 H new ATOM 937 N LYS A 57 23.877 12.226 -3.381 1.00 24.30 N ATOM 938 CA LYS A 57 24.923 11.940 -2.406 1.00 32.04 C ATOM 939 C LYS A 57 26.172 12.767 -2.689 1.00 45.43 C ATOM 940 O LYS A 57 26.930 13.096 -1.777 1.00 21.41 O ATOM 941 CB LYS A 57 25.270 10.450 -2.422 1.00 25.31 C ATOM 942 CG LYS A 57 26.571 10.121 -1.709 1.00 35.43 C ATOM 943 CD LYS A 57 26.531 10.548 -0.251 1.00 75.40 C ATOM 944 CE LYS A 57 25.551 9.703 0.550 1.00 4.43 C ATOM 945 NZ LYS A 57 26.029 8.302 0.711 1.00 42.21 N ATOM 0 H LYS A 57 23.768 11.514 -4.103 1.00 24.30 H new ATOM 0 HA LYS A 57 24.548 12.209 -1.419 1.00 32.04 H new ATOM 0 HB2 LYS A 57 24.458 9.891 -1.956 1.00 25.31 H new ATOM 0 HB3 LYS A 57 25.337 10.112 -3.456 1.00 25.31 H new ATOM 0 HG2 LYS A 57 26.760 9.049 -1.770 1.00 35.43 H new ATOM 0 HG3 LYS A 57 27.399 10.620 -2.213 1.00 35.43 H new ATOM 0 HD2 LYS A 57 27.527 10.461 0.182 1.00 75.40 H new ATOM 0 HD3 LYS A 57 26.246 11.598 -0.186 1.00 75.40 H new ATOM 0 HE2 LYS A 57 25.403 10.151 1.532 1.00 4.43 H new ATOM 0 HE3 LYS A 57 24.582 9.701 0.052 1.00 4.43 H new ATOM 0 HZ1 LYS A 57 25.447 7.816 1.423 1.00 42.21 H new ATOM 0 HZ2 LYS A 57 25.953 7.802 -0.198 1.00 42.21 H new ATOM 0 HZ3 LYS A 57 27.022 8.307 1.021 1.00 42.21 H new ATOM 959 N GLU A 58 26.380 13.102 -3.959 1.00 72.21 N ATOM 960 CA GLU A 58 27.538 13.892 -4.361 1.00 33.20 C ATOM 961 C GLU A 58 27.463 15.301 -3.781 1.00 13.21 C ATOM 962 O GLU A 58 28.406 15.773 -3.145 1.00 51.13 O ATOM 963 CB GLU A 58 27.631 13.961 -5.887 1.00 23.33 C ATOM 964 CG GLU A 58 28.169 12.690 -6.522 1.00 24.55 C ATOM 965 CD GLU A 58 28.835 12.943 -7.860 1.00 72.44 C ATOM 966 OE1 GLU A 58 28.200 13.581 -8.726 1.00 63.03 O ATOM 967 OE2 GLU A 58 29.989 12.502 -8.043 1.00 1.54 O ATOM 0 H GLU A 58 25.762 12.839 -4.726 1.00 72.21 H new ATOM 0 HA GLU A 58 28.432 13.404 -3.971 1.00 33.20 H new ATOM 0 HB2 GLU A 58 26.642 14.170 -6.294 1.00 23.33 H new ATOM 0 HB3 GLU A 58 28.273 14.796 -6.166 1.00 23.33 H new ATOM 0 HG2 GLU A 58 28.886 12.226 -5.845 1.00 24.55 H new ATOM 0 HG3 GLU A 58 27.352 11.981 -6.655 1.00 24.55 H new ATOM 974 N ILE A 59 26.335 15.968 -4.005 1.00 22.40 N ATOM 975 CA ILE A 59 26.137 17.322 -3.505 1.00 14.14 C ATOM 976 C ILE A 59 26.272 17.373 -1.986 1.00 73.45 C ATOM 977 O ILE A 59 26.689 18.385 -1.423 1.00 24.04 O ATOM 978 CB ILE A 59 24.755 17.873 -3.904 1.00 41.14 C ATOM 979 CG1 ILE A 59 23.644 16.992 -3.329 1.00 4.12 C ATOM 980 CG2 ILE A 59 24.638 17.961 -5.419 1.00 31.23 C ATOM 981 CD1 ILE A 59 22.253 17.515 -3.608 1.00 13.13 C ATOM 0 H ILE A 59 25.545 15.592 -4.529 1.00 22.40 H new ATOM 0 HA ILE A 59 26.911 17.941 -3.958 1.00 14.14 H new ATOM 0 HB ILE A 59 24.647 18.876 -3.491 1.00 41.14 H new ATOM 0 HG12 ILE A 59 23.736 15.988 -3.744 1.00 4.12 H new ATOM 0 HG13 ILE A 59 23.781 16.905 -2.251 1.00 4.12 H new ATOM 0 HG21 ILE A 59 23.656 18.352 -5.686 1.00 31.23 H new ATOM 0 HG22 ILE A 59 25.411 18.626 -5.806 1.00 31.23 H new ATOM 0 HG23 ILE A 59 24.763 16.969 -5.852 1.00 31.23 H new ATOM 0 HD11 ILE A 59 21.516 16.841 -3.171 1.00 13.13 H new ATOM 0 HD12 ILE A 59 22.142 18.507 -3.169 1.00 13.13 H new ATOM 0 HD13 ILE A 59 22.096 17.575 -4.685 1.00 13.13 H new ATOM 993 N LEU A 60 25.917 16.274 -1.330 1.00 23.42 N ATOM 994 CA LEU A 60 26.001 16.191 0.124 1.00 33.23 C ATOM 995 C LEU A 60 27.442 16.351 0.597 1.00 11.42 C ATOM 996 O LEU A 60 27.722 17.121 1.516 1.00 42.40 O ATOM 997 CB LEU A 60 25.438 14.855 0.612 1.00 71.41 C ATOM 998 CG LEU A 60 23.914 14.762 0.704 1.00 24.34 C ATOM 999 CD1 LEU A 60 23.491 13.378 1.173 1.00 45.11 C ATOM 1000 CD2 LEU A 60 23.371 15.833 1.639 1.00 74.41 C ATOM 0 H LEU A 60 25.568 15.428 -1.781 1.00 23.42 H new ATOM 0 HA LEU A 60 25.408 17.004 0.544 1.00 33.23 H new ATOM 0 HB2 LEU A 60 25.790 14.069 -0.056 1.00 71.41 H new ATOM 0 HB3 LEU A 60 25.855 14.646 1.597 1.00 71.41 H new ATOM 0 HG LEU A 60 23.498 14.929 -0.289 1.00 24.34 H new ATOM 0 HD11 LEU A 60 22.404 13.331 1.232 1.00 45.11 H new ATOM 0 HD12 LEU A 60 23.849 12.629 0.466 1.00 45.11 H new ATOM 0 HD13 LEU A 60 23.917 13.181 2.157 1.00 45.11 H new ATOM 0 HD21 LEU A 60 22.285 15.753 1.693 1.00 74.41 H new ATOM 0 HD22 LEU A 60 23.795 15.696 2.634 1.00 74.41 H new ATOM 0 HD23 LEU A 60 23.643 16.818 1.261 1.00 74.41 H new ATOM 1012 N ASP A 61 28.352 15.621 -0.038 1.00 1.51 N ATOM 1013 CA ASP A 61 29.766 15.685 0.315 1.00 14.22 C ATOM 1014 C ASP A 61 30.292 17.112 0.193 1.00 24.30 C ATOM 1015 O ASP A 61 31.252 17.489 0.865 1.00 4.42 O ATOM 1016 CB ASP A 61 30.580 14.749 -0.580 1.00 15.34 C ATOM 1017 CG ASP A 61 31.926 14.399 0.022 1.00 20.44 C ATOM 1018 OD1 ASP A 61 31.962 13.557 0.944 1.00 63.11 O ATOM 1019 OD2 ASP A 61 32.944 14.966 -0.427 1.00 55.45 O ATOM 0 H ASP A 61 28.136 14.978 -0.800 1.00 1.51 H new ATOM 0 HA ASP A 61 29.872 15.366 1.352 1.00 14.22 H new ATOM 0 HB2 ASP A 61 30.014 13.834 -0.754 1.00 15.34 H new ATOM 0 HB3 ASP A 61 30.731 15.220 -1.551 1.00 