USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 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= 0.414 USER MOD Set 1.2: A 36 THR OG1 : rot 81:sc= 0.455 USER MOD Set 2.1: A 15 TYR OH : rot -141:sc= -0.408 USER MOD Set 2.2: A 21 LYS NZ :NH3+ 146:sc= -0.475 (180deg=-1.49!) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.497) USER MOD Single : A 9 THR OG1 : rot -77:sc= -1.42 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 19 THR OG1 : rot -139:sc= 1.12 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -121:sc= -0.232 (180deg=-2.56!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -8.42! C(o=-8.4!,f=-9.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -67:sc= 1.24 USER MOD Single : A 49 ASN : amide:sc= -0.765 K(o=-0.77,f=-3.2!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc=-0.00443 (180deg=-0.144) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.81! C(o=-6.8!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 66:sc= 0.0354 USER MOD Single : A 68 HIS : no HD1:sc=-0.00111 X(o=-0.0011,f=-0.0087) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.619 5.958 -3.421 1.00 0.40 N ATOM 88 CA LYS A 6 8.980 5.780 -3.912 1.00 4.32 C ATOM 89 C LYS A 6 9.299 6.790 -5.010 1.00 62.31 C ATOM 90 O LYS A 6 10.459 7.139 -5.226 1.00 62.44 O ATOM 91 CB LYS A 6 9.172 4.357 -4.441 1.00 54.21 C ATOM 92 CG LYS A 6 8.841 4.207 -5.916 1.00 11.30 C ATOM 93 CD LYS A 6 10.067 4.422 -6.787 1.00 42.01 C ATOM 94 CE LYS A 6 10.348 3.210 -7.662 1.00 44.22 C ATOM 95 NZ LYS A 6 11.388 3.497 -8.689 1.00 60.21 N ATOM 0 HA LYS A 6 9.664 5.946 -3.080 1.00 4.32 H new ATOM 0 HB2 LYS A 6 10.206 4.054 -4.276 1.00 54.21 H new ATOM 0 HB3 LYS A 6 8.545 3.677 -3.865 1.00 54.21 H new ATOM 0 HG2 LYS A 6 8.433 3.213 -6.099 1.00 11.30 H new ATOM 0 HG3 LYS A 6 8.068 4.924 -6.191 1.00 11.30 H new ATOM 0 HD2 LYS A 6 9.918 5.300 -7.416 1.00 42.01 H new ATOM 0 HD3 LYS A 6 10.932 4.625 -6.156 1.00 42.01 H new ATOM 0 HE2 LYS A 6 10.674 2.379 -7.037 1.00 44.22 H new ATOM 0 HE3 LYS A 6 9.428 2.896 -8.155 1.00 44.22 H new ATOM 0 HZ1 LYS A 6 11.818 2.605 -9.006 1.00 60.21 H new ATOM 0 HZ2 LYS A 6 10.951 3.978 -9.501 1.00 60.21 H new ATOM 0 HZ3 LYS A 6 12.122 4.108 -8.278 1.00 60.21 H new ATOM 109 N GLU A 7 8.262 7.255 -5.699 1.00 10.40 N ATOM 110 CA GLU A 7 8.433 8.225 -6.774 1.00 44.41 C ATOM 111 C GLU A 7 8.519 9.644 -6.218 1.00 44.03 C ATOM 112 O GLU A 7 9.081 10.537 -6.852 1.00 50.44 O ATOM 113 CB GLU A 7 7.276 8.126 -7.770 1.00 63.44 C ATOM 114 CG GLU A 7 7.017 6.712 -8.262 1.00 73.50 C ATOM 115 CD GLU A 7 6.292 6.681 -9.593 1.00 73.35 C ATOM 116 OE1 GLU A 7 6.881 7.129 -10.599 1.00 72.25 O ATOM 117 OE2 GLU A 7 5.136 6.209 -9.630 1.00 2.13 O ATOM 0 H GLU A 7 7.295 6.976 -5.532 1.00 10.40 H new ATOM 0 HA GLU A 7 9.366 7.997 -7.289 1.00 44.41 H new ATOM 0 HB2 GLU A 7 6.370 8.510 -7.301 1.00 63.44 H new ATOM 0 HB3 GLU A 7 7.488 8.767 -8.626 1.00 63.44 H new ATOM 0 HG2 GLU A 7 7.966 6.185 -8.357 1.00 73.50 H new ATOM 0 HG3 GLU A 7 6.428 6.175 -7.519 1.00 73.50 H new ATOM 124 N ARG A 8 7.958 9.843 -5.030 1.00 64.30 N ATOM 125 CA ARG A 8 7.970 11.152 -4.389 1.00 53.11 C ATOM 126 C ARG A 8 9.398 11.663 -4.222 1.00 53.32 C ATOM 127 O ARG A 8 9.650 12.867 -4.288 1.00 21.11 O ATOM 128 CB ARG A 8 7.279 11.082 -3.026 1.00 0.31 C ATOM 129 CG ARG A 8 6.954 12.445 -2.437 1.00 44.41 C ATOM 130 CD ARG A 8 5.876 12.349 -1.369 1.00 70.44 C ATOM 131 NE ARG A 8 5.518 13.659 -0.833 1.00 35.20 N ATOM 132 CZ ARG A 8 6.278 14.337 0.019 1.00 11.02 C ATOM 133 NH1 ARG A 8 7.433 13.832 0.429 1.00 20.44 N ATOM 134 NH2 ARG A 8 5.883 15.524 0.463 1.00 65.14 N ATOM 0 H ARG A 8 7.489 9.114 -4.492 1.00 64.30 H new ATOM 0 HA ARG A 8 7.427 11.847 -5.029 1.00 53.11 H new ATOM 0 HB2 ARG A 8 6.357 10.509 -3.125 1.00 0.31 H new ATOM 0 HB3 ARG A 8 7.919 10.539 -2.331 1.00 0.31 H new ATOM 0 HG2 ARG A 8 7.856 12.881 -2.007 1.00 44.41 H new ATOM 0 HG3 ARG A 8 6.623 13.115 -3.230 1.00 44.41 H new ATOM 0 HD2 ARG A 8 4.989 11.875 -1.791 1.00 70.44 H new ATOM 0 HD3 ARG A 8 6.225 11.709 -0.559 1.00 70.44 H new ATOM 0 HE ARG A 8 4.636 14.076 -1.129 1.00 35.20 H new ATOM 0 HH11 ARG A 8 7.740 12.920 0.090 1.00 20.44 H new ATOM 0 HH12 ARG A 8 8.015 14.355 1.083 1.00 20.44 H new ATOM 0 HH21 ARG A 8 4.995 15.916 0.150 1.00 65.14 H new ATOM 0 HH22 ARG A 8 6.467 16.044 1.117 1.00 65.14 H new ATOM 148 N THR A 9 10.330 10.740 -4.005 1.00 52.41 N ATOM 149 CA THR A 9 11.732 11.097 -3.827 1.00 34.01 C ATOM 150 C THR A 9 12.425 11.290 -5.171 1.00 31.03 C ATOM 151 O THR A 9 13.384 12.054 -5.280 1.00 64.14 O ATOM 152 CB THR A 9 12.487 10.022 -3.022 1.00 53.32 C ATOM 153 OG1 THR A 9 13.881 10.342 -2.966 1.00 3.21 O ATOM 154 CG2 THR A 9 12.301 8.648 -3.648 1.00 3.05 C ATOM 0 H THR A 9 10.139 9.740 -3.948 1.00 52.41 H new ATOM 0 HA THR A 9 11.752 12.036 -3.273 1.00 34.01 H new ATOM 0 HB THR A 9 12.079 10.002 -2.012 1.00 53.32 H new ATOM 0 HG1 THR A 9 14.303 10.116 -3.821 1.00 3.21 H new ATOM 0 HG21 THR A 9 12.843 7.905 -3.063 1.00 3.05 H new ATOM 0 HG22 THR A 9 11.241 8.395 -3.663 1.00 3.05 H new ATOM 0 HG23 THR A 9 12.686 8.658 -4.668 1.00 3.05 H new ATOM 162 N ILE A 10 11.933 10.594 -6.190 1.00 42.02 N ATOM 163 CA ILE A 10 12.505 10.691 -7.527 1.00 44.03 C ATOM 164 C ILE A 10 12.656 12.147 -7.957 1.00 32.54 C ATOM 165 O ILE A 10 13.707 12.554 -8.452 1.00 13.21 O ATOM 166 CB ILE A 10 11.642 9.948 -8.564 1.00 42.32 C ATOM 167 CG1 ILE A 10 11.695 8.439 -8.317 1.00 43.33 C ATOM 168 CG2 ILE A 10 12.109 10.276 -9.975 1.00 1.55 C ATOM 169 CD1 ILE A 10 13.076 7.846 -8.494 1.00 14.21 C ATOM 0 H ILE A 10 11.140 9.957 -6.115 1.00 42.02 H new ATOM 0 HA ILE A 10 13.489 10.224 -7.483 1.00 44.03 H new ATOM 0 HB ILE A 10 10.609 10.278 -8.458 1.00 42.32 H new ATOM 0 HG12 ILE A 10 11.346 8.232 -7.305 1.00 43.33 H new ATOM 0 HG13 ILE A 10 11.005 7.943 -8.999 1.00 43.33 H new ATOM 0 HG21 ILE A 10 11.489 9.743 -10.696 1.00 1.55 H new ATOM 0 HG22 ILE A 10 12.024 11.349 -10.146 1.00 1.55 H new ATOM 0 HG23 ILE A 10 13.149 9.971 -10.094 1.00 1.55 H new ATOM 0 HD11 ILE A 10 13.039 6.773 -8.303 1.00 14.21 H new ATOM 0 HD12 ILE A 10 13.419 8.022 -9.513 1.00 14.21 H new ATOM 0 HD13 ILE A 10 13.766 8.315 -7.793 1.00 14.21 H new ATOM 181 N LYS A 11 11.599 12.927 -7.762 1.00 15.32 N ATOM 182 CA LYS A 11 11.612 14.339 -8.125 1.00 42.33 C ATOM 183 C LYS A 11 12.730 15.078 -7.396 1.00 50.03 C ATOM 184 O LYS A 11 13.420 15.913 -7.982 1.00 55.22 O ATOM 185 CB LYS A 11 10.263 14.984 -7.799 1.00 41.13 C ATOM 186 CG LYS A 11 9.071 14.175 -8.279 1.00 75.00 C ATOM 187 CD LYS A 11 7.767 14.930 -8.079 1.00 44.52 C ATOM 188 CE LYS A 11 6.562 14.046 -8.358 1.00 71.11 C ATOM 189 NZ LYS A 11 5.335 14.848 -8.624 1.00 23.53 N ATOM 0 H LYS A 11 10.721 12.605 -7.354 1.00 15.32 H new ATOM 0 HA LYS A 11 11.792 14.410 -9.198 1.00 42.33 H new ATOM 0 HB2 LYS A 11 10.187 15.122 -6.721 1.00 41.13 H new ATOM 0 HB3 LYS A 11 10.225 15.975 -8.251 1.00 41.13 H new ATOM 0 HG2 LYS A 11 9.195 13.935 -9.335 1.00 75.00 H new ATOM 0 HG3 LYS A 11 9.031 13.229 -7.739 1.00 75.00 H new ATOM 0 HD2 LYS A 11 7.716 15.305 -7.057 1.00 44.52 H new ATOM 0 HD3 LYS A 11 7.743 15.798 -8.738 1.00 44.52 H new ATOM 0 HE2 LYS A 11 6.771 13.407 -9.216 1.00 71.11 H new ATOM 0 HE3 LYS A 11 6.389 13.389 -7.506 1.00 71.11 H new ATOM 0 HZ1 LYS A 11 4.536 14.209 -8.810 1.00 23.53 H new ATOM 0 HZ2 LYS A 11 5.120 15.439 -7.796 1.00 23.53 H new ATOM 0 HZ3 LYS A 11 5.491 15.457 -9.453 1.00 23.53 H new ATOM 203 N ILE A 12 12.904 14.764 -6.117 1.00 42.10 N ATOM 204 CA ILE A 12 13.940 15.397 -5.310 1.00 62.20 C ATOM 205 C ILE A 12 15.331 15.014 -5.803 1.00 25.21 C ATOM 206 O ILE A 12 16.139 15.876 -6.147 1.00 32.10 O ATOM 207 CB ILE A 12 13.810 15.012 -3.824 1.00 61.24 C ATOM 208 CG1 ILE A 12 12.408 15.346 -3.309 1.00 64.55 C ATOM 209 CG2 ILE A 12 14.868 15.727 -2.997 1.00 62.35 C ATOM 210 CD1 ILE A 12 12.197 14.986 -1.855 1.00 64.14 C ATOM 0 H ILE A 12 12.341 14.075 -5.617 1.00 42.10 