USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 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 USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0.159 USER MOD Set 1.3: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 14:sc= -1.23 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= -0.683 (180deg=-1.56!) USER MOD Single : A 15 TYR OH : rot -129:sc= 0.405 USER MOD Single : A 19 THR OG1 : rot -135:sc= -1.23 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.062 USER MOD Single : A 28 LYS NZ :NH3+ -121:sc= -0.0767 (180deg=-1.59!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= -7.46! C(o=-7.5!,f=-8.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -81:sc= 0.983 USER MOD Single : A 49 ASN : amide:sc= -0.275 X(o=-0.28,f=-0.33) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.34! C(o=-6.3!,f=-11!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 70:sc= 0.0358 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.610 6.295 -4.569 1.00 74.43 N ATOM 88 CA LYS A 6 8.978 6.073 -5.021 1.00 40.45 C ATOM 89 C LYS A 6 9.339 7.031 -6.152 1.00 51.25 C ATOM 90 O LYS A 6 10.509 7.354 -6.354 1.00 70.02 O ATOM 91 CB LYS A 6 9.155 4.627 -5.488 1.00 23.31 C ATOM 92 CG LYS A 6 8.895 4.430 -6.971 1.00 64.24 C ATOM 93 CD LYS A 6 10.167 4.594 -7.787 1.00 11.21 C ATOM 94 CE LYS A 6 10.412 3.392 -8.686 1.00 53.22 C ATOM 95 NZ LYS A 6 11.157 3.765 -9.920 1.00 44.30 N ATOM 0 HA LYS A 6 9.646 6.261 -4.181 1.00 40.45 H new ATOM 0 HB2 LYS A 6 10.170 4.302 -5.260 1.00 23.31 H new ATOM 0 HB3 LYS A 6 8.480 3.986 -4.921 1.00 23.31 H new ATOM 0 HG2 LYS A 6 8.479 3.437 -7.140 1.00 64.24 H new ATOM 0 HG3 LYS A 6 8.149 5.149 -7.309 1.00 64.24 H new ATOM 0 HD2 LYS A 6 10.097 5.496 -8.395 1.00 11.21 H new ATOM 0 HD3 LYS A 6 11.016 4.727 -7.116 1.00 11.21 H new ATOM 0 HE2 LYS A 6 10.974 2.636 -8.137 1.00 53.22 H new ATOM 0 HE3 LYS A 6 9.457 2.943 -8.960 1.00 53.22 H new ATOM 0 HZ1 LYS A 6 11.304 2.918 -10.506 1.00 44.30 H new ATOM 0 HZ2 LYS A 6 10.609 4.467 -10.457 1.00 44.30 H new ATOM 0 HZ3 LYS A 6 12.079 4.170 -9.660 1.00 44.30 H new ATOM 109 N GLU A 7 8.326 7.483 -6.886 1.00 31.53 N ATOM 110 CA GLU A 7 8.538 8.404 -7.996 1.00 2.15 C ATOM 111 C GLU A 7 8.622 9.844 -7.498 1.00 40.43 C ATOM 112 O GLU A 7 9.221 10.702 -8.147 1.00 53.43 O ATOM 113 CB GLU A 7 7.410 8.272 -9.020 1.00 71.35 C ATOM 114 CG GLU A 7 7.122 6.836 -9.427 1.00 11.14 C ATOM 115 CD GLU A 7 6.324 6.743 -10.713 1.00 21.53 C ATOM 116 OE1 GLU A 7 5.124 7.087 -10.693 1.00 71.54 O ATOM 