15.34 H new ATOM 1024 N TYR A 62 29.659 17.899 -0.669 1.00 62.35 N ATOM 1025 CA TYR A 62 30.066 19.282 -0.883 1.00 2.53 C ATOM 1026 C TYR A 62 29.406 20.208 0.135 1.00 31.41 C ATOM 1027 O TYR A 62 29.945 21.261 0.475 1.00 14.51 O ATOM 1028 CB TYR A 62 29.708 19.729 -2.301 1.00 65.44 C ATOM 1029 CG TYR A 62 29.661 21.230 -2.470 1.00 51.40 C ATOM 1030 CD1 TYR A 62 30.818 21.995 -2.390 1.00 12.41 C ATOM 1031 CD2 TYR A 62 28.459 21.884 -2.711 1.00 15.25 C ATOM 1032 CE1 TYR A 62 30.779 23.368 -2.543 1.00 34.24 C ATOM 1033 CE2 TYR A 62 28.410 23.256 -2.866 1.00 1.10 C ATOM 1034 CZ TYR A 62 29.573 23.993 -2.781 1.00 14.43 C ATOM 1035 OH TYR A 62 29.530 25.360 -2.935 1.00 14.22 O ATOM 0 H TYR A 62 28.861 17.603 -1.231 1.00 62.35 H new ATOM 0 HA TYR A 62 31.147 19.339 -0.753 1.00 2.53 H new ATOM 0 HB2 TYR A 62 30.438 19.316 -2.998 1.00 65.44 H new ATOM 0 HB3 TYR A 62 28.738 19.311 -2.570 1.00 65.44 H new ATOM 0 HD1 TYR A 62 31.764 21.508 -2.205 1.00 12.41 H new ATOM 0 HD2 TYR A 62 27.547 21.310 -2.778 1.00 15.25 H new ATOM 0 HE1 TYR A 62 31.688 23.948 -2.477 1.00 34.24 H new ATOM 0 HE2 TYR A 62 27.467 23.748 -3.053 1.00 1.10 H new ATOM 0 HH TYR A 62 28.606 25.642 -3.097 1.00 14.22 H new ATOM 1045 N HIS A 63 28.235 19.805 0.619 1.00 71.14 N ATOM 1046 CA HIS A 63 27.500 20.596 1.599 1.00 12.10 C ATOM 1047 C HIS A 63 28.210 20.585 2.949 1.00 23.32 C ATOM 1048 O HIS A 63 28.039 21.495 3.761 1.00 70.33 O ATOM 1049 CB HIS A 63 26.076 20.060 1.754 1.00 3.31 C ATOM 1050 CG HIS A 63 25.292 20.065 0.478 1.00 1.31 C ATOM 1051 ND1 HIS A 63 24.257 19.189 0.227 1.00 4.02 N ATOM 1052 CD2 HIS A 63 25.395 20.848 -0.621 1.00 41.13 C ATOM 1053 CE1 HIS A 63 23.759 19.431 -0.972 1.00 40.40 C ATOM 1054 NE2 HIS A 63 24.432 20.434 -1.508 1.00 14.02 N ATOM 0 H HIS A 63 27.775 18.936 0.348 1.00 71.14 H new ATOM 0 HA HIS A 63 27.456 21.624 1.240 1.00 12.10 H new ATOM 0 HB2 HIS A 63 26.120 19.042 2.140 1.00 3.31 H new ATOM 0 HB3 HIS A 63 25.550 20.660 2.497 1.00 3.31 H new ATOM 0 HD2 HIS A 63 26.103 21.649 -0.772 1.00 41.13 H new ATOM 0 HE1 HIS A 63 22.941 18.900 -1.436 1.00 40.40 H new ATOM 0 HE2 HIS A 63 24.264 20.835 -2.430 1.00 14.02 H new ATOM 1062 N LYS A 64 29.008 19.548 3.184 1.00 52.31 N ATOM 1063 CA LYS A 64 29.745 19.417 4.435 1.00 41.40 C ATOM 1064 C LYS A 64 31.048 20.208 4.384 1.00 44.23 C ATOM 1065 O LYS A 64 31.567 20.635 5.415 1.00 4.10 O ATOM 1066 CB LYS A 64 30.041 17.944 4.725 1.00 41.23 C ATOM 1067 CG LYS A 64 