H new ATOM 0 HA ILE A 12 13.805 16.474 -5.411 1.00 62.20 H new ATOM 0 HB ILE A 12 13.966 13.938 -3.727 1.00 61.24 H new ATOM 0 HG12 ILE A 12 12.226 16.413 -3.441 1.00 64.55 H new ATOM 0 HG13 ILE A 12 11.672 14.819 -3.916 1.00 64.55 H new ATOM 0 HG21 ILE A 12 14.763 15.445 -1.949 1.00 62.35 H new ATOM 0 HG22 ILE A 12 15.859 15.444 -3.351 1.00 62.35 H new ATOM 0 HG23 ILE A 12 14.741 16.805 -3.097 1.00 62.35 H new ATOM 0 HD11 ILE A 12 11.182 15.250 -1.558 1.00 64.14 H new ATOM 0 HD12 ILE A 12 12.347 13.915 -1.720 1.00 64.14 H new ATOM 0 HD13 ILE A 12 12.910 15.533 -1.238 1.00 64.14 H new ATOM 222 N GLY A 13 15.605 13.713 -5.836 1.00 34.22 N ATOM 223 CA GLY A 13 16.898 13.238 -6.290 1.00 25.33 C ATOM 224 C GLY A 13 17.252 13.749 -7.672 1.00 54.51 C ATOM 225 O GLY A 13 18.424 13.955 -7.986 1.00 3.43 O ATOM 0 H GLY A 13 14.954 12.980 -5.556 1.00 34.22 H new ATOM 0 HA2 GLY A 13 17.666 13.552 -5.583 1.00 25.33 H new ATOM 0 HA3 GLY A 13 16.899 12.148 -6.298 1.00 25.33 H new ATOM 229 N LYS A 14 16.235 13.954 -8.503 1.00 42.10 N ATOM 230 CA LYS A 14 16.443 14.444 -9.860 1.00 53.44 C ATOM 231 C LYS A 14 16.523 15.967 -9.882 1.00 51.55 C ATOM 232 O LYS A 14 17.120 16.554 -10.785 1.00 52.34 O ATOM 233 CB LYS A 14 15.311 13.969 -10.775 1.00 2.42 C ATOM 234 CG LYS A 14 15.220 12.458 -10.895 1.00 1.01 C ATOM 235 CD LYS A 14 15.828 11.965 -12.197 1.00 61.51 C ATOM 236 CE LYS A 14 15.380 10.547 -12.520 1.00 10.25 C ATOM 237 NZ LYS A 14 14.408 10.516 -13.647 1.00 70.13 N ATOM 0 H LYS A 14 15.258 13.788 -8.260 1.00 42.10 H new ATOM 0 HA LYS A 14 17.389 14.043 -10.224 1.00 53.44 H new ATOM 0 HB2 LYS A 14 14.364 14.353 -10.396 1.00 2.42 H new ATOM 0 HB3 LYS A 14 15.454 14.396 -11.768 1.00 2.42 H new ATOM 0 HG2 LYS A 14 15.734 11.994 -10.053 1.00 1.01 H new ATOM 0 HG3 LYS A 14 14.176 12.150 -10.840 1.00 1.01 H new ATOM 0 HD2 LYS A 14 15.541 12.632 -13.010 1.00 61.51 H new ATOM 0 HD3 LYS A 14 16.915 11.997 -12.127 1.00 61.51 H new ATOM 0 HE2 LYS A 14 16.249 9.940 -12.773 1.00 10.25 H new ATOM 0 HE3 LYS A 14 14.926 10.099 -11.636 1.00 10.25 H new ATOM 0 HZ1 LYS A 14 14.127 9.533 -13.836 1.00 70.13 H new ATOM 0 HZ2 LYS A 14 13.567 11.074 -13.396 1.00 70.13 H new ATOM 0 HZ3 LYS A 14 14.850 10.920 -14.498 1.00 70.13 H new ATOM 251 N TYR A 15 15.920 16.602 -8.883 1.00 72.51 N ATOM 252 CA TYR A 15 15.922 18.057 -8.789 1.00 24.53 C ATOM 253 C TYR A 15 17.236 18.562 -8.200 1.00 20.21 C ATOM 254 O TYR A 15 17.795 19.556 -8.663 1.00 53.54 O ATOM 255 CB TYR A 15 14.749 18.535 -7.932 1.00 1.10 C ATOM 256 CG TYR A 15 14.598 20.039 -7.898 1.00 3.24 C ATOM 257 CD1 TYR A 15 15.346 20.812 -7.018 1.00 21.15 C ATOM 258 CD2 TYR A 15 13.708 20.688 -8.744 1.00 73.51 C ATOM 259 CE1 TYR A 15 15.211 22.186 -6.982 1.00 3.40 C ATOM 260 CE2 TYR A 15 13.567 22.061 -8.717 1.00 4.54 C ATOM 261 CZ TYR A 15 14.321 22.806 -7.834 1.00 1.53 C ATOM 262 OH TYR A 15 14.183 24.175 -7.802 1.00 42.22 O ATOM 0 H TYR A 15 15.423 16.132 -8.126 1.00 72.51 H new ATOM 0 HA TYR A 15 15.816 18.462 -9.796 1.00 24.53 H new ATOM 0 HB2 TYR A 15 13.828 18.094 -8.313 1.00 1.10 H new ATOM 0 HB3 TYR A 15 14.880 18.168 -6.914 1.00 1.10 H new ATOM 0 HD1 TYR A 15 16.045 20.330 -6.351 1.00 21.15 H new ATOM 0 HD2 TYR A 15 13.115 20.108 -9.436 1.00 73.51 H new ATOM 0 HE1 TYR A 15 15.799 22.772 -6.291 1.00 3.40 H new ATOM 0 HE2 TYR A 15 12.871 22.549 -9.383 1.00 4.54 H new ATOM 0 HH TYR A 15 13.239 24.411 -7.914 1.00 42.22 H new ATOM 272 N ILE A 16 17.723 17.869 -7.176 1.00 63.24 N ATOM 273 CA ILE A 16 18.972 18.245 -6.525 1.00 14.12 C ATOM 274 C ILE A 16 20.109 18.353 -7.535 1.00 75.33 C ATOM 275 O ILE A 16 21.005 19.184 -7.391 1.00 62.21 O ATOM 276 CB ILE A 16 19.364 17.232 -5.433 1.00 4.41 C ATOM 277 CG1 ILE A 16 19.792 15.907 -6.066 1.00 63.02 C ATOM 278 CG2 ILE A 16 18.207 17.016 -4.470 1.00 14.21 C ATOM 279 CD1 ILE A 16 21.287 15.787 -6.264 1.00 21.51 C ATOM 0 H ILE A 16 17.272 17.045 -6.779 1.00 63.24 H new ATOM 0 HA ILE A 16 18.807 19.219 -6.064 1.00 14.12 H new ATOM 0 HB ILE A 16 20.207 17.634 -4.872 1.00 4.41 H new ATOM 0 HG12 ILE A 16 19.450 15.086 -5.436 1.00 63.02 H new ATOM 0 HG13 ILE A 16 19.296 15.797 -7.030 1.00 63.02 H new ATOM 0 HG21 ILE A 16 18.500 16.298 -3.704 1.00 14.21 H new ATOM 0 HG22 ILE A 16 17.945 17.963 -3.998 1.00 14.21 H new ATOM 0 HG23 ILE A 16 17.345 16.633 -5.017 1.00 14.21 H new ATOM 0 HD11 ILE A 16 21.518 14.823 -6.717 1.00 21.51 H new ATOM 0 HD12 ILE A 16 21.633 16.587 -6.918 1.00 21.51 H new ATOM 0 HD13 ILE A 16 21.789 15.864 -5.300 1.00 21.51 H new ATOM 291 N VAL A 17 20.064 17.507 -8.560 1.00 41.21 N ATOM 292 CA VAL A 17 21.089 17.509 -9.597 1.00 72.34 C ATOM 293 C VAL A 17 20.764 18.522 -10.689 1.00 60.12 C ATOM 294 O VAL A 17 21.662 19.061 -11.335 1.00 54.32 O ATOM 295 CB VAL A 17 21.244 16.115 -10.235 1.00 52.31 C ATOM 296 CG1 VAL A 17 19.976 15.724 -10.979 1.00 11.04 C ATOM 297 CG2 VAL A 17 22.447 16.086 -11.165 1.00 4.31 C ATOM 0 H VAL A 17 19.329 16.812 -8.694 1.00 41.21 H new ATOM 0 HA VAL A 17 22.026 17.787 -9.115 1.00 72.34 H new ATOM 0 HB VAL A 17 21.410 15.387 -9.440 1.00 52.31 H new ATOM 0 HG11 VAL A 17 20.104 14.737 -11.423 1.00 11.04 H new ATOM 0 HG12 VAL A 17 19.138 15.703 -10.283 1.00 11.04 H new ATOM 0 HG13 VAL A 17 19.776 16.452 -11.765 1.00 11.04 H new ATOM 0 HG21 VAL A 17 22.541 15.094 -11.607 1.00 4.31 H new ATOM 0 HG22 VAL A 17 22.313 16.824 -11.956 1.00 4.31 H new ATOM 0 HG23 VAL A 17 23.349 16.319 -10.600 1.00 4.31 H new ATOM 307 N GLU A 18 19.474 18.776 -10.889 1.00 24.22 N ATOM 308 CA GLU A 18 19.032 19.725 -11.904 1.00 35.35 C ATOM 309 C GLU A 18 19.300 21.160 -11.460 1.00 42.04 C ATOM 310 O GLU A 18 19.479 22.055 -12.287 1.00 62.24 O ATOM 311 CB GLU A 18 17.540 19.539 -12.191 1.00 63.22 C ATOM 312 CG GLU A 18 17.245 19.104 -13.617 1.00 30.22 C ATOM 313 CD GLU A 18 16.376 17.863 -13.680 1.00 23.41 C ATOM 314 OE1 GLU A 18 15.180 17.958 -13.333 1.00 41.14 O ATOM 315 OE2 GLU A 18 16.892 16.796 -14.075 1.00 51.32 O ATOM 0 H GLU A 18 18.718 18.338 -10.362 1.00 24.22 H new ATOM 0 HA GLU A 18 19.598 19.533 -12.816 1.00 35.35 H new ATOM 0 HB2 GLU A 18 17.136 18.797 -11.503 1.00 63.22 H new ATOM 0 HB3 GLU A 18 17.020 20.476 -11.991 1.00 63.22 H new ATOM 0 HG2 GLU A 18 16.749 19.918 -14.146 1.00 30.22 H new ATOM 0 HG3 GLU A 18 18.184 18.912 -14.136 1.00 30.22 H new ATOM 322 N THR A 19 19.326 21.373 -10.148 1.00 44.03 N ATOM 323 CA THR A 19 19.571 22.698 -9.594 1.00 1.50 C ATOM 324 C THR A 19 20.905 22.749 -8.858 1.00 31.14 C ATOM 325 O THR A 19 21.439 23.826 -8.592 1.00 31.24 O ATOM 326 CB THR A 19 18.448 23.119 -8.628 1.00 11.35 C ATOM 327 OG1 THR A 19 18.364 22.191 -7.540 1.00 52.23 O ATOM 328 CG2 THR A 19 17.110 23.186 -9.349 1.00 21.23 C ATOM 0 H THR A 19 19.180 20.644 -9.449 1.00 44.03 H new ATOM 0 HA THR A 19 19.597 23.392 -10.434 1.00 1.50 H new ATOM 0 HB THR A 19 18.684 24.111 -8.242 1.00 11.35 H new ATOM 0 HG1 THR A 19 17.423 22.010 -7.337 1.00 52.23 H new ATOM 0 HG21 THR A 19 16.333 23.485 -8.646 1.00 21.23 H new ATOM 0 HG22 THR A 19 17.168 23.915 -10.157 1.00 21.23 H new ATOM 0 HG23 THR A 19 16.869 22.206 -9.761 1.00 21.23 H new ATOM 336 N LYS A 20 21.440 21.577 -8.531 1.00 15.22 N ATOM 337 CA LYS A 20 22.713 21.487 -7.826 1.00 70.44 C ATOM 338 C LYS A 20 22.670 22.273 -6.520 1.00 54.44 C ATOM 339 O LYS A 20 23.698 22.738 -6.029 1.00 42.40 O ATOM 340 CB LYS A 20 23.847 22.009 -8.711 1.00 60.04 C ATOM 341 CG LYS A 20 23.832 21.439 -10.119 1.00 60.31 C ATOM 342 CD LYS A 20 24.141 19.951 -10.121 1.00 70.13 C ATOM 343 CE LYS A 20 25.549 19.673 -9.616 1.00 54.24 C ATOM 344 NZ LYS A 20 26.148 18.479 -10.273 1.00 72.42 N ATOM 0 H LYS A 20 21.011 20.676 -8.743 1.00 15.22 H new ATOM 0 HA LYS A 20 22.896 20.438 -7.591 1.00 70.44 H new ATOM 0 HB2 LYS A 20 23.782 23.096 -8.767 1.00 60.04 H new ATOM 0 HB3 LYS A 20 24.802 21.771 -8.242 1.00 60.04 H new ATOM 0 HG2 LYS A 20 22.855 21.609 -10.571 1.00 60.31 H new ATOM 0 HG3 LYS A 20 24.563 