117 OE2 GLU A 7 6.901 6.325 -11.739 1.00 11.21 O ATOM 0 H GLU A 7 7.351 7.226 -6.731 1.00 31.53 H new ATOM 0 HA GLU A 7 9.483 8.146 -8.473 1.00 2.15 H new ATOM 0 HB2 GLU A 7 6.503 8.713 -8.607 1.00 71.35 H new ATOM 0 HB3 GLU A 7 7.668 8.848 -9.909 1.00 71.35 H new ATOM 0 HG2 GLU A 7 8.064 6.301 -9.549 1.00 11.14 H new ATOM 0 HG3 GLU A 7 6.574 6.338 -8.627 1.00 11.14 H new ATOM 124 N ARG A 8 8.017 10.102 -6.343 1.00 62.52 N ATOM 125 CA ARG A 8 8.021 11.437 -5.759 1.00 45.43 C ATOM 126 C ARG A 8 9.444 11.887 -5.441 1.00 45.12 C ATOM 127 O ARG A 8 9.763 13.075 -5.512 1.00 61.45 O ATOM 128 CB ARG A 8 7.171 11.464 -4.488 1.00 54.33 C ATOM 129 CG ARG A 8 7.008 12.853 -3.893 1.00 42.53 C ATOM 130 CD ARG A 8 5.695 13.491 -4.318 1.00 14.23 C ATOM 131 NE ARG A 8 4.591 13.104 -3.443 1.00 54.15 N ATOM 132 CZ ARG A 8 3.314 13.337 -3.725 1.00 54.31 C ATOM 133 NH1 ARG A 8 2.981 13.952 -4.852 1.00 4.33 N ATOM 134 NH2 ARG A 8 2.366 12.955 -2.879 1.00 73.41 N ATOM 0 H ARG A 8 7.518 9.403 -5.793 1.00 62.52 H new ATOM 0 HA ARG A 8 7.594 12.126 -6.488 1.00 45.43 H new ATOM 0 HB2 ARG A 8 6.185 11.056 -4.712 1.00 54.33 H new ATOM 0 HB3 ARG A 8 7.625 10.810 -3.743 1.00 54.33 H new ATOM 0 HG2 ARG A 8 7.048 12.791 -2.806 1.00 42.53 H new ATOM 0 HG3 ARG A 8 7.839 13.484 -4.207 1.00 42.53 H new ATOM 0 HD2 ARG A 8 5.800 14.576 -4.311 1.00 14.23 H new ATOM 0 HD3 ARG A 8 5.465 13.199 -5.343 1.00 14.23 H new ATOM 0 HE ARG A 8 4.813 12.629 -2.568 1.00 54.15 H new ATOM 0 HH11 ARG A 8 3.706 14.248 -5.505 1.00 4.33 H new ATOM 0 HH12 ARG A 8 1.999 14.129 -5.065 1.00 4.33 H new ATOM 0 HH21 ARG A 8 2.617 12.482 -2.011 1.00 73.41 H new ATOM 0 HH22 ARG A 8 1.386 13.134 -3.097 1.00 73.41 H new ATOM 148 N THR A 9 10.297 10.930 -5.089 1.00 45.00 N ATOM 149 CA THR A 9 11.685 11.227 -4.758 1.00 64.02 C ATOM 150 C THR A 9 12.536 11.353 -6.017 1.00 53.31 C ATOM 151 O THR A 9 13.551 12.050 -6.024 1.00 52.32 O ATOM 152 CB THR A 9 12.291 10.140 -3.850 1.00 44.40 C ATOM 153 OG1 THR A 9 13.672 10.426 -3.599 1.00 31.22 O ATOM 154 CG2 THR A 9 12.160 8.766 -4.489 1.00 45.11 C ATOM 0 H THR A 9 10.051 9.942 -5.026 1.00 45.00 H new ATOM 0 HA THR A 9 11.686 12.178 -4.225 1.00 64.02 H new ATOM 0 HB THR A 9 11.744 10.138 -2.907 1.00 44.40 H new ATOM 0 HG1 THR A 9 13.869 11.348 -3.868 1.00 31.22 H new ATOM 0 HG21 THR A 9 12.595 8.015 -3.829 1.00 45.11 H new ATOM 0 HG22 THR A 9 11.106 8.539 -4.652 1.00 45.11 H new ATOM 0 HG23 THR A 9 12.685 8.757 -5.444 1.00 45.11 H new ATOM 162 N ILE A 10 12.115 10.676 -7.080 