28.889 17.212 5.391 1.00 61.13 C ATOM 1068 CD LYS A 64 29.235 16.805 6.813 1.00 11.24 C ATOM 1069 CE LYS A 64 28.823 17.874 7.814 1.00 35.43 C ATOM 1070 NZ LYS A 64 27.403 17.720 8.237 1.00 72.44 N ATOM 0 H LYS A 64 29.160 18.786 2.524 1.00 52.31 H new ATOM 0 HA LYS A 64 29.126 19.821 5.236 1.00 41.40 H new ATOM 0 HB2 LYS A 64 30.288 17.441 3.790 1.00 41.23 H new ATOM 0 HB3 LYS A 64 30.921 17.878 5.365 1.00 41.23 H new ATOM 0 HG2 LYS A 64 28.006 17.852 5.399 1.00 61.13 H new ATOM 0 HG3 LYS A 64 28.635 16.326 4.809 1.00 61.13 H new ATOM 0 HD2 LYS A 64 28.737 15.866 7.056 1.00 11.24 H new ATOM 0 HD3 LYS A 64 30.307 16.626 6.891 1.00 11.24 H new ATOM 0 HE2 LYS A 64 29.470 17.821 8.689 1.00 35.43 H new ATOM 0 HE3 LYS A 64 28.965 18.860 7.372 1.00 35.43 H new ATOM 0 HZ1 LYS A 64 27.161 18.467 8.919 1.00 72.44 H new ATOM 0 HZ2 LYS A 64 26.783 17.796 7.406 1.00 72.44 H new ATOM 0 HZ3 LYS A 64 27.272 16.789 8.682 1.00 72.44 H new ATOM 1084 N SER A 65 31.571 20.401 3.177 1.00 64.20 N ATOM 1085 CA SER A 65 32.816 21.138 2.992 1.00 54.50 C ATOM 1086 C SER A 65 32.657 22.590 3.434 1.00 43.21 C ATOM 1087 O SER A 65 33.428 23.088 4.255 1.00 31.35 O ATOM 1088 CB SER A 65 33.252 21.084 1.527 1.00 43.33 C ATOM 1089 OG SER A 65 34.117 19.986 1.293 1.00 53.05 O ATOM 0 H SER A 65 31.152 20.057 2.313 1.00 64.20 H new ATOM 0 HA SER A 65 33.583 20.670 3.609 1.00 54.50 H new ATOM 0 HB2 SER A 65 32.374 21.003 0.886 1.00 43.33 H new ATOM 0 HB3 SER A 65 33.757 22.012 1.260 1.00 43.33 H new ATOM 0 HG SER A 65 34.380 19.972 0.349 1.00 53.05 H new ATOM 1095 N ILE A 66 31.653 23.264 2.883 1.00 63.44 N ATOM 1096 CA ILE A 66 31.393 24.657 3.220 1.00 13.40 C ATOM 1097 C ILE A 66 30.548 24.768 4.485 1.00 51.23 C ATOM 1098 O ILE A 66 30.278 25.868 4.969 1.00 62.51 O ATOM 1099 CB ILE A 66 30.675 25.390 2.071 1.00 10.10 C ATOM 1100 CG1 ILE A 66 29.166 25.152 2.149 1.00 34.22 C ATOM 1101 CG2 ILE A 66 31.220 24.930 0.727 1.00 4.33 C ATOM 1102 CD1 ILE A 66 28.777 23.695 2.026 1.00 54.24 C ATOM 0 H ILE A 66 31.006 22.867 2.201 1.00 63.44 H new ATOM 0 HA ILE A 66 32.362 25.126 3.390 1.00 13.40 H new ATOM 0 HB ILE A 66 30.861 26.459 2.170 1.00 10.10 H new ATOM 0 HG12 ILE A 66 28.794 25.540 3.097 1.00 34.22 H new ATOM 0 HG13 ILE A 66 28.676 25.719 1.358 1.00 34.22 H new ATOM 0 HG21 ILE A 66 30.703 25.457 -0.075 1.00 4.33 H new ATOM 0 HG22 ILE A 66 32.287 25.146 0.674 1.00 4.33 H new ATOM 0 HG23 ILE A 66 31.061 23.857 0.618 1.00 4.33 H