21.964 -10.733 1.00 60.31 H new ATOM 0 HD2 LYS A 20 23.419 19.428 -9.495 1.00 70.13 H new ATOM 0 HD3 LYS A 20 24.031 19.557 -11.131 1.00 70.13 H new ATOM 0 HE2 LYS A 20 26.179 20.543 -9.800 1.00 54.24 H new ATOM 0 HE3 LYS A 20 25.524 19.520 -8.537 1.00 54.24 H new ATOM 0 HZ1 LYS A 20 27.107 18.323 -9.902 1.00 72.42 H new ATOM 0 HZ2 LYS A 20 25.561 17.643 -10.077 1.00 72.42 H new ATOM 0 HZ3 LYS A 20 26.195 18.635 -11.300 1.00 72.42 H new ATOM 358 N LYS A 21 21.473 22.418 -5.962 1.00 32.25 N ATOM 359 CA LYS A 21 21.295 23.146 -4.711 1.00 33.43 C ATOM 360 C LYS A 21 21.412 22.207 -3.514 1.00 0.32 C ATOM 361 O LYS A 21 21.699 21.020 -3.668 1.00 30.40 O ATOM 362 CB LYS A 21 19.933 23.845 -4.693 1.00 24.42 C ATOM 363 CG LYS A 21 20.018 25.346 -4.903 1.00 50.43 C ATOM 364 CD LYS A 21 19.378 25.762 -6.217 1.00 14.30 C ATOM 365 CE LYS A 21 17.878 25.511 -6.210 1.00 74.21 C ATOM 366 NZ LYS A 21 17.229 25.990 -7.462 1.00 41.10 N ATOM 0 H LYS A 21 20.611 22.041 -6.356 1.00 32.25 H new ATOM 0 HA LYS A 21 22.083 23.896 -4.641 1.00 33.43 H new ATOM 0 HB2 LYS A 21 19.302 23.413 -5.470 1.00 24.42 H new ATOM 0 HB3 LYS A 21 19.445 23.647 -3.739 1.00 24.42 H new ATOM 0 HG2 LYS A 21 19.523 25.858 -4.078 1.00 50.43 H new ATOM 0 HG3 LYS A 21 21.062 25.657 -4.891 1.00 50.43 H new ATOM 0 HD2 LYS A 21 19.570 26.820 -6.398 1.00 14.30 H new ATOM 0 HD3 LYS A 21 19.837 25.210 -7.037 1.00 14.30 H new ATOM 0 HE2 LYS A 21 17.689 24.444 -6.088 1.00 74.21 H new ATOM 0 HE3 LYS A 21 17.430 26.014 -5.353 1.00 74.21 H new ATOM 0 HZ1 LYS A 21 16.437 25.361 -7.705 1.00 41.10 H new ATOM 0 HZ2 LYS A 21 16.872 26.957 -7.320 1.00 41.10 H new ATOM 0 HZ3 LYS A 21 17.924 25.987 -8.236 1.00 41.10 H new ATOM 380 N THR A 22 21.187 22.747 -2.320 1.00 11.21 N ATOM 381 CA THR A 22 21.267 21.958 -1.097 1.00 51.40 C ATOM 382 C THR A 22 19.896 21.425 -0.696 1.00 2.41 C ATOM 383 O THR A 22 18.866 21.967 -1.098 1.00 63.32 O ATOM 384 CB THR A 22 21.845 22.785 0.068 1.00 72.55 C ATOM 385 OG1 THR A 22 20.864 23.712 0.545 1.00 53.05 O ATOM 386 CG2 THR A 22 23.092 23.538 -0.370 1.00 72.00 C ATOM 0 H THR A 22 20.948 23.728 -2.174 1.00 11.21 H new ATOM 0 HA THR A 22 21.933 21.120 -1.304 1.00 51.40 H new ATOM 0 HB THR A 22 22.117 22.100 0.871 1.00 72.55 H new ATOM 0 HG1 THR A 22 21.239 24.232 1.286 1.00 53.05 H new ATOM 0 HG21 THR A 22 23.482 24.115 0.469 1.00 72.00 H new ATOM 0 HG22 THR A 22 23.848 22.827 -0.704 1.00 72.00 H new ATOM 0 HG23 THR A 22 22.841 24.213 -1.189 1.00 72.00 H new ATOM 394 N VAL A 23 19.890 20.361 0.100 1.00 21.13 N ATOM 395 CA VAL A 23 18.645 19.756 0.558 1.00 61.42 C ATOM 396 C VAL A 23 17.726 20.797 1.187 1.00 43.03 C ATOM 397 O VAL A 23 16.503 20.660 1.155 1.00 2.34 O ATOM 398 CB VAL A 23 18.909 18.635 1.581 1.00 73.21 C ATOM 399 CG1 VAL A 23 19.402 17.378 0.881 1.00 74.41 C ATOM 400 CG2 VAL A 23 19.908 19.097 2.631 1.00 72.20 C ATOM 0 H VAL A 23 20.733 19.900 0.441 1.00 21.13 H new ATOM 0 HA VAL A 23 18.159 19.330 -0.320 1.00 61.42 H new ATOM 0 HB VAL A 23 17.971 18.398 2.084 1.00 73.21 H new ATOM 0 HG11 VAL A 23 19.583 16.597 1.620 1.00 74.41 H new ATOM 0 HG12 VAL A 23 18.648 17.038 0.171 1.00 74.41 H new ATOM 0 HG13 VAL A 23 20.328 17.597 0.350 1.00 74.41 H new ATOM 0 HG21 VAL A 23 20.083 18.293 3.346 1.00 72.20 H new ATOM 0 HG22 VAL A 23 20.848 19.363 2.147 1.00 72.20 H new ATOM 0 HG23 VAL A 23 19.510 19.967 3.154 1.00 72.20 H new ATOM 410 N ARG A 24 18.324 21.838 1.757 1.00 51.10 N ATOM 411 CA ARG A 24 17.559 22.903 2.394 1.00 2.32 C ATOM 412 C ARG A 24 16.769 23.699 1.359 1.00 3.34 C ATOM 413 O ARG A 24 15.654 24.148 1.625 1.00 71.22 O ATOM 414 CB ARG A 24 18.492 23.837 3.168 1.00 33.22 C ATOM 415 CG ARG A 24 17.937 24.273 4.514 1.00 12.22 C ATOM 416 CD ARG A 24 17.799 25.785 4.596 1.00 0.52 C ATOM 417 NE ARG A 24 17.267 26.218 5.886 1.00 72.53 N ATOM 418 CZ ARG A 24 16.728 27.413 6.095 1.00 52.41 C ATOM 419 NH1 ARG A 24 16.649 28.291 5.104 1.00 5.44 N ATOM 420 NH2 ARG A 24 16.265 27.733 7.297 1.00 61.02 N ATOM 0 H ARG A 24 19.335 21.967 1.791 1.00 51.10 H new ATOM 0 HA ARG A 24 16.855 22.445 3.089 1.00 2.32 H new ATOM 0 HB2 ARG A 24 19.447 23.336 3.323 1.00 33.22 H new ATOM 0 HB3 ARG A 24 18.691 24.721 2.563 1.00 33.22 H new ATOM 0 HG2 ARG A 24 16.964 23.808 4.675 1.00 12.22 H new ATOM 0 HG3 ARG A 24 18.594 23.923 5.310 1.00 12.22 H new ATOM 0 HD2 ARG A 24 18.772 26.247 4.432 1.00 0.52 H new ATOM 0 HD3 ARG A 24 17.143 26.133 3.798 1.00 0.52 H new ATOM 0 HE ARG A 24 17.312 25.566 6.669 1.00 72.53 H new ATOM 0 HH11 ARG A 24 17.003 28.049 4.179 1.00 5.44 H new ATOM 0 HH12 ARG A 24 16.234 29.208 5.267 1.00 5.44 H new ATOM 0 HH21 ARG A 24 16.323 27.060 8.062 1.00 61.02 H new ATOM 0 HH22 ARG A 24 15.851 28.652 7.456 1.00 61.02 H new ATOM 434 N VAL A 25 17.356 23.871 0.179 1.00 52.50 N ATOM 435 CA VAL A 25 16.707 24.613 -0.896 1.00 62.20 C ATOM 436 C VAL A 25 15.795 23.707 -1.715 1.00 52.14 C ATOM 437 O VAL A 25 14.808 24.163 -2.294 1.00 44.15 O ATOM 438 CB VAL A 25 17.742 25.263 -1.833 1.00 2.51 C ATOM 439 CG1 VAL A 25 17.059 26.207 -2.811 1.00 13.35 C ATOM 440 CG2 VAL A 25 18.804 25.995 -1.026 1.00 43.45 C ATOM 0 H VAL A 25 18.279 23.507 -0.057 1.00 52.50 H new ATOM 0 HA VAL A 25 16.111 25.396 -0.426 1.00 62.20 H new ATOM 0 HB VAL A 25 18.232 24.476 -2.407 1.00 2.51 H new ATOM 0 HG11 VAL A 25 17.806 26.657 -3.465 1.00 13.35 H new ATOM 0 HG12 VAL A 25 16.339 25.651 -3.411 1.00 13.35 H new ATOM 0 HG13 VAL A 25 16.541 26.991 -2.259 1.00 13.35 H new ATOM 0 HG21 VAL A 25 19.527 26.449 -1.703 1.00 43.45 H new ATOM 0 HG22 VAL A 25 18.333 26.773 -0.425 1.00 43.45 H new ATOM 0 HG23 VAL A 25 19.314 25.289 -0.371 1.00 43.45 H new ATOM 450 N ILE A 26 16.130 22.422 -1.759 1.00 44.24 N ATOM 451 CA ILE A 26 15.340 21.452 -2.507 1.00 21.13 C ATOM 452 C ILE A 26 14.119 21.006 -1.709 1.00 41.33 C ATOM 453 O ILE A 26 13.078 20.680 -2.279 1.00 2.30 O ATOM 454 CB ILE A 26 16.176 20.213 -2.880 1.00 14.11 C ATOM 455 CG1 ILE A 26 17.372 20.619 -3.743 1.00 71.12 C ATOM 456 CG2 ILE A 26 15.313 19.192 -3.607 1.00 22.15 C ATOM 457 CD1 ILE A 26 18.687 20.047 -3.261 1.00 13.43 C ATOM 0 H ILE A 26 16.943 22.028 -1.285 1.00 44.24 H new ATOM 0 HA ILE A 26 15.013 21.948 -3.421 1.00 21.13 H new ATOM 0 HB ILE A 26 16.552 19.756 -1.964 1.00 14.11 H new ATOM 0 HG12 ILE A 26 17.197 20.293 -4.768 1.00 71.12 H new ATOM 0 HG13 ILE A 26 17.443 21.706 -3.762 1.00 71.12 H new ATOM 0 HG21 ILE A 26 15.917 18.322 -3.864 1.00 22.15 H new ATOM 0 HG22 ILE A 26 14.491 18.884 -2.961 1.00 22.15 H new ATOM 0 HG23 ILE A 26 14.912 19.637 -4.518 1.00 22.15 H new ATOM 0 HD11 ILE A 26 19.490 20.376 -3.920 1.00 13.43 H new ATOM 0 HD12 ILE A 26 18.885 20.394 -2.247 1.00 13.43 H new ATOM 0 HD13 ILE A 26 18.635 18.958 -3.268 1.00 13.43 H new ATOM 469 N ALA A 27 14.254 20.997 -0.387 1.00 71.32 N ATOM 470 CA ALA A 27 13.161 20.595 0.489 1.00 13.13 C ATOM 471 C ALA A 27 12.072 21.662 0.533 1.00 1.13 C ATOM 472 O ALA A 27 10.893 21.370 0.334 1.00 31.41 O ATOM 473 CB ALA A 27 13.684 20.314 1.890 1.00 35.42 C ATOM 0 H ALA A 27 15.109 21.263 0.101 1.00 71.32 H new ATOM 0 HA ALA A 27 12.722 19.682 0.087 1.00 13.13 H new ATOM 0 HB1 ALA A 27 12.857 20.015 2.534 1.00 35.42 H new ATOM 0 HB2 ALA A 27 14.421 19.512 1.849 1.00 35.42 H new ATOM 0 HB3 ALA A 27 14.149 21.214 2.292 1.00 35.42 H new ATOM 479 N LYS A 28 12.475 22.901 0.796 1.00 33.21 N ATOM 480 CA LYS A 28 11.534 24.013 0.866 1.00 21.22 C ATOM 481 C LYS A 28 10.656 24.062 -0.380 1.00 32.21 C ATOM 482 O LYS A 28 9.505 24.495 -0.322 1.00 64.40 O ATOM 483 CB LYS A 28 12.287 25.335 1.024 1.00 4.55 C ATOM 484 CG LYS A 28 13.349 25.562 -0.038 1.00 72.11 C ATOM 485 CD LYS A 28 12.766 26.222 -1.276 1.00 42.24 C ATOM 486 CE LYS A 28 13.180 27.683 -1.376 1.00 75.42 C ATOM 487 NZ LYS A 28 12.306 28.444 -2.311 1.00 75.22 N ATOM 0 H LYS A 28 13.447 23.160 0.964 1.00 33.21 H new ATOM 0 HA LYS A 28 10.893 23.860 1.735 1.00 21.22 H new ATOM 0 HB2 LYS A 28 11.572 26.157 