1.00 40.10 N ATOM 163 CA ILE A 10 12.838 10.715 -8.345 1.00 70.31 C ATOM 164 C ILE A 10 13.103 12.151 -8.783 1.00 51.12 C ATOM 165 O ILE A 10 14.224 12.504 -9.150 1.00 70.54 O ATOM 166 CB ILE A 10 12.064 9.985 -9.459 1.00 33.15 C ATOM 167 CG1 ILE A 10 12.055 8.477 -9.199 1.00 73.13 C ATOM 168 CG2 ILE A 10 12.676 10.291 -10.817 1.00 71.43 C ATOM 169 CD1 ILE A 10 13.431 7.850 -9.231 1.00 41.24 C ATOM 0 H ILE A 10 11.277 10.094 -7.090 1.00 40.10 H new ATOM 0 HA ILE A 10 13.788 10.207 -8.181 1.00 70.31 H new ATOM 0 HB ILE A 10 11.034 10.341 -9.459 1.00 33.15 H new ATOM 0 HG12 ILE A 10 11.601 8.287 -8.227 1.00 73.13 H new ATOM 0 HG13 ILE A 10 11.426 7.992 -9.945 1.00 73.13 H new ATOM 0 HG21 ILE A 10 12.118 9.768 -11.594 1.00 71.43 H new ATOM 0 HG22 ILE A 10 12.635 11.365 -11.001 1.00 71.43 H new ATOM 0 HG23 ILE A 10 13.714 9.960 -10.831 1.00 71.43 H new ATOM 0 HD11 ILE A 10 13.348 6.780 -9.039 1.00 41.24 H new ATOM 0 HD12 ILE A 10 13.880 8.009 -10.211 1.00 41.24 H new ATOM 0 HD13 ILE A 10 14.058 8.309 -8.466 1.00 41.24 H new ATOM 181 N LYS A 11 12.064 12.978 -8.740 1.00 53.05 N ATOM 182 CA LYS A 11 12.183 14.378 -9.130 1.00 11.13 C ATOM 183 C LYS A 11 13.200 15.102 -8.253 1.00 32.11 C ATOM 184 O LYS A 11 14.003 15.895 -8.744 1.00 44.11 O ATOM 185 CB LYS A 11 10.823 15.073 -9.032 1.00 41.52 C ATOM 186 CG LYS A 11 9.689 14.282 -9.659 1.00 73.51 C ATOM 187 CD LYS A 11 8.394 15.076 -9.671 1.00 13.23 C ATOM 188 CE LYS A 11 7.192 14.181 -9.932 1.00 65.35 C ATOM 189 NZ LYS A 11 5.971 14.970 -10.254 1.00 4.34 N ATOM 0 H LYS A 11 11.129 12.703 -8.439 1.00 53.05 H new ATOM 0 HA LYS A 11 12.529 14.414 -10.163 1.00 11.13 H new ATOM 0 HB2 LYS A 11 10.592 15.254 -7.982 1.00 41.52 H new ATOM 0 HB3 LYS A 11 10.887 16.047 -9.517 1.00 41.52 H new ATOM 0 HG2 LYS A 11 9.957 14.006 -10.679 1.00 73.51 H new ATOM 0 HG3 LYS A 11 9.543 13.354 -9.106 1.00 73.51 H new ATOM 0 HD2 LYS A 11 8.269 15.584 -8.715 1.00 13.23 H new ATOM 0 HD3 LYS A 11 8.447 15.848 -10.438 1.00 13.23 H new ATOM 0 HE2 LYS A 11 7.415 13.505 -10.757 1.00 65.35 H new ATOM 0 HE3 LYS A 11 7.003 13.562 -9.055 1.00 65.35 H new ATOM 0 HZ1 LYS A 11 5.175 14.323 -10.425 1.00 4.34 H new ATOM 0 HZ2 LYS A 11 5.742 15.597 -9.456 1.00 4.34 H new ATOM 0 HZ3 LYS A 11 6.142 15.542 -11.106 1.00 4.34 H new ATOM 203 N ILE A 12 13.160 14.823 -6.954 1.00 73.45 N ATOM 204 CA ILE A 12 14.080 15.445 -6.011 1.00 14.51 C ATOM 205 C ILE A 12 15.518 15.019 -6.283 1.00 2.04 C ATOM 206 O ILE A 12 16.391 15.854 -6.515 1.00 1.34 O ATOM 207 CB