new ATOM 0 HD11 ILE A 66 27.693 23.601 2.090 1.00 54.24 H new ATOM 0 HD12 ILE A 66 29.119 23.307 1.067 1.00 54.24 H new ATOM 0 HD13 ILE A 66 29.239 23.126 2.833 1.00 54.24 H new ATOM 1114 N ARG A 67 30.135 23.622 5.016 1.00 12.20 N ATOM 1115 CA ARG A 67 29.321 23.590 6.225 1.00 0.23 C ATOM 1116 C ARG A 67 29.948 24.442 7.325 1.00 20.12 C ATOM 1117 O ARG A 67 29.244 25.097 8.095 1.00 24.31 O ATOM 1118 CB ARG A 67 29.152 22.150 6.714 1.00 3.50 C ATOM 1119 CG ARG A 67 28.408 22.039 8.034 1.00 31.25 C ATOM 1120 CD ARG A 67 27.026 22.668 7.950 1.00 72.53 C ATOM 1121 NE ARG A 67 26.107 22.105 8.936 1.00 62.12 N ATOM 1122 CZ ARG A 67 24.863 22.536 9.111 1.00 73.55 C ATOM 1123 NH1 ARG A 67 24.391 23.528 8.369 1.00 72.02 N ATOM 1124 NH2 ARG A 67 24.087 21.973 10.028 1.00 24.45 N ATOM 0 H ARG A 67 30.351 22.704 4.628 1.00 12.20 H new ATOM 0 HA ARG A 67 28.341 24.002 5.984 1.00 0.23 H new ATOM 0 HB2 ARG A 67 28.617 21.578 5.956 1.00 3.50 H new ATOM 0 HB3 ARG A 67 30.136 21.694 6.822 1.00 3.50 H new ATOM 0 HG2 ARG A 67 28.315 20.989 8.313 1.00 31.25 H new ATOM 0 HG3 ARG A 67 28.984 22.528 8.820 1.00 31.25 H new ATOM 0 HD2 ARG A 67 27.108 23.744 8.104 1.00 72.53 H new ATOM 0 HD3 ARG A 67 26.620 22.519 6.949 1.00 72.53 H new ATOM 0 HE ARG A 67 26.439 21.339 9.522 1.00 62.12 H new ATOM 0 HH11 ARG A 67 24.984 23.962 7.661 1.00 72.02 H new ATOM 0 HH12 ARG A 67 23.435 23.857 8.506 1.00 72.02 H new ATOM 0 HH21 ARG A 67 24.446 21.208 10.600 1.00 24.45 H new ATOM 0 HH22 ARG A 67 23.132 22.305 10.161 1.00 24.45 H new ATOM 1138 N HIS A 68 31.275 24.428 7.393 1.00 25.13 N ATOM 1139 CA HIS A 68 31.998 25.199 8.399 1.00 54.00 C ATOM 1140 C HIS A 68 31.550 26.657 8.390 1.00 13.53 C ATOM 1141 O HIS A 68 31.512 27.313 9.433 1.00 64.42 O ATOM 1142 CB HIS A 68 33.504 25.115 8.152 1.00 22.41 C ATOM 1143 CG HIS A 68 34.270 24.549 9.309 1.00 51.54 C ATOM 1144 ND1 HIS A 68 33.974 24.843 10.623 1.00 54.21 N ATOM 1145 CD2 HIS A 68 35.325 23.702 9.343 1.00 52.14 C ATOM 1146 CE1 HIS A 68 34.814 24.202 11.415 1.00 4.42 C ATOM 1147 NE2 HIS A 68 35.644 23.502 10.663 1.00 3.41 N ATOM 0 H HIS A 68 31.872 23.891 6.764 1.00 25.13 H new ATOM 0 HA HIS A 68 31.774 24.774 9.377 1.00 54.00 H new ATOM 0 HB2 HIS A 68 33.686 24.500 7.271 1.00 22.41 H new ATOM 0 HB3 HIS A 68 33.883 26.112 7.928 1.00 22.41 H new ATOM 0 HD2 HIS A 68 35.823 23.265 8.490 1.00 52.14 H new ATOM 0 HE1 HIS A 68 34.821 24.243 12.494 1.00 4.42 H new ATOM 0 HE2 HIS A 68 36.399 