0.992 1.00 4.55 H new ATOM 0 HB3 LYS A 28 12.757 25.360 2.007 1.00 4.55 H new ATOM 0 HG2 LYS A 28 14.144 26.187 0.369 1.00 72.11 H new ATOM 0 HG3 LYS A 28 13.801 24.609 -0.311 1.00 72.11 H new ATOM 0 HD2 LYS A 28 13.098 25.687 -2.166 1.00 42.24 H new ATOM 0 HD3 LYS A 28 11.679 26.152 -1.249 1.00 42.24 H new ATOM 0 HE2 LYS A 28 13.140 28.140 -0.387 1.00 75.42 H new ATOM 0 HE3 LYS A 28 14.214 27.745 -1.714 1.00 75.42 H new ATOM 0 HZ1 LYS A 28 12.620 29.435 -2.352 1.00 75.22 H new ATOM 0 HZ2 LYS A 28 12.364 28.023 -3.260 1.00 75.22 H new ATOM 0 HZ3 LYS A 28 11.322 28.406 -1.975 1.00 75.22 H new ATOM 501 N GLU A 29 11.206 23.614 -1.504 1.00 52.03 N ATOM 502 CA GLU A 29 10.471 23.607 -2.764 1.00 34.05 C ATOM 503 C GLU A 29 9.323 22.602 -2.718 1.00 12.53 C ATOM 504 O GLU A 29 8.244 22.851 -3.257 1.00 30.33 O ATOM 505 CB GLU A 29 11.409 23.274 -3.926 1.00 34.55 C ATOM 506 CG GLU A 29 12.300 24.432 -4.340 1.00 54.34 C ATOM 507 CD GLU A 29 12.187 24.755 -5.818 1.00 22.32 C ATOM 508 OE1 GLU A 29 11.904 23.829 -6.607 1.00 20.35 O ATOM 509 OE2 GLU A 29 12.383 25.932 -6.185 1.00 74.13 O ATOM 0 H GLU A 29 12.157 23.251 -1.568 1.00 52.03 H new ATOM 0 HA GLU A 29 10.054 24.602 -2.918 1.00 34.05 H new ATOM 0 HB2 GLU A 29 12.035 22.427 -3.645 1.00 34.55 H new ATOM 0 HB3 GLU A 29 10.814 22.960 -4.784 1.00 34.55 H new ATOM 0 HG2 GLU A 29 12.036 25.315 -3.758 1.00 54.34 H new ATOM 0 HG3 GLU A 29 13.336 24.191 -4.103 1.00 54.34 H new ATOM 516 N PHE A 30 9.564 21.467 -2.071 1.00 34.12 N ATOM 517 CA PHE A 30 8.552 20.423 -1.956 1.00 15.35 C ATOM 518 C PHE A 30 7.594 20.720 -0.805 1.00 75.54 C ATOM 519 O PHE A 30 6.457 20.249 -0.793 1.00 53.52 O ATOM 520 CB PHE A 30 9.215 19.061 -1.744 1.00 1.15 C ATOM 521 CG PHE A 30 9.756 18.455 -3.007 1.00 24.13 C ATOM 522 CD1 PHE A 30 10.758 19.091 -3.722 1.00 23.30 C ATOM 523 CD2 PHE A 30 9.263 17.249 -3.479 1.00 12.40 C ATOM 524 CE1 PHE A 30 11.259 18.535 -4.885 1.00 11.44 C ATOM 525 CE2 PHE A 30 9.760 16.689 -4.641 1.00 12.14 C ATOM 526 CZ PHE A 30 10.758 17.333 -5.345 1.00 1.41 C ATOM 0 H PHE A 30 10.451 21.246 -1.618 1.00 34.12 H new ATOM 0 HA PHE A 30 7.982 20.400 -2.885 1.00 15.35 H new ATOM 0 HB2 PHE A 30 10.027 19.169 -1.025 1.00 1.15 H new ATOM 0 HB3 PHE A 30 8.489 18.377 -1.304 1.00 1.15 H new ATOM 0 HD1 PHE A 30 11.152 20.032 -3.367 1.00 23.30 H new ATOM 0 HD2 PHE A 30 8.482 16.741 -2.933 1.00 12.40 H new ATOM 0 HE1 PHE A 30 12.041 19.040 -5.433 1.00 11.44 H new ATOM 0 HE2 PHE A 30 9.368 15.748 -4.998 1.00 12.14 H new ATOM 0 HZ PHE A 30 11.146 16.898 -6.254 1.00 1.41 H new ATOM 536 N GLY A 31 8.063 21.503 0.161 1.00 33.22 N ATOM 537 CA GLY A 31 7.236 21.848 1.303 1.00 2.20 C ATOM 538 C GLY A 31 7.449 20.913 2.477 1.00 72.23 C ATOM 539 O GLY A 31 6.504 20.576 3.191 1.00 42.40 O ATOM 0 H GLY A 31 9.000 21.905 0.174 1.00 33.22 H new ATOM 0 HA2 GLY A 31 7.456 22.870 1.612 1.00 2.20 H new ATOM 0 HA3 GLY A 31 6.187 21.823 1.009 1.00 2.20 H new ATOM 543 N VAL A 32 8.693 20.490 2.676 1.00 30.54 N ATOM 544 CA VAL A 32 9.027 19.587 3.771 1.00 32.44 C ATOM 545 C VAL A 32 10.332 19.997 4.444 1.00 41.03 C ATOM 546 O VAL A 32 11.053 20.863 3.947 1.00 35.12 O ATOM 547 CB VAL A 32 9.150 18.132 3.281 1.00 30.43 C ATOM 548 CG1 VAL A 32 7.777 17.555 2.970 1.00 44.05 C ATOM 549 CG2 VAL A 32 10.059 18.055 2.064 1.00 53.02 C ATOM 0 H VAL A 32 9.486 20.758 2.093 1.00 30.54 H new ATOM 0 HA VAL A 32 8.213 19.652 4.493 1.00 32.44 H new ATOM 0 HB VAL A 32 9.596 17.535 4.077 1.00 30.43 H new ATOM 0 HG11 VAL A 32 7.884 16.527 2.625 1.00 44.05 H new ATOM 0 HG12 VAL A 32 7.162 17.574 3.870 1.00 44.05 H new ATOM 0 HG13 VAL A 32 7.300 18.151 2.192 1.00 44.05 H new ATOM 0 HG21 VAL A 32 10.135 17.020 1.731 1.00 53.02 H new ATOM 0 HG22 VAL A 32 9.645 18.665 1.261 1.00 53.02 H new ATOM 0 HG23 VAL A 32 11.050 18.425 2.326 1.00 53.02 H new ATOM 559 N SER A 33 10.631 19.369 5.576 1.00 21.04 N ATOM 560 CA SER A 33 11.849 19.671 6.319 1.00 32.05 C ATOM 561 C SER A 33 13.002 18.788 5.854 1.00 64.31 C ATOM 562 O SER A 33 12.793 17.672 5.378 1.00 30.42 O ATOM 563 CB SER A 33 11.617 19.478 7.819 1.00 2.44 C ATOM 564 OG SER A 33 11.475 18.106 8.141 1.00 33.33 O ATOM 0 H SER A 33 10.047 18.648 5.999 1.00 21.04 H new ATOM 0 HA SER A 33 12.112 20.712 6.130 1.00 32.05 H new ATOM 0 HB2 SER A 33 12.453 19.901 8.377 1.00 2.44 H new ATOM 0 HB3 SER A 33 10.723 20.021 8.125 1.00 2.44 H new ATOM 0 HG SER A 33 11.329 18.010 9.105 1.00 33.33 H new ATOM 570 N LYS A 34 14.222 19.296 5.995 1.00 61.35 N ATOM 571 CA LYS A 34 15.411 18.555 5.591 1.00 62.15 C ATOM 572 C LYS A 34 15.419 17.160 6.208 1.00 3.20 C ATOM 573 O LYS A 34 15.840 16.193 5.574 1.00 63.21 O ATOM 574 CB LYS A 34 16.675 19.314 6.003 1.00 74.05 C ATOM 575 CG LYS A 34 16.732 20.735 5.469 1.00 72.23 C ATOM 576 CD LYS A 34 16.345 21.747 6.534 1.00 73.20 C ATOM 577 CE LYS A 34 15.171 22.605 6.087 1.00 32.24 C ATOM 578 NZ LYS A 34 15.272 23.997 6.607 1.00 33.41 N ATOM 0 H LYS A 34 14.413 20.218 6.386 1.00 61.35 H new ATOM 0 HA LYS A 34 15.393 18.453 4.506 1.00 62.15 H new ATOM 0 HB2 LYS A 34 16.734 19.341 7.091 1.00 74.05 H new ATOM 0 HB3 LYS A 34 17.549 18.767 5.650 1.00 74.05 H new ATOM 0 HG2 LYS A 34 17.739 20.950 5.111 1.00 72.23 H new ATOM 0 HG3 LYS A 34 16.062 20.831 4.614 1.00 72.23 H new ATOM 0 HD2 LYS A 34 16.086 21.226 7.456 1.00 73.20 H new ATOM 0 HD3 LYS A 34 17.199 22.386 6.758 1.00 73.20 H new ATOM 0 HE2 LYS A 34 15.130 22.626 4.998 1.00 32.24 H new ATOM 0 HE3 LYS A 34 14.240 22.155 6.432 1.00 32.24 H new ATOM 0 HZ1 LYS A 34 14.435 24.213 7.185 1.00 33.41 H new ATOM 0 HZ2 LYS A 34 16.129 24.089 7.190 1.00 33.41 H new ATOM 0 HZ3 LYS A 34 15.323 24.663 5.810 1.00 33.41 H new ATOM 592 N SER A 35 14.950 17.064 7.448 1.00 42.10 N ATOM 593 CA SER A 35 14.906 15.788 8.152 1.00 73.23 C ATOM 594 C SER A 35 13.975 14.809 7.443 1.00 61.43 C ATOM 595 O SER A 35 14.205 13.599 7.449 1.00 20.30 O ATOM 596 CB SER A 35 14.444 15.993 9.596 1.00 50.33 C ATOM 597 OG SER A 35 14.331 14.755 10.276 1.00 5.42 O ATOM 0 H SER A 35 14.595 17.855 7.986 1.00 42.10 H new ATOM 0 HA SER A 35 15.912 15.369 8.156 1.00 73.23 H new ATOM 0 HB2 SER A 35 15.152 16.636 10.120 1.00 50.33 H new ATOM 0 HB3 SER A 35 13.482 16.505 9.604 1.00 50.33 H new ATOM 0 HG SER A 35 14.036 14.913 11.197 1.00 5.42 H new ATOM 603 N THR A 36 12.921 15.341 6.831 1.00 64.42 N ATOM 604 CA THR A 36 11.954 14.516 6.118 1.00 23.41 C ATOM 605 C THR A 36 12.482 14.111 4.746 1.00 21.24 C ATOM 606 O THR A 36 12.244 12.996 4.283 1.00 74.44 O ATOM 607 CB THR A 36 10.611 15.249 5.943 1.00 42.02 C ATOM 608 OG1 THR A 36 10.074 15.600 7.223 1.00 71.31 O ATOM 609 CG2 THR A 36 9.615 14.381 5.189 1.00 32.25 C ATOM 0 H THR A 36 12.716 16.340 6.815 1.00 64.42 H new ATOM 0 HA THR A 36 11.796 13.622 6.721 1.00 23.41 H new ATOM 0 HB THR A 36 10.789 16.155 5.364 1.00 42.02 H new ATOM 0 HG1 THR A 36 10.513 16.413 7.550 1.00 71.31 H new ATOM 0 HG21 THR A 36 8.674 14.920 5.078 1.00 32.25 H new ATOM 0 HG22 THR A 36 10.015 14.141 4.204 1.00 32.25 H new ATOM 0 HG23 THR A 36 9.442 13.459 5.745 1.00 32.25 H new ATOM 617 N VAL A 37 13.201 15.024 4.101 1.00 24.41 N ATOM 618 CA VAL A 37 13.765 14.761 2.782 1.00 30.44 C ATOM 619 C VAL A 37 14.931 13.782 2.868 1.00 11.23 C ATOM 620 O VAL A 37 14.895 12.703 2.277 1.00 73.24 O ATOM 621 CB VAL A 37 14.247 16.059 2.109 1.00 3.10 C ATOM 622 CG1 VAL A 37 14.886 15.757 0.762 1.00 71.10 C ATOM 623 CG2 VAL A 37 13.094 17.039 1.954 1.00 73.53 C ATOM 0 H VAL A 37 13.407 15.952 4.470 1.00 24.41 H new ATOM 0 HA VAL A 37 12.970 14.322 2.179 1.00 30.44 H new ATOM 0 HB VAL A 37 15.001 16.520 2.747 1.00 3.10 H new ATOM 0 HG11 VAL A 37 15.220 16.687 0.301 1.00 71.10 H new ATOM 0 HG12 VAL A 37 15.740 15.095 0.905 1.00 71.10 H new ATOM 0 HG13 VAL A 37 14.156 15.273 0.113 1.00 71.10 H new ATOM 0 HG21 VAL A 37 13.453 17.951 1.477 1.00 73.53 H new ATOM 0 HG22 VAL A 37 12.315 16.590 1.338 1.00 73.53 H new ATOM 0 HG23 VAL A 37 12.687 17.280 