ILE A 12 13.718 15.093 -4.556 1.00 13.11 C ATOM 208 CG1 ILE A 12 12.292 15.549 -4.237 1.00 44.02 C ATOM 209 CG2 ILE A 12 14.711 15.729 -3.594 1.00 54.04 C ATOM 210 CD1 ILE A 12 11.855 15.222 -2.827 1.00 13.34 C ATOM 0 H ILE A 12 12.500 14.170 -6.531 1.00 73.45 H new ATOM 0 HA ILE A 12 13.991 16.523 -6.148 1.00 14.51 H new ATOM 0 HB ILE A 12 13.768 14.011 -4.437 1.00 13.11 H new ATOM 0 HG12 ILE A 12 12.221 16.626 -4.390 1.00 44.02 H new ATOM 0 HG13 ILE A 12 11.603 15.080 -4.940 1.00 44.02 H new ATOM 0 HG21 ILE A 12 14.442 15.471 -2.570 1.00 54.04 H new ATOM 0 HG22 ILE A 12 15.714 15.360 -3.809 1.00 54.04 H new ATOM 0 HG23 ILE A 12 14.690 16.812 -3.713 1.00 54.04 H new ATOM 0 HD11 ILE A 12 10.835 15.574 -2.671 1.00 13.34 H new ATOM 0 HD12 ILE A 12 11.894 14.143 -2.675 1.00 13.34 H new ATOM 0 HD13 ILE A 12 12.521 15.713 -2.117 1.00 13.34 H new ATOM 222 N GLY A 13 15.758 13.711 -6.254 1.00 12.42 N ATOM 223 CA GLY A 13 17.092 13.196 -6.500 1.00 52.13 C ATOM 224 C GLY A 13 17.669 13.685 -7.814 1.00 12.42 C ATOM 225 O GLY A 13 18.881 13.858 -7.943 1.00 1.15 O ATOM 0 H GLY A 13 15.052 12.999 -6.065 1.00 12.42 H new ATOM 0 HA2 GLY A 13 17.750 13.495 -5.684 1.00 52.13 H new ATOM 0 HA3 GLY A 13 17.063 12.106 -6.503 1.00 52.13 H new ATOM 229 N LYS A 14 16.799 13.908 -8.794 1.00 5.44 N ATOM 230 CA LYS A 14 17.228 14.380 -10.105 1.00 2.31 C ATOM 231 C LYS A 14 17.342 15.901 -10.125 1.00 55.34 C ATOM 232 O LYS A 14 18.073 16.468 -10.938 1.00 22.14 O ATOM 233 CB LYS A 14 16.246 13.917 -11.183 1.00 34.12 C ATOM 234 CG LYS A 14 16.142 12.406 -11.303 1.00 2.24 C ATOM 235 CD LYS A 14 16.709 11.911 -12.623 1.00 10.52 C ATOM 236 CE LYS A 14 16.184 10.527 -12.971 1.00 13.20 C ATOM 237 NZ LYS A 14 17.271 9.622 -13.436 1.00 40.22 N ATOM 0 H LYS A 14 15.792 13.769 -8.705 1.00 5.44 H new ATOM 0 HA LYS A 14 18.211 13.957 -10.312 1.00 2.31 H new ATOM 0 HB2 LYS A 14 15.259 14.324 -10.963 1.00 34.12 H new ATOM 0 HB3 LYS A 14 16.554 14.329 -12.144 1.00 34.12 H new ATOM 0 HG2 LYS A 14 16.677 11.937 -10.477 1.00 2.24 H new ATOM 0 HG3 LYS A 14 15.098 12.104 -11.218 1.00 2.24 H new ATOM 0 HD2 LYS A 14 16.448 12.610 -13.417 1.00 10.52 H new ATOM 0 HD3 LYS A 14 17.797 11.885 -12.566 1.00 10.52 H new ATOM 0 HE2 LYS A 14 15.699 10.092 -12.097 1.00 13.20 H new ATOM 0 HE3 LYS A 14 15.425 10.612 -13.748 1.00 13.20 H new ATOM 0 HZ1 LYS A 14 17.061 8.647 -13.141 1.00 40.22 H new ATOM 0 HZ2 LYS A 14 17.337 9.663 -14.473 1.00 40.22 H new ATOM 0 HZ3 LYS A 14 18.175 9.923 -13.019 1.00 40.22 H new