22.909 11.007 1.00 3.41 H new ATOM 1155 N LEU A 69 31.211 27.160 7.208 1.00 3.22 N ATOM 1156 CA LEU A 69 30.766 28.542 7.063 1.00 23.04 C ATOM 1157 C LEU A 69 29.302 28.687 7.463 1.00 15.03 C ATOM 1158 O LEU A 69 28.899 29.705 8.026 1.00 5.34 O ATOM 1159 CB LEU A 69 30.962 29.013 5.621 1.00 2.24 C ATOM 1160 CG LEU A 69 32.382 28.901 5.066 1.00 44.42 C ATOM 1161 CD1 LEU A 69 32.354 28.757 3.552 1.00 13.32 C ATOM 1162 CD2 LEU A 69 33.211 30.111 5.473 1.00 51.45 C ATOM 0 H LEU A 69 31.236 26.632 6.336 1.00 3.22 H new ATOM 0 HA LEU A 69 31.368 29.163 7.726 1.00 23.04 H new ATOM 0 HB2 LEU A 69 30.296 28.438 4.978 1.00 2.24 H new ATOM 0 HB3 LEU A 69 30.648 30.055 5.554 1.00 2.24 H new ATOM 0 HG LEU A 69 32.846 28.009 5.487 1.00 44.42 H new ATOM 0 HD11 LEU A 69 33.374 28.679 3.175 1.00 13.32 H new ATOM 0 HD12 LEU A 69 31.797 27.860 3.282 1.00 13.32 H new ATOM 0 HD13 LEU A 69 31.871 29.630 3.112 1.00 13.32 H new ATOM 0 HD21 LEU A 69 34.219 30.014 5.069 1.00 51.45 H new ATOM 0 HD22 LEU A 69 32.749 31.017 5.081 1.00 51.45 H new ATOM 0 HD23 LEU A 69 33.260 30.169 6.560 1.00 51.45 H new ATOM 1174 N ARG A 70 28.509 27.661 7.170 1.00 1.13 N ATOM 1175 CA ARG A 70 27.089 27.674 7.500 1.00 21.01 C ATOM 1176 C ARG A 70 26.880 27.554 9.007 1.00 52.11 C ATOM 1177 O ARG A 70 25.870 28.009 9.542 1.00 74.03 O ATOM 1178 CB ARG A 70 26.366 26.533 6.782 1.00 65.03 C ATOM 1179 CG ARG A 70 26.755 26.391 5.319 1.00 25.12 C ATOM 1180 CD ARG A 70 25.627 25.787 4.499 1.00 54.03 C ATOM 1181 NE ARG A 70 24.484 26.690 4.392 1.00 51.34 N ATOM 1182 CZ ARG A 70 23.362 26.383 3.749 1.00 3.45 C ATOM 1183 NH1 ARG A 70 23.233 25.202 3.161 1.00 43.52 N ATOM 1184 NH2 ARG A 70 22.366 27.259 3.696 1.00 64.32 N ATOM 0 H ARG A 70 28.826 26.810 6.705 1.00 1.13 H new ATOM 0 HA ARG A 70 26.673 28.625 7.167 1.00 21.01 H new ATOM 0 HB2 ARG A 70 26.579 25.597 7.298 1.00 65.03 H new ATOM 0 HB3 ARG A 70 25.290 26.696 6.849 1.00 65.03 H new ATOM 0 HG2 ARG A 70 27.017 27.369 4.915 1.00 25.12 H new ATOM 0 HG3 ARG A 70 27.643 25.764 5.237 1.00 25.12 H new ATOM 0 HD2 ARG A 70 25.993 25.546 3.501 1.00 54.03 H new ATOM 0 HD3 ARG A 70 25.308 24.851 4.956 1.00 54.03 H new ATOM 0 HE ARG A 70 24.550 27.606 4.835 1.00 51.34 H new ATOM 0 HH11 ARG A 70 23.996 24.526 3.201 1.00 43.52 H new ATOM 0 HH12 ARG A 70 22.371 24.969 2.668 1.00 43.52 H new ATOM 0 HH21 ARG A 70 22.462 28.168 4.149 1.00 64.32 H new ATOM 0 HH22 ARG A 70 21.505 27.023 3.202 1.00 64.32 H new