2.936 1.00 73.53 H new ATOM 633 N HIS A 38 15.965 14.166 3.610 1.00 43.34 N ATOM 634 CA HIS A 38 17.143 13.322 3.774 1.00 23.03 C ATOM 635 C HIS A 38 16.748 11.922 4.235 1.00 43.10 C ATOM 636 O HIS A 38 17.451 10.947 3.967 1.00 10.30 O ATOM 637 CB HIS A 38 18.109 13.949 4.780 1.00 65.21 C ATOM 638 CG HIS A 38 19.242 14.690 4.140 1.00 44.51 C ATOM 639 ND1 HIS A 38 19.789 15.838 4.675 1.00 20.55 N ATOM 640 CD2 HIS A 38 19.933 14.442 3.003 1.00 62.32 C ATOM 641 CE1 HIS A 38 20.766 16.263 3.895 1.00 51.24 C ATOM 642 NE2 HIS A 38 20.874 15.433 2.873 1.00 41.43 N ATOM 0 H HIS A 38 16.011 15.056 4.107 1.00 43.34 H new ATOM 0 HA HIS A 38 17.639 13.241 2.807 1.00 23.03 H new ATOM 0 HB2 HIS A 38 17.556 14.633 5.424 1.00 65.21 H new ATOM 0 HB3 HIS A 38 18.514 13.165 5.420 1.00 65.21 H new ATOM 0 HD1 HIS A 38 19.486 16.288 5.539 1.00 20.55 H new ATOM 0 HD2 HIS A 38 19.774 13.617 2.324 1.00 62.32 H new ATOM 0 HE1 HIS A 38 21.373 17.140 4.064 1.00 51.24 H new ATOM 650 N LYS A 39 15.620 11.830 4.930 1.00 32.22 N ATOM 651 CA LYS A 39 15.130 10.550 5.428 1.00 31.02 C ATOM 652 C LYS A 39 14.911 9.568 4.282 1.00 63.31 C ATOM 653 O LYS A 39 15.412 8.443 4.311 1.00 11.34 O ATOM 654 CB LYS A 39 13.824 10.746 6.202 1.00 41.43 C ATOM 655 CG LYS A 39 13.166 9.444 6.624 1.00 11.55 C ATOM 656 CD LYS A 39 11.955 9.126 5.763 1.00 3.21 C ATOM 657 CE LYS A 39 10.663 9.220 6.560 1.00 5.55 C ATOM 658 NZ LYS A 39 10.512 8.081 7.508 1.00 51.44 N ATOM 0 H LYS A 39 15.027 12.627 5.162 1.00 32.22 H new ATOM 0 HA LYS A 39 15.884 10.137 6.098 1.00 31.02 H new ATOM 0 HB2 LYS A 39 14.024 11.347 7.089 1.00 41.43 H new ATOM 0 HB3 LYS A 39 13.127 11.312 5.584 1.00 41.43 H new ATOM 0 HG2 LYS A 39 13.888 8.631 6.552 1.00 11.55 H new ATOM 0 HG3 LYS A 39 12.863 9.510 7.669 1.00 11.55 H new ATOM 0 HD2 LYS A 39 11.915 9.817 4.921 1.00 3.21 H new ATOM 0 HD3 LYS A 39 12.056 8.123 5.348 1.00 3.21 H new ATOM 0 HE2 LYS A 39 10.646 10.158 7.114 1.00 5.55 H new ATOM 0 HE3 LYS A 39 9.815 9.238 5.876 1.00 5.55 H new ATOM 0 HZ1 LYS A 39 9.619 8.182 8.032 1.00 51.44 H new ATOM 0 HZ2 LYS A 39 10.503 7.187 6.977 1.00 51.44 H new ATOM 0 HZ3 LYS A 39 11.308 8.079 8.177 1.00 51.44 H new ATOM 672 N ASP A 40 14.162 10.000 3.273 1.00 24.24 N ATOM 673 CA ASP A 40 13.880 9.159 2.116 1.00 50.13 C ATOM 674 C ASP A 40 15.020 9.226 1.105 1.00 64.43 C ATOM 675 O ASP A 40 15.338 8.235 0.445 1.00 51.11 O ATOM 676 CB ASP A 40 12.570 9.589 1.454 1.00 34.22 C ATOM 677 CG ASP A 40 11.377 8.811 1.974 1.00 75.13 C ATOM 678 OD1 ASP A 40 11.536 7.609 2.270 1.00 22.41 O ATOM 679 OD2 ASP A 40 10.283 9.404 2.083 1.00 11.31 O ATOM 0 H ASP A 40 13.739 10.928 3.233 1.00 24.24 H new ATOM 0 HA ASP A 40 13.784 8.129 2.461 1.00 50.13 H new ATOM 0 HB2 ASP A 40 12.410 10.653 1.628 1.00 34.22 H new ATOM 0 HB3 ASP A 40 12.648 9.451 0.376 1.00 34.22 H new ATOM 684 N LEU A 41 15.632 10.399 0.987 1.00 22.12 N ATOM 685 CA LEU A 41 16.737 10.596 0.055 1.00 23.54 C ATOM 686 C LEU A 41 17.892 9.650 0.372 1.00 13.34 C ATOM 687 O LEU A 41 18.756 9.403 -0.470 1.00 11.15 O ATOM 688 CB LEU A 41 17.222 12.046 0.107 1.00 74.43 C ATOM 689 CG LEU A 41 16.495 13.029 -0.811 1.00 72.14 C ATOM 690 CD1 LEU A 41 17.172 13.090 -2.171 1.00 44.15 C ATOM 691 CD2 LEU A 41 15.032 12.638 -0.960 1.00 15.34 C ATOM 0 H LEU A 41 15.382 11.229 1.525 1.00 22.12 H new ATOM 0 HA LEU A 41 16.376 10.376 -0.950 1.00 23.54 H new ATOM 0 HB2 LEU A 41 17.131 12.402 1.133 1.00 74.43 H new ATOM 0 HB3 LEU A 41 18.283 12.063 -0.143 1.00 74.43 H new ATOM 0 HG LEU A 41 16.542 14.020 -0.359 1.00 72.14 H new ATOM 0 HD11 LEU A 41 16.641 13.795 -2.811 1.00 44.15 H new ATOM 0 HD12 LEU A 41 18.204 13.418 -2.049 1.00 44.15 H new ATOM 0 HD13 LEU A 41 17.157 12.101 -2.630 1.00 44.15 H new ATOM 0 HD21 LEU A 41 14.530 13.349 -1.617 1.00 15.34 H new ATOM 0 HD22 LEU A 41 14.964 11.638 -1.389 1.00 15.34 H new ATOM 0 HD23 LEU A 41 14.552 12.647 0.018 1.00 15.34 H new ATOM 703 N THR A 42 17.899 9.122 1.592 1.00 22.23 N ATOM 704 CA THR A 42 18.946 8.203 2.021 1.00 62.14 C ATOM 705 C THR A 42 18.373 6.827 2.341 1.00 1.21 C ATOM 706 O THR A 42 19.096 5.929 2.770 1.00 62.42 O ATOM 707 CB THR A 42 19.691 8.737 3.259 1.00 52.44 C ATOM 708 OG1 THR A 42 18.811 8.760 4.388 1.00 74.11 O ATOM 709 CG2 THR A 42 20.232 10.136 3.003 1.00 54.12 C ATOM 0 H THR A 42 17.191 9.315 2.301 1.00 22.23 H new ATOM 0 HA THR A 42 19.649 8.117 1.193 1.00 62.14 H new ATOM 0 HB THR A 42 20.530 8.072 3.466 1.00 52.44 H new ATOM 0 HG1 THR A 42 18.107 9.426 4.241 1.00 74.11 H new ATOM 0 HG21 THR A 42 20.754 10.492 3.891 1.00 54.12 H new ATOM 0 HG22 THR A 42 20.924 10.110 2.161 1.00 54.12 H new ATOM 0 HG23 THR A 42 19.406 10.809 2.773 1.00 54.12 H new ATOM 717 N GLU A 43 17.070 6.670 2.130 1.00 40.12 N ATOM 718 CA GLU A 43 16.401 5.402 2.397 1.00 51.31 C ATOM 719 C GLU A 43 15.729 4.865 1.136 1.00 3.43 C ATOM 720 O GLU A 43 16.206 3.908 0.526 1.00 51.30 O ATOM 721 CB GLU A 43 15.363 5.572 3.508 1.00 11.32 C ATOM 722 CG GLU A 43 15.969 5.665 4.898 1.00 1.33 C ATOM 723 CD GLU A 43 15.877 4.359 5.663 1.00 1.34 C ATOM 724 OE1 GLU A 43 16.450 3.354 5.193 1.00 14.15 O ATOM 725 OE2 GLU A 43 15.232 4.343 6.733 1.00 42.31 O ATOM 0 H GLU A 43 16.457 7.404 1.775 1.00 40.12 H new ATOM 0 HA GLU A 43 17.155 4.684 2.720 1.00 51.31 H new ATOM 0 HB2 GLU A 43 14.780 6.472 3.314 1.00 11.32 H new ATOM 0 HB3 GLU A 43 14.670 4.731 3.478 1.00 11.32 H new ATOM 0 HG2 GLU A 43 17.015 5.960 4.815 1.00 1.33 H new ATOM 0 HG3 GLU A 43 15.460 6.448 5.460 1.00 1.33 H new ATOM 732 N ARG A 44 14.620 5.488 0.753 1.00 13.30 N ATOM 733 CA ARG A 44 13.881 5.073 -0.433 1.00 70.42 C ATOM 734 C ARG A 44 14.652 5.421 -1.703 1.00 75.13 C ATOM 735 O ARG A 44 14.817 4.583 -2.591 1.00 51.44 O ATOM 736 CB ARG A 44 12.503 5.737 -0.461 1.00 44.32 C ATOM 737 CG ARG A 44 11.522 5.146 0.537 1.00 14.33 C ATOM 738 CD ARG A 44 11.133 3.725 0.162 1.00 23.20 C ATOM 739 NE ARG A 44 11.599 2.752 1.147 1.00 15.11 N ATOM 740 CZ ARG A 44 11.653 1.444 0.920 1.00 51.52 C ATOM 741 NH1 ARG A 44 11.273 0.956 -0.253 1.00 24.32 N ATOM 742 NH2 ARG A 44 12.088 0.623 1.866 1.00 22.25 N ATOM 0 H ARG A 44 14.213 6.282 1.247 1.00 13.30 H new ATOM 0 HA ARG A 44 13.754 3.991 -0.391 1.00 70.42 H new ATOM 0 HB2 ARG A 44 12.618 6.802 -0.258 1.00 44.32 H new ATOM 0 HB3 ARG A 44 12.086 5.647 -1.464 1.00 44.32 H new ATOM 0 HG2 ARG A 44 11.966 5.152 1.532 1.00 14.33 H new ATOM 0 HG3 ARG A 44 10.629 5.769 0.583 1.00 14.33 H new ATOM 0 HD2 ARG A 44 10.049 3.658 0.071 1.00 23.20 H new ATOM 0 HD3 ARG A 44 11.551 3.481 -0.815 1.00 23.20 H new ATOM 0 HE ARG A 44 11.899 3.096 2.059 1.00 15.11 H new ATOM 0 HH11 ARG A 44 10.939 1.585 -0.983 1.00 24.32 H new ATOM 0 HH12 ARG A 44 11.315 -0.048 -0.425 1.00 24.32 H new ATOM 0 HH21 ARG A 44 12.382 0.995 2.769 1.00 22.25 H new ATOM 0 HH22 ARG A 44 12.129 -0.381 1.691 1.00 22.25 H new ATOM 756 N LEU A 45 15.120 6.661 -1.783 1.00 42.32 N ATOM 757 CA LEU A 45 15.873 7.121 -2.945 1.00 3.31 C ATOM 758 C LEU A 45 16.899 6.078 -3.377 1.00 54.02 C ATOM 759 O LEU A 45 16.891 5.596 -4.510 1.00 53.32 O ATOM 760 CB LEU A 45 16.575 8.444 -2.631 1.00 64.42 C ATOM 761 CG LEU A 45 17.861 8.722 -3.411 1.00 2.25 C ATOM 762 CD1 LEU A 45 17.642 8.499 -4.899 1.00 3.02 C ATOM 763 CD2 LEU A 45 18.347 10.140 -3.148 1.00 4.02 C ATOM 0 H LEU A 45 14.992 7.366 -1.057 1.00 42.32 H new ATOM 0 HA LEU A 45 15.171 7.274 -3.765 1.00 3.31 H new ATOM 0 HB2 LEU A 45 15.875 9.258 -2.821 1.00 64.42 H new ATOM 0 HB3 LEU A 45 16.807 8.465 -1.566 1.00 64.42 H new ATOM 0 HG LEU A 45 18.628 8.027 -3.070 1.00 2.25 H new ATOM 0 HD11 LEU A 45 18.568 8.702 -5.437 1.00 3.02 H new ATOM 0 HD12 LEU A 45 17.341 7.466 -5.072 1.00 3.02 H new ATOM 0 HD13 LEU A 45 16.860 9.169 -5.256 1.00 3.02 H new ATOM 0 HD21 LEU A 45 19.263 10.321 -3.711 1.00 4.02 H new ATOM 0 HD22 LEU A 45 17.582 10.851 -3.461 1.00 4.02 H new ATOM 0 HD23 LEU A 45 18.545 10.265 -2.083 1.00 4.02 H new ATOM 775 N PRO A 46 17.802 5.718 -2.454 1.00 22.13 N ATOM 776 CA PRO A 46 18.849 4.726 -2.715 1.00 62.22 C ATOM 777 C PRO A 46 18.288 3.315 -2.858 1.00 43.03 C ATOM 778 O PRO A 46 18.817 2.501 -3.615 1.00 2.51 O ATOM 779 CB PRO A 46 19.746 4.822 -1.478 1.00 71.24 C ATOM 780 CG PRO A 46 18.854 5.338 -0.403 1.00 13.21 C ATOM 781 CD PRO A 46 17.871 6.251 -1.083 1.00 0.12 C ATOM 0 HA PRO A 46 19.370 4.921 -3.652 1.00 62.22 H new ATOM 0 HB2 PRO A 46 20.162 3.850 -1.214 1.00 71.24 H new ATOM 0 HB3 PRO A 46 20.588 5.493 -1.650 1.00 71.24 H new ATOM 0 HG2 PRO A 46 18.341 4.521 0.104 1.00 13.21 H new ATOM 0 HG3 PRO A 46 19.426 5.875 0.354 1.00 13.21 H new ATOM 0 HD2 PRO A 46 16.897 6.229 -0.594 1.00 0.12 H new ATOM 0 HD3 PRO A 46 18.210 7.287 -1.071 1.00 0.12 H new ATOM 789 N GLU A 47 17.215 3.033 -2.127 1.00 74.10 N ATOM 790 CA GLU A 47 16.583 1.719 -2.174 1.00 1.45 C ATOM 791 C GLU A 47 16.041 1.425 -3.569 1.00 42.44 C ATOM 792 O GLU A 47 16.196 0.318 -4.086 1.00 51.41 O ATOM 793 CB GLU A 47 15.451 1.636 -1.147 1.00 43.52 C ATOM 794 CG GLU A 47 15.883 1.058 0.190 1.00 62.43 C ATOM 795 CD GLU A 47 15.714 -0.448 0.255 1.00 2.14 C ATOM 796 OE1 GLU A 47 16.612 -1.167 -0.231 1.00 41.22 O ATOM 797 OE2 GLU A 47 14.685 -0.907 0.793 1.00 72.12 O ATOM 0 H GLU A 47 16.765 3.696 -1.496 1.00 74.10 H new ATOM 0 HA GLU A 47 17.339 0.972 -1.932 1.00 1.45 H new ATOM 0 HB2 GLU A 47 15.043 2.634 -0.987 1.00 43.52 H new ATOM 0 HB3 GLU A 47 14.646 1.024 -1.555 1.00 43.52 H new ATOM 0 HG2 GLU A 47 16.928 1.311 0.371 1.00 62.43 H new ATOM 0 HG3 GLU A 47 15.301 1.520 0.987 1.00 62.43 H new ATOM 804 N ILE A 48 15.405 2.424 -4.173 1.00 64.31 N ATOM 805 CA ILE A 48 14.841 2.273 -5.509 1.00 20.24 C ATOM 806 C ILE A 48 15.850 2.672 -6.580 1.00 60.41 C ATOM 807 O ILE A 48 15.786 2.199 -7.714 1.00 21.41 O ATOM 808 CB ILE A 48 13.566 3.119 -5.680 1.00 13.12 C ATOM 809 CG1 ILE A 48 13.836 4.573 -5.287 1.00 51.13 C ATOM 810 CG2 ILE A 48 12.431 2.542 -4.847 1.00 22.14 C ATOM 811 CD1 ILE A 48 13.322 5.577 -6.296 1.00 30.42 C ATOM 0 H ILE A 48 15.268 3.346 -3.759 1.00 64.31 H new ATOM 0 HA ILE A 48 14.587 1.220 -5.627 1.00 20.24 H new ATOM 0 HB ILE A 48 13.270 3.094 -6.729 1.00 13.12 H new ATOM 0 HG12 ILE A 48 13.373 4.772 -4.320 1.00 51.13 H new ATOM 0 HG13 ILE A 48 14.910 4.714 -5.161 1.00 51.13 H new ATOM 0 HG21 ILE A 48 11.537 3.151 -4.979 1.00 22.14 H new ATOM 0 HG22 ILE A 48 12.225 1.521 -5.170 1.00 22.14 H new ATOM 0 HG23 ILE A 48 12.717 2.539 -3.795 1.00 22.14 H new ATOM 0 HD11 ILE A 48 13.548 6.586 -5.952 1.00 30.42 H new ATOM 0 HD12 ILE A 48 13.804 5.405 -7.258 1.00 30.42 H new ATOM 0 HD13 ILE A 48 12.243 5.464 -6.405 1.00 30.42 H new ATOM 823 N ASN A 49 16.782 3.544 -6.212 1.00 5.24 N ATOM 824 CA ASN A 49 17.807 4.006 -7.141 1.00 51.21 C ATOM 825 C ASN A 49 19.097 4.348 -6.402 1.00 42.54 C ATOM 826 O ASN A 49 19.247 5.429 -5.832 1.00 20.15 O ATOM 827 CB ASN A 49 17.309 5.229 -7.915 1.00 22.23 C ATOM 828 CG ASN A 49 17.938 5.338 -9.290 1.00 62.03 C ATOM 829 OD1 ASN A 49 19.144 5.146 -9.451 1.00 35.30 O ATOM 830 ND2 ASN A 49 17.122 5.648 -10.291 1.00 1.31 N ATOM 0 H ASN A 49 16.849 3.945 -5.277 1.00 5.24 H new ATOM 0 HA ASN A 49 18.015 3.199 -7.844 1.00 51.21 H new ATOM 0 HB2 ASN A 49 16.225 5.174 -8.018 1.00 22.23 H new ATOM 0 HB3 ASN A 49 17.530 6.131 -7.345 1.00 22.23 H new ATOM 0 HD21 ASN A 49 17.488 5.736 -11.239 1.00 1.31 H new ATOM 0 HD22 ASN A 49 16.129 5.798 -10.112 1.00 1.31 H new ATOM 837 N PRO A 50 20.053 3.407 -6.413 1.00 53.11 N ATOM 838 CA PRO A 50 21.348 3.586 -5.750 1.00 53.21 C ATOM 839 C PRO A 50 22.221 4.620 -6.453 1.00 60.43 C ATOM 840 O PRO A 50 22.917 5.402 -5.806 1.00 12.22 O ATOM 841 CB PRO A 50 21.986 2.198 -5.838 1.00 62.21 C ATOM 842 CG PRO A 50 21.347 1.561 -7.024 1.00 1.42 C ATOM 843 CD PRO A 50 19.942 2.096 -7.074 1.00 24.32 C ATOM 0 HA PRO A 50 21.237 3.955 -4.730 1.00 53.21 H new ATOM 0 HB2 PRO A 50 23.067 2.266 -5.960 1.00 62.21 H new ATOM 0 HB3 PRO A 50 21.803 1.620 -4.932 1.00 62.21 H new ATOM 0 HG2 PRO A 50 21.890 1.804 -7.937 1.00 1.42 H new ATOM 0 HG3 PRO A 50 21.348 0.475 -6.932 1.00 1.42 H new ATOM 0 HD2 PRO A 50 19.585 2.192 -8.099 1.00 24.32 H new ATOM 0 HD3 PRO A 50 19.244 1.441 -6.553 1.00 24.32 H new ATOM 851 N ASP A 51 22.180 4.617 -7.781 1.00 55.11 N ATOM 852 CA ASP A 51 22.966 5.556 -8.572 1.00 43.04 C ATOM 853 C ASP A 51 22.532 6.993 -8.301 1.00 31.12 C ATOM 854 O ASP A 51 23.360 7.862 -8.025 1.00 65.23 O ATOM 855 CB ASP A 51 22.828 5.241 -10.063 1.00 13.23 C ATOM 856 CG ASP A 51 23.612 4.009 -10.469 1.00 75.15 C ATOM 857 OD1 ASP A 51 23.466 2.966 -9.799 1.00 71.31 O ATOM 858 OD2 ASP A 51 24.371 4.088 -11.458 1.00 23.03 O ATOM 0 H ASP A 51 21.611 3.975 -8.332 1.00 55.11 H new ATOM 0 HA ASP A 51 24.011 5.451 -8.281 1.00 43.04 H new ATOM 0 HB2 ASP A 51 21.775 5.094 -10.304 1.00 13.23 H new ATOM 0 HB3 ASP A 51 23.172 6.096 -10.645 1.00 13.23 H new ATOM 863 N LEU A 52 21.229 7.237 -8.381 1.00 74.33 N ATOM 864 CA LEU A 52 20.683 8.569 -8.145 1.00 44.01 C ATOM 865 C LEU A 52 20.961 9.026 -6.717 1.00 23.35 C ATOM 866 O LEU A 52 21.126 10.217 -6.456 1.00 53.22 O ATOM 867 CB LEU A 52 19.177 8.580 -8.412 1.00 62.02 C ATOM 868 CG LEU A 52 18.648 9.765 -9.221 1.00 35.32 C ATOM 869 CD1 LEU A 52 19.005 9.610 -10.691 1.00 2.32 C ATOM 870 CD2 LEU A 52 17.142 9.898 -9.048 1.00 14.04 C ATOM 0 H LEU A 52 20.530 6.529 -8.608 1.00 74.33 H new ATOM 0 HA LEU A 52 21.172 9.261 -8.830 1.00 44.01 H new ATOM 0 HB2 LEU A 52 18.914 7.661 -8.937 1.00 62.02 H new ATOM 0 HB3 LEU A 52 18.658 8.559 -7.454 1.00 62.02 H new ATOM 0 HG LEU A 52 19.119 10.674 -8.848 1.00 35.32 H new ATOM 0 HD11 LEU A 52 18.620 10.463 -11.251 1.00 2.32 H new ATOM 0 HD12 LEU A 52 20.089 9.564 -10.799 1.00 2.32 H new ATOM 0 HD13 LEU A 52 18.562 8.692 -11.078 1.00 2.32 H new ATOM 0 HD21 LEU A 52 16.782 10.746 -9.630 1.00 14.04 H new ATOM 0 HD22 LEU A 52 16.654 8.987 -9.394 1.00 14.04 H new ATOM 0 HD23 LEU A 52 16.909 10.056 -7.995 1.00 14.04 H new ATOM 882 N ALA A 53 21.014 8.070 -5.795 1.00 24.31 N ATOM 883 CA ALA A 53 21.277 8.373 -4.394 1.00 11.14 C ATOM 884 C ALA A 53 22.639 9.036 -4.221 1.00 42.24 C ATOM 885 O ALA A 53 22.868 9.764 -3.256 1.00 61.22 O ATOM 886 CB ALA A 53 21.194 7.106 -3.555 1.00 5.42 C ATOM 0 H ALA A 53 20.878 7.079 -5.994 1.00 24.31 H new ATOM 0 HA ALA A 53 20.516 9.073 -4.051 1.00 11.14 H new ATOM 0 HB1 ALA A 53 21.393 7.347 -2.511 1.00 5.42 H new ATOM 0 HB2 ALA A 53 20.197 6.675 -3.644 1.00 5.42 H new ATOM 0 HB3 ALA A 53 21.933 6.387 -3.908 1.00 5.42 H new ATOM 892 N ASN A 54 23.541 8.779 -5.164 1.00 13.15 N ATOM 893 CA ASN A 54 24.882 9.350 -5.115 1.00 13.44 C ATOM 894 C ASN A 54 24.851 10.839 -5.448 1.00 63.24 C ATOM 895 O ASN A 54 25.618 11.625 -4.893 1.00 21.30 O ATOM 896 CB ASN A 54 25.807 8.617 -6.088 1.00 30.25 C ATOM 897 CG ASN A 54 26.883 7.821 -5.374 1.00 13.12 C ATOM 898 OD1 ASN A 54 27.767 8.388 -4.732 1.00 43.24 O ATOM 899 ND2 ASN A 54 26.811 6.500 -5.483 1.00 22.42 N ATOM 0 H ASN A 54 23.367 8.179 -5.971 1.00 13.15 H new ATOM 0 HA ASN A 54 25.265 9.230 -4.101 1.00 13.44 H new ATOM 0 HB2 ASN A 54 25.216 7.946 -6.711 1.00 30.25 H new ATOM 0 HB3 ASN A 54 26.276 9.341 -6.754 1.00 30.25 H new ATOM 0 HD21 ASN A 54 27.506 5.912 -5.024 1.00 22.42 H new ATOM 0 HD22 ASN A 54 26.060 6.073 -6.026 1.00 22.42 H new ATOM 906 N GLU A 55 23.960 11.218 -6.359 1.00 34.52 N ATOM 907 CA GLU A 55 23.830 12.612 -6.766 1.00 71.42 C ATOM 908 C GLU A 55 23.652 13.519 -5.552 1.00 75.12 C ATOM 909 O GLU A 55 24.429 14.450 -5.339 1.00 73.50 O ATOM 910 CB GLU A 55 22.645 12.779 -7.720 1.00 44.22 C ATOM 911 CG GLU A 55 22.654 11.797 -8.879 1.00 72.33 C ATOM 912 CD GLU A 55 21.729 12.215 -10.006 1.00 11.44 C ATOM 913 OE1 GLU A 55 20.589 12.634 -9.714 1.00 21.42 O ATOM 914 OE2 GLU A 55 22.146 12.125 -11.179 1.00 72.25 O ATOM 0 H GLU A 55 23.318 10.580 -6.829 1.00 34.52 H new ATOM 0 HA GLU A 55 24.746 12.900 -7.282 1.00 71.42 H new ATOM 0 HB2 GLU A 55 21.718 12.658 -7.159 