ATOM 251 N TYR A 15 16.615 16.556 -9.227 1.00 54.20 N ATOM 252 CA TYR A 15 16.633 18.012 -9.143 1.00 22.30 C ATOM 253 C TYR A 15 17.863 18.498 -8.382 1.00 33.25 C ATOM 254 O TYR A 15 18.515 19.461 -8.785 1.00 24.12 O ATOM 255 CB TYR A 15 15.363 18.520 -8.460 1.00 55.30 C ATOM 256 CG TYR A 15 15.222 20.026 -8.487 1.00 33.51 C ATOM 257 CD1 TYR A 15 15.854 20.819 -7.538 1.00 22.04 C ATOM 258 CD2 TYR A 15 14.456 20.654 -9.461 1.00 15.24 C ATOM 259 CE1 TYR A 15 15.728 22.195 -7.558 1.00 31.43 C ATOM 260 CE2 TYR A 15 14.325 22.029 -9.489 1.00 52.13 C ATOM 261 CZ TYR A 15 14.963 22.795 -8.536 1.00 34.23 C ATOM 262 OH TYR A 15 14.834 24.165 -8.560 1.00 73.30 O ATOM 0 H TYR A 15 16.006 16.102 -8.547 1.00 54.20 H new ATOM 0 HA TYR A 15 16.675 18.409 -10.157 1.00 22.30 H new ATOM 0 HB2 TYR A 15 14.496 18.073 -8.946 1.00 55.30 H new ATOM 0 HB3 TYR A 15 15.357 18.181 -7.424 1.00 55.30 H new ATOM 0 HD1 TYR A 15 16.454 20.352 -6.771 1.00 22.04 H new ATOM 0 HD2 TYR A 15 13.955 20.057 -10.209 1.00 15.24 H new ATOM 0 HE1 TYR A 15 16.226 22.797 -6.812 1.00 31.43 H new ATOM 0 HE2 TYR A 15 13.726 22.502 -10.253 1.00 52.13 H new ATOM 0 HH TYR A 15 13.885 24.403 -8.615 1.00 73.30 H new ATOM 272 N ILE A 16 18.172 17.824 -7.279 1.00 62.10 N ATOM 273 CA ILE A 16 19.324 18.185 -6.462 1.00 13.04 C ATOM 274 C ILE A 16 20.585 18.304 -7.310 1.00 71.05 C ATOM 275 O ILE A 16 21.445 19.146 -7.050 1.00 34.32 O ATOM 276 CB ILE A 16 19.566 17.154 -5.344 1.00 22.32 C ATOM 277 CG1 ILE A 16 20.074 15.837 -5.936 1.00 0.42 C ATOM 278 CG2 ILE A 16 18.290 16.925 -4.548 1.00 11.31 C ATOM 279 CD1 ILE A 16 21.582 15.756 -6.024 1.00 10.41 C ATOM 0 H ILE A 16 17.641 17.026 -6.931 1.00 62.10 H new ATOM 0 HA ILE A 16 19.100 19.152 -6.012 1.00 13.04 H new ATOM 0 HB ILE A 16 20.327 17.545 -4.669 1.00 22.32 H new ATOM 0 HG12 ILE A 16 19.709 15.010 -5.328 1.00 0.42 H new ATOM 0 HG13 ILE A 16 19.653 15.710 -6.933 1.00 0.42 H new ATOM 0 HG21 ILE A 16 18.478 16.194 -3.762 1.00 11.31 H new ATOM 0 HG22 ILE A 16 17.967 17.865 -4.100 1.00 11.31 H new ATOM 0 HG23 ILE A 16 17.509 16.552 -5.211 1.00 11.31 H new ATOM 0 HD11 ILE A 16 21.870 14.796 -6.453 1.00 10.41 H new ATOM 0 HD12 ILE A 16 21.953 16.562 -6.657 1.00 10.41 H new ATOM 0 HD13 ILE A 16 22.010 15.851 -5.026 1.00 10.41 H new ATOM 291 N VAL A 17 20.688 17.456 -8.329 1.00 41.32 N ATOM 292 CA VAL A 17 21.843 17.468 -9.219 1.00 72.23 C ATOM 293 C VAL A 17 21.667 18.492 -10.334 1.00 51.44 C ATOM 294 O VAL A 17 22.643 19.031 -10.855 1.00 1.12 O ATOM 295 CB VAL