1.00 44.22 H new ATOM 0 HB3 GLU A 55 22.648 13.795 -8.115 1.00 44.22 H new ATOM 0 HG2 GLU A 55 23.670 11.704 -9.263 1.00 72.33 H new ATOM 0 HG3 GLU A 55 22.358 10.812 -8.518 1.00 72.33 H new ATOM 921 N VAL A 56 22.621 13.241 -4.759 1.00 64.13 N ATOM 922 CA VAL A 56 22.340 14.030 -3.566 1.00 41.53 C ATOM 923 C VAL A 56 23.473 13.917 -2.552 1.00 73.42 C ATOM 924 O VAL A 56 23.689 14.818 -1.742 1.00 40.21 O ATOM 925 CB VAL A 56 21.023 13.591 -2.900 1.00 30.31 C ATOM 926 CG1 VAL A 56 21.070 12.112 -2.548 1.00 61.43 C ATOM 927 CG2 VAL A 56 20.745 14.432 -1.664 1.00 11.44 C ATOM 0 H VAL A 56 21.967 12.475 -4.922 1.00 64.13 H new ATOM 0 HA VAL A 56 22.247 15.067 -3.888 1.00 41.53 H new ATOM 0 HB VAL A 56 20.209 13.746 -3.608 1.00 30.31 H new ATOM 0 HG11 VAL A 56 20.131 11.820 -2.078 1.00 61.43 H new ATOM 0 HG12 VAL A 56 21.220 11.527 -3.455 1.00 61.43 H new ATOM 0 HG13 VAL A 56 21.893 11.928 -1.858 1.00 61.43 H new ATOM 0 HG21 VAL A 56 19.810 14.108 -1.206 1.00 11.44 H new ATOM 0 HG22 VAL A 56 21.560 14.311 -0.950 1.00 11.44 H new ATOM 0 HG23 VAL A 56 20.665 15.481 -1.948 1.00 11.44 H new ATOM 937 N LYS A 57 24.195 12.802 -2.602 1.00 55.24 N ATOM 938 CA LYS A 57 25.308 12.569 -1.690 1.00 15.12 C ATOM 939 C LYS A 57 26.527 13.388 -2.099 1.00 44.31 C ATOM 940 O LYS A 57 27.344 13.763 -1.259 1.00 2.33 O ATOM 941 CB LYS A 57 25.666 11.082 -1.659 1.00 32.40 C ATOM 942 CG LYS A 57 27.018 10.795 -1.030 1.00 20.43 C ATOM 943 CD LYS A 57 27.081 11.288 0.406 1.00 42.51 C ATOM 944 CE LYS A 57 26.176 10.472 1.316 1.00 5.34 C ATOM 945 NZ LYS A 57 26.683 9.084 1.503 1.00 43.55 N ATOM 0 H LYS A 57 24.029 12.045 -3.265 1.00 55.24 H new ATOM 0 HA LYS A 57 25.000 12.883 -0.693 1.00 15.12 H new ATOM 0 HB2 LYS A 57 24.896 10.543 -1.107 1.00 32.40 H new ATOM 0 HB3 LYS A 57 25.659 10.694 -2.678 1.00 32.40 H new ATOM 0 HG2 LYS A 57 27.212 9.723 -1.056 1.00 20.43 H new ATOM 0 HG3 LYS A 57 27.802 11.275 -1.615 1.00 20.43 H new ATOM 0 HD2 LYS A 57 28.108 11.231 0.767 1.00 42.51 H new ATOM 0 HD3 LYS A 57 26.787 12.337 0.445 1.00 42.51 H new ATOM 0 HE2 LYS A 57 26.098 10.964 2.286 1.00 5.34 H new ATOM 0 HE3 LYS A 57 25.172 10.438 0.894 1.00 5.34 H new ATOM 0 HZ1 LYS A 57 26.163 8.626 2.278 1.00 43.55 H new ATOM 0 HZ2 LYS A 57 26.544 8.543 0.626 1.00 43.55 H new ATOM 0 HZ3 LYS A 57 27.696 9.113 1.735 1.00 43.55 H new ATOM 959 N GLU A 58 26.643 13.663 -3.395 1.00 32.13 N ATOM 960 CA GLU A 58 27.763 14.438 -3.914 1.00 2.54 C ATOM 961 C GLU A 58 27.726 15.869 -3.385 1.00 15.50 C ATOM 962 O GLU A 58 28.705 16.361 -2.824 1.00 64.01 O ATOM 963 CB GLU A 58 27.741 14.448 -5.444 1.00 32.44 C ATOM 964 CG GLU A 58 28.211 13.144 -6.067 1.00 2.20 C ATOM 965 CD GLU A 58 28.754 13.331 -7.471 1.00 14.24 C ATOM 966 OE1 GLU A 58 28.283 14.253 -8.170 1.00 75.50 O ATOM 967 OE2 GLU A 58 29.648 12.557 -7.870 1.00 21.13 O ATOM 0 H GLU A 58 25.975 13.360 -4.104 1.00 32.13 H new ATOM 0 HA GLU A 58 28.685 13.967 -3.574 1.00 2.54 H new ATOM 0 HB2 GLU A 58 26.727 14.658 -5.783 1.00 32.44 H new ATOM 0 HB3 GLU A 58 28.372 15.261 -5.803 1.00 32.44 H new ATOM 0 HG2 GLU A 58 28.984 12.703 -5.438 1.00 2.20 H new ATOM 0 HG3 GLU A 58 27.381 12.438 -6.093 1.00 2.20 H new ATOM 974 N ILE A 59 26.589 16.532 -3.569 1.00 14.03 N ATOM 975 CA ILE A 59 26.423 17.906 -3.110 1.00 72.32 C ATOM 976 C ILE A 59 26.651 18.015 -1.607 1.00 24.35 C ATOM 977 O ILE A 59 27.108 19.045 -1.110 1.00 5.11 O ATOM 978 CB ILE A 59 25.020 18.446 -3.445 1.00 72.53 C ATOM 979 CG1 ILE A 59 23.945 17.582 -2.781 1.00 43.03 C ATOM 980 CG2 ILE A 59 24.815 18.490 -4.952 1.00 63.42 C ATOM 981 CD1 ILE A 59 22.539 18.094 -2.999 1.00 12.41 C ATOM 0 H ILE A 59 25.769 16.140 -4.033 1.00 14.03 H new ATOM 0 HA ILE A 59 27.169 18.505 -3.633 1.00 72.32 H new ATOM 0 HB ILE A 59 24.935 19.461 -3.057 1.00 72.53 H new ATOM 0 HG12 ILE A 59 24.017 16.566 -3.168 1.00 43.03 H new ATOM 0 HG13 ILE A 59 24.142 17.530 -1.710 1.00 43.03 H new ATOM 0 HG21 ILE A 59 23.819 18.874 -5.173 1.00 63.42 H new ATOM 0 HG22 ILE A 59 25.563 19.142 -5.402 1.00 63.42 H new ATOM 0 HG23 ILE A 59 24.916 17.485 -5.362 1.00 63.42 H new ATOM 0 HD11 ILE A 59 21.830 17.433 -2.501 1.00 12.41 H new ATOM 0 HD12 ILE A 59 22.450 19.099 -2.587 1.00 12.41 H new ATOM 0 HD13 ILE A 59 22.323 18.120 -4.067 1.00 12.41 H new ATOM 993 N LEU A 60 26.332 16.945 -0.886 1.00 44.12 N ATOM 994 CA LEU A 60 26.505 16.919 0.562 1.00 32.22 C ATOM 995 C LEU A 60 27.972 17.093 0.939 1.00 5.31 C ATOM 996 O LEU A 60 28.307 17.881 1.824 1.00 31.23 O ATOM 997 CB LEU A 60 25.972 15.604 1.135 1.00 0.42 C ATOM 998 CG LEU A 60 24.458 15.522 1.329 1.00 75.42 C ATOM 999 CD1 LEU A 60 24.063 14.158 1.874 1.00 31.05 C ATOM 1000 CD2 LEU A 60 23.977 16.628 2.256 1.00 1.40 C ATOM 0 H LEU A 60 25.952 16.085 -1.281 1.00 44.12 H new ATOM 0 HA LEU A 60 25.940 17.749 0.985 1.00 32.22 H new ATOM 0 HB2 LEU A 60 26.278 14.793 0.475 1.00 0.42 H new ATOM 0 HB3 LEU A 60 26.452 15.430 2.098 1.00 0.42 H new ATOM 0 HG LEU A 60 23.980 15.656 0.359 1.00 75.42 H new ATOM 0 HD11 LEU A 60 22.982 14.118 2.006 1.00 31.05 H new ATOM 0 HD12 LEU A 60 24.372 13.383 1.173 1.00 31.05 H new ATOM 0 HD13 LEU A 60 24.552 13.994 2.834 1.00 31.05 H new ATOM 0 HD21 LEU A 60 22.897 16.553 2.382 1.00 1.40 H new ATOM 0 HD22 LEU A 60 24.463 16.527 3.226 1.00 1.40 H new ATOM 0 HD23 LEU A 60 24.226 17.598 1.825 1.00 1.40 H new ATOM 1012 N ASP A 61 28.844 16.355 0.260 1.00 12.34 N ATOM 1013 CA ASP A 61 30.277 16.431 0.521 1.00 34.34 C ATOM 1014 C ASP A 61 30.795 17.848 0.300 1.00 5.12 C ATOM 1015 O ASP A 61 31.796 18.253 0.893 1.00 54.41 O ATOM 1016 CB ASP A 61 31.033 15.451 -0.378 1.00 13.32 C ATOM 1017 CG ASP A 61 32.410 15.117 0.160 1.00 21.31 C ATOM 1018 OD1 ASP A 61 32.597 15.177 1.394 1.00 54.34 O ATOM 1019 OD2 ASP A 61 33.301 14.793 -0.652 1.00 43.44 O ATOM 0 H ASP A 61 28.584 15.698 -0.475 1.00 12.34 H new ATOM 0 HA ASP A 61 30.447 16.161 1.563 1.00 34.34 H new ATOM 0 HB2 ASP A 61 30.453 14.534 -0.479 1.00 13.32 H new ATOM 0 HB3 ASP A 61 31.130 15.878 -1.376 1.00 13.32 H new ATOM 1024 N TYR A 62 30.110 18.596 -0.557 1.00 10.31 N ATOM 1025 CA TYR A 62 30.504 19.967 -0.859 1.00 55.24 C ATOM 1026 C TYR A 62 29.907 20.941 0.152 1.00 3.04 C ATOM 1027 O TYR A 62 30.455 22.018 0.393 1.00 74.24 O ATOM 1028 CB TYR A 62 30.059 20.348 -2.273 1.00 24.42 C ATOM 1029 CG TYR A 62 30.000 21.840 -2.508 1.00 23.00 C ATOM 1030 CD1 TYR A 62 31.159 22.606 -2.531 1.00 50.11 C ATOM 1031 CD2 TYR A 62 28.785 22.484 -2.708 1.00 62.20 C ATOM 1032 CE1 TYR A 62 31.109 23.970 -2.745 1.00 24.02 C ATOM 1033 CE2 TYR A 62 28.726 23.847 -2.924 1.00 2.00 C ATOM 1034 CZ TYR A 62 29.891 24.586 -2.941 1.00 31.20 C ATOM 1035 OH TYR A 62 29.837 25.944 -3.156 1.00 24.04 O ATOM 0 H TYR A 62 29.279 18.276 -1.055 1.00 10.31 H new ATOM 0 HA TYR A 62 31.591 20.027 -0.797 1.00 55.24 H new ATOM 0 HB2 TYR A 62 30.745 19.902 -2.993 1.00 24.42 H new ATOM 0 HB3 TYR A 62 29.075 19.920 -2.463 1.00 24.42 H new ATOM 0 HD1 TYR A 62 32.115 22.127 -2.379 1.00 50.11 H new ATOM 0 HD2 TYR A 62 27.871 21.909 -2.694 1.00 62.20 H new ATOM 0 HE1 TYR A 62 32.019 24.551 -2.759 1.00 24.02 H new ATOM 0 HE2 TYR A 62 27.773 24.332 -3.079 1.00 2.00 H new ATOM 0 HH TYR A 62 28.904 26.219 -3.277 1.00 24.04 H new ATOM 1045 N HIS A 63 28.781 20.554 0.744 1.00 44.23 N ATOM 1046 CA HIS A 63 28.110 21.391 1.731 1.00 12.54 C ATOM 1047 C HIS A 63 28.913 21.454 3.027 1.00 61.00 C ATOM 1048 O HIS A 63 28.789 22.402 3.802 1.00 15.42 O ATOM 1049 CB HIS A 63 26.705 20.857 2.014 1.00 43.14 C ATOM 1050 CG HIS A 63 25.828 20.807 0.801 1.00 44.35 C ATOM 1051 ND1 HIS A 63 24.776 19.927 0.668 1.00 33.55 N ATOM 1052 CD2 HIS A 63 25.851 21.537 -0.339 1.00 43.40 C ATOM 1053 CE1 HIS A 63 24.190 20.116 -0.500 1.00 61.25 C ATOM 1054 NE2 HIS A 63 24.823 21.088 -1.131 1.00 45.22 N ATOM 0 H HIS A 63 28.315 19.666 0.557 1.00 44.23 H new ATOM 0 HA HIS A 63 28.032 22.399 1.323 1.00 12.54 H new ATOM 0 HB2 HIS A 63 26.784 19.855 2.437 1.00 43.14 H new ATOM 0 HB3 HIS A 63 26.232 21.485 2.769 1.00 43.14 H new ATOM 0 HD2 HIS A 63 26.548 22.326 -0.581 1.00 43.40 H new ATOM 0 HE1 HIS A 63 23.338 19.569 -0.875 1.00 61.25 H new ATOM 0 HE2 HIS A 63 24.587 21.447 -2.056 1.00 45.22 H new ATOM 1062 N LYS A 64 29.737 20.437 3.256 1.00 11.12 N ATOM 1063 CA LYS A 64 30.561 20.375 4.457 1.00 4.52 C ATOM 1064 C LYS A 64 31.849 21.173 4.275 1.00 60.33 C ATOM 1065 O LYS A 64 32.434 21.655 5.244 1.00 0.52 O ATOM 1066 CB LYS A 64 30.894 18.921 4.799 1.00 54.13 C ATOM 1067 CG LYS A 64 29.882 18.267 5.724 1.00 53.24 C ATOM 1068 CD LYS A 64 30.464 17.044 6.412 1.00 42.12 C ATOM 1069 CE LYS A 64 30.470 15.835 5.489 1.00 55.00 C ATOM 1070 NZ LYS A 64 30.644 14.563 6.243 1.00 63.32 N ATOM 0 H LYS A 64 29.852 19.644 2.625 1.00 11.12 H new ATOM 0 HA LYS A 64 29.995 20.814 5.278 1.00 4.52 H new ATOM 0 HB2 LYS A 64 30.956 18.344 3.876 1.00 54.13 H new ATOM 0 HB3 LYS A 64 31.878 18.882 5.266 1.00 54.13 H new ATOM 0 HG2 LYS A 64 29.555 18.987 6.475 1.00 53.24 H new ATOM 0 HG3 LYS A 64 28.999 17.979 5.153 1.00 53.24 H new ATOM 0 HD2 LYS A 64 31.482 17.259 6.739 1.00 42.12 H new ATOM 0 HD3 LYS A 64 29.883 16.817 7.306 1.00 42.12 H new ATOM 0 HE2 LYS A 64 29.535 15.801 4.929 1.00 55.00 H new ATOM 0 HE3 LYS A 64 31.274 15.938 4.760 1.00 55.00 H new ATOM 0 HZ1 LYS A 64 30.643 13.763 5.579 1.00 63.32 H new ATOM 0 HZ2 LYS A 64 31.548 14.585 6.757 1.00 63.32 H new ATOM 0 HZ3 LYS A 64 29.863 14.452 6.921 1.00 63.32 H new ATOM 1084 N SER A 65 32.284 21.308 3.026 1.00 21.30 N ATOM 1085 CA SER A 65 33.504 22.045 2.717 1.00 30.41 C ATOM 1086 C SER A 65 33.361 23.515 3.097 1.00 40.42 C ATOM 1087 O SER A 65 34.182 24.059 3.836 1.00 42.43 O ATOM 1088 CB SER A 65 33.837 21.920 1.229 1.00 0.41 C ATOM 1089 OG SER A 65 34.049 20.567 0.865 1.00 1.32 O ATOM 0 H SER A 65 31.810 20.917 2.212 1.00 21.30 H new ATOM 0 HA SER A 65 34.318 21.615 3.301 1.00 30.41 H new ATOM 0 HB2 SER A 65 33.023 22.336 0.635 1.00 0.41 H new ATOM 0 HB3 SER A 65 34.729 22.505 1.002 1.00 0.41 H new ATOM 0 HG SER A 65 33.211 20.067 0.960 1.00 1.32 H new ATOM 1095 N ILE A 66 32.313 24.153 2.586 1.00 70.51 N ATOM 1096 CA ILE A 66 32.061 25.560 2.872 1.00 62.54 C ATOM 1097 C ILE A 66 31.306 25.727 4.186 1.00 52.03 C ATOM 1098 O ILE A 66 31.059 26.847 4.633 1.00 0.11 O ATOM 1099 CB ILE A 66 31.257 26.228 1.741 1.00 10.43 C ATOM 1100 CG1 ILE A 66 29.760 25.982 1.936 1.00 34.23 C ATOM 1101 CG2 ILE A 66 31.713 25.707 0.387 1.00 41.33 C ATOM 1102 CD1 ILE A 66 29.380 24.518 1.910 1.00 31.22 C ATOM 0 H ILE A 66 31.625 23.718 1.972 1.00 70.51 H new ATOM 0 HA ILE A 66 33.033 26.046 2.951 1.00 62.54 H new ATOM 0 HB ILE A 66 31.437 27.303 1.774 1.00 10.43 H new ATOM 0 HG12 ILE A 66 29.450 26.413 2.888 1.00 34.23 H new ATOM 0 HG13 ILE A 66 29.209 26.506 1.155 1.00 34.23 H new ATOM 0 HG21 ILE A 66 31.135 26.189 -0.402 1.00 41.33 H new ATOM 0 HG22 ILE A 66 32.771 25.929 0.249 1.00 41.33 H new ATOM 0 HG23 ILE A 66 31.560 24.629 0.342 1.00 41.33 H new ATOM 0 HD11 ILE A 66 28.304 24.419 2.054 1.00 31.22 H new ATOM 0 HD12 ILE A 66 29.658 24.087 0.948 1.00 31.22 H new ATOM 0 HD13 ILE A 66 29.903 23.992 2.709 1.00 31.22 H new ATOM 1114 N ARG A 67 30.943 24.606 4.800 1.00 31.12 N ATOM 1115 CA ARG A 67 30.216 24.628 6.064 1.00 50.32 C ATOM 1116 C ARG A 67 30.909 25.539 7.074 1.00 72.35 C ATOM 1117 O ARG A 67 30.254 26.272 7.815 1.00 3.32 O ATOM 1118 CB ARG A 67 30.098 23.214 6.634 1.00 72.53 C ATOM 1119 CG ARG A 67 29.450 23.163 8.008 1.00 64.40 C ATOM 1120 CD ARG A 67 30.488 23.246 9.116 1.00 3.02 C ATOM 1121 NE ARG A 67 30.109 24.205 10.150 1.00 2.31 N ATOM 1122 CZ ARG A 67 29.186 23.963 11.074 1.00 2.23 C ATOM 1123 NH1 ARG A 67 28.552 22.799 11.094 1.00 50.05 N ATOM 1124 NH2 ARG A 67 28.896 24.887 11.982 1.00 25.52 N ATOM 0 H ARG A 67 31.140 23.671 4.443 1.00 31.12 H new ATOM 0 HA ARG A 67 29.217 25.020 5.873 1.00 50.32 H new ATOM 0 HB2 ARG A 67 29.517 22.601 5.945 1.00 72.53 H new ATOM 0 HB3 ARG A 67 31.092 22.771 6.694 1.00 72.53 H new ATOM 0 HG2 ARG A 67 28.742 23.986 8.109 1.00 64.40 H new ATOM 0 HG3 ARG A 67 28.881 22.239 8.109 1.00 64.40 H new ATOM 0 HD2 ARG A 67 30.618 22.261 9.565 1.00 3.02 H new ATOM 0 HD3 ARG A 67 31.450 23.532 8.691 1.00 3.02 H new ATOM 0 HE ARG A 67 30.579 25.110 10.163 1.00 2.31 H new ATOM 0 HH11 ARG A 67 28.772 22.086 10.399 1.00 50.05 H new ATOM 0 HH12 ARG A 67 27.844 22.616 11.805 1.00 50.05 H new ATOM 0 HH21 ARG A 67 29.382 25.784 11.970 1.00 25.52 H new ATOM 0 HH22 ARG A 67 28.187 24.700 12.691 1.00 25.52 H new ATOM 1138 N HIS A 68 32.237 25.486 7.097 1.00 72.23 N ATOM 1139 CA HIS A 68 33.019 26.306 8.015 1.00 33.33 C ATOM 1140 C HIS A 68 32.613 27.773 7.914 1.00 71.12 C ATOM 1141 O HIS A 68 32.629 28.502 8.906 1.00 12.43 O ATOM 1142 CB HIS A 68 34.512 26.156 7.721 1.00 33.15 C ATOM 1143 CG HIS A 68 35.280 25.512 8.835 1.00 54.33 C ATOM 1144 ND1 HIS A 68 36.390 26.089 9.415 1.00 70.24 N ATOM 1145 CD2 HIS A 68 35.091 24.335 9.476 1.00 55.32 C ATOM 1146 CE1 HIS A 68 36.852 25.293 10.363 1.00 53.41 C ATOM 1147 NE2 HIS A 68 36.081 24.223 10.421 1.00 74.44 N ATOM 0 H HIS A 68 32.794 24.884 6.491 1.00 72.23 H new ATOM 0 HA HIS A 68 32.820 25.962 9.030 1.00 33.33 H new ATOM 0 HB2 HIS A 68 34.638 25.564 6.814 1.00 33.15 H new ATOM 0 HB3 HIS A 68 34.935 27.140 7.520 1.00 33.15 H new ATOM 0 HD2 HIS A 68 34.308 23.618 9.281 1.00 55.32 H new ATOM 0 HE1 HIS A 68 37.714 25.485 10.985 1.00 53.41 H new ATOM 0 HE2 HIS A 68 36.201 23.440 11.064 1.00 74.44 H new ATOM 1155 N LEU A 69 32.250 28.199 6.709 1.00 5.41 N ATOM 1156 CA LEU A 69 31.841 29.580 6.477 1.00 11.25 C ATOM 1157 C LEU A 69 30.388 29.794 6.890 1.00 22.14 C ATOM 1158 O LEU A 69 30.004 30.888 7.303 1.00 5.44 O ATOM 1159 CB LEU A 69 32.023 29.947 5.004 1.00 62.45 C ATOM 1160 CG LEU A 69 33.438 29.795 4.444 1.00 21.42 C ATOM 1161 CD1 LEU A 69 33.394 29.522 2.949 1.00 65.33 C ATOM 1162 CD2 LEU A 69 34.264 31.039 4.737 1.00 31.32 C ATOM 0 H LEU A 69 32.231 27.608 5.878 1.00 5.41 H new ATOM 0 HA LEU A 69 32.472 30.227 7.086 1.00 11.25 H new ATOM 0 HB2 LEU A 69 31.350 29.328 4.410 1.00 62.45 H new ATOM 0 HB3 LEU A 69 31.709 30.982 4.867 1.00 62.45 H new ATOM 0 HG LEU A 69 33.912 28.945 4.934 1.00 21.42 H new ATOM 0 HD11 LEU A 69 34.410 29.417 2.568 1.00 65.33 H new ATOM 0 HD12 LEU A 69 32.840 28.602 2.763 1.00 65.33 H new ATOM 0 HD13 LEU A 69 32.901 30.351 2.442 1.00 65.33 H new ATOM 0 HD21 LEU A 69 35.268 30.913 4.331 1.00 31.32 H new ATOM 0 HD22 LEU A 69 33.792 31.906 4.275 1.00 31.32 H new ATOM 0 HD23 LEU A 69 34.325 31.190 5.815 1.00 31.32 H new ATOM 1174 N ARG A 70 29.585 28.741 6.778 1.00 24.31 N ATOM 1175 CA ARG A 70 28.175 28.813 7.141 1.00 62.14 C ATOM 1176 C ARG A 70 28.000 28.763 8.656 1.00 41.43 C ATOM 1177 O ARG A 70 27.006 29.250 9.192 1.00 12.22 O ATOM 1178 CB ARG A 70 27.400 27.666 6.489 1.00 11.22 C ATOM 1179 CG ARG A 70 27.726 27.469 5.018 1.00 53.33 C ATOM 1180 CD ARG A 70 27.027 26.243 4.452 1.00 51.14 C ATOM 1181 NE ARG A 70 26.368 26.527 3.180 1.00 50.04 N ATOM 1182 CZ ARG A 70 25.198 27.148 3.081 1.00 73.34 C ATOM 1183 NH1 ARG A 70 24.561 27.548 4.173 1.00 62.32 N ATOM 1184 NH2 ARG A 70 24.662 27.370 1.887 1.00 1.01 N ATOM 0 H ARG A 70 29.887 27.828 6.439 1.00 24.31 H new ATOM 0 HA ARG A 70 27.780 29.762 6.778 1.00 62.14 H new ATOM 0 HB2 ARG A 70 27.614 26.742 7.027 1.00 11.22 H new ATOM 0 HB3 ARG A 70 26.332 27.855 6.593 1.00 11.22 H new ATOM 0 HG2 ARG A 70 27.425 28.353 4.456 1.00 53.33 H new ATOM 0 HG3 ARG A 70 28.804 27.364 4.894 1.00 53.33 H new ATOM 0 HD2 ARG A 70 27.754 25.443 4.313 1.00 51.14 H new ATOM 0 HD3 ARG A 70 26.290 25.882 5.170 1.00 51.14 H new ATOM 0 HE ARG A 70 26.832 26.232 2.321 1.00 50.04 H new ATOM 0 HH11 ARG A 70 24.969 27.379 5.092 1.00 62.32 H new ATOM 0 HH12 ARG A 70 23.663 28.025 4.094 1.00 62.32 H new ATOM 0 HH21 ARG A 70 25.149 27.064 1.045 1.00 1.01 H new ATOM 0 HH22 ARG A 70 23.763 27.847 1.812 1.00 1.01 H new