A 17 22.083 16.081 -9.845 1.00 24.14 C ATOM 296 CG1 VAL A 17 20.926 15.697 -10.754 1.00 43.34 C ATOM 297 CG2 VAL A 17 23.400 16.061 -10.606 1.00 2.40 C ATOM 0 H VAL A 17 19.986 16.753 -8.558 1.00 41.32 H new ATOM 0 HA VAL A 17 22.707 17.740 -8.613 1.00 72.23 H new ATOM 0 HB VAL A 17 22.142 15.345 -9.043 1.00 24.14 H new ATOM 0 HG11 VAL A 17 21.114 14.714 -11.187 1.00 43.34 H new ATOM 0 HG12 VAL A 17 20.003 15.668 -10.175 1.00 43.34 H new ATOM 0 HG13 VAL A 17 20.831 16.433 -11.552 1.00 43.34 H new ATOM 0 HG21 VAL A 17 23.554 15.074 -11.042 1.00 2.40 H new ATOM 0 HG22 VAL A 17 23.373 16.808 -11.400 1.00 2.40 H new ATOM 0 HG23 VAL A 17 24.219 16.287 -9.923 1.00 2.40 H new ATOM 307 N GLU A 18 20.415 18.757 -10.696 1.00 21.42 N ATOM 308 CA GLU A 18 20.112 19.717 -11.750 1.00 73.03 C ATOM 309 C GLU A 18 20.494 21.132 -11.324 1.00 63.54 C ATOM 310 O GLU A 18 20.928 21.943 -12.143 1.00 2.34 O ATOM 311 CB GLU A 18 18.624 19.664 -12.106 1.00 45.51 C ATOM 312 CG GLU A 18 18.360 19.511 -13.594 1.00 53.04 C ATOM 313 CD GLU A 18 18.879 20.684 -14.403 1.00 72.12 C ATOM 314 OE1 GLU A 18 18.132 21.673 -14.560 1.00 32.41 O ATOM 315 OE2 GLU A 18 20.031 20.613 -14.880 1.00 12.44 O ATOM 0 H GLU A 18 19.595 18.320 -10.275 1.00 21.42 H new ATOM 0 HA GLU A 18 20.699 19.450 -12.629 1.00 73.03 H new ATOM 0 HB2 GLU A 18 18.162 18.831 -11.576 1.00 45.51 H new ATOM 0 HB3 GLU A 18 18.141 20.575 -11.752 1.00 45.51 H new ATOM 0 HG2 GLU A 18 18.829 18.594 -13.950 1.00 53.04 H new ATOM 0 HG3 GLU A 18 17.288 19.406 -13.760 1.00 53.04 H new ATOM 322 N THR A 19 20.330 21.421 -10.037 1.00 71.32 N ATOM 323 CA THR A 19 20.656 22.736 -9.502 1.00 13.43 C ATOM 324 C THR A 19 21.886 22.675 -8.604 1.00 43.42 C ATOM 325 O THR A 19 22.526 23.693 -8.340 1.00 43.51 O ATOM 326 CB THR A 19 19.479 23.324 -8.701 1.00 13.15 C ATOM 327 OG1 THR A 19 19.360 22.654 -7.441 1.00 21.51 O ATOM 328 CG2 THR A 19 18.177 23.191 -9.476 1.00 14.51 C ATOM 0 H THR A 19 19.973 20.761 -9.346 1.00 71.32 H new ATOM 0 HA THR A 19 20.864 23.381 -10.355 1.00 13.43 H new ATOM 0 HB THR A 19 19.677 24.383 -8.532 1.00 13.15 H new ATOM 0 HG1 THR A 19 18.419 22.435 -7.275 1.00 21.51 H new ATOM 0 HG21 THR A 19 17.360 23.613 -8.890 1.00 14.51 H new ATOM 0 HG22 THR A 19 18.260 23.727 -10.422 1.00 14.51 H new ATOM 0 HG23 THR A 19 17.976 22.138 -9.672 1.00 14.51 H new ATOM 336 N LYS A 20 22.214 21.475 -8.138 1.00 13.13 N ATOM 337 CA LYS A 20 23.370 21.280 -7.271 1.00 34.23 C ATOM 338 C LYS A 20 23.174 21.990 -5.935 1.00 0.00 C ATOM 339 O LYS A 20 24.138 22.276 -5.225 1.00 23.12 O ATOM 340 CB LYS A 20 24.638 21.796 -7.954 1.00 22.43 C ATOM 341 CG LYS A 20 24.802 21.305 -9.382 1.00 4.41 C ATOM 342 CD LYS A 20 25.042 19.806 -9.433 1.00 33.34 C ATOM 343 CE LYS A 20 26.337 19.424 -8.732 1.00 34.01 C ATOM 344 NZ LYS A 20 27.173 18.519 -9.567 1.00 62.43 N ATOM 0 H LYS A 20 21.695 20.622 -8.346 1.00 13.13 H new ATOM 0 HA LYS A 20 23.476 20.212 -7.082 1.00 34.23 H new ATOM 0 HB2 LYS A 20 24.624 22.886 -7.953 1.00 22.43 H new ATOM 0 HB3 LYS A 20 25.506 21.488 -7.371 1.00 22.43 H new ATOM 0 HG2 LYS A 20 23.909 21.551 -9.957 1.00 4.41 H new ATOM 0 HG3 LYS A 20 25.637 21.824 -9.852 1.00 4.41 H new ATOM 0 HD2 LYS A 20 24.206 19.287 -8.964 1.00 33.34 H new ATOM 0 HD3 LYS A 20 25.079 19.478 -10.472 1.00 33.34 H new ATOM 0 HE2 LYS A 20 26.902 20.326 -8.496 1.00 34.01 H new ATOM 0 HE3 LYS A 20 26.107 18.935 -7.785 1.00 34.01 H new ATOM 0 HZ1 LYS A 20 28.046 18.282 -9.054 1.00 62.43 H new ATOM 0 HZ2 LYS A 20 26.644 17.647 -9.771 1.00 62.43 H new ATOM 0 HZ3 LYS A 20 27.414 18.995 -10.460 1.00 62.43 H new ATOM 358 N LYS A 21 21.920 22.271 -5.598 1.00 0.23 N ATOM 359 CA LYS A 21 21.597 22.945 -4.346 1.00 13.41 C ATOM 360 C LYS A 21 21.442 21.939 -3.210 1.00 44.10 C ATOM 361 O LYS A 21 21.650 20.740 -3.396 1.00 61.43 O ATOM 362 CB LYS A 21 20.310 23.759 -4.499 1.00 12.43 C ATOM 363 CG LYS A 21 20.551 25.220 -4.837 1.00 13.55 C ATOM 364 CD LYS A 21 20.132 25.540 -6.262 1.00 35.33 C ATOM 365 CE LYS A 21 19.478 26.910 -6.357 1.00 34.33 C ATOM 366 NZ LYS A 21 20.447 28.007 -6.085 1.00 41.13 N ATOM 0 H LYS A 21 21.110 22.042 -6.175 1.00 0.23 H new ATOM 0 HA LYS A 21 22.419 23.618 -4.102 1.00 13.41 H new ATOM 0 HB2 LYS A 21 19.697 23.310 -5.281 1.00 12.43 H new ATOM 0 HB3 LYS A 21 19.739 23.698 -3.572 1.00 12.43 H new ATOM 0 HG2 LYS A 21 19.996 25.851 -4.143 1.00 13.55 H new ATOM 0 HG3 LYS A 21 21.607 25.455 -4.706 1.00 13.55 H new ATOM 0 HD2 LYS A 21 21.004 25.506 -6.915 1.00 35.33 H new ATOM 0 HD3 LYS A 21 19.438 24.779 -6.618 1.00 35.33 H new ATOM 0 HE2 LYS A 21 19.051 27.041 -7.352 1.00 34.33 H new ATOM 0 HE3 LYS A 21 18.654 26.969 -5.646 1.00 34.33 H new ATOM 0 HZ1 LYS A 21 19.963 28.924 -6.159 1.00 41.13 H new ATOM 0 HZ2 LYS A 21 20.835 27.897 -5.127 1.00 41.13 H new ATOM 0 HZ3 LYS A 21 21.221 27.967 -6.779 1.00 41.13 H new ATOM 380 N THR A 22 21.075 22.434 -2.032 1.00 42.52 N ATOM 381 CA THR A 22 20.893 21.579 -0.867 1.00 34.14 C ATOM 382 C THR A 22 19.440 21.137 -0.731 1.00 60.54 C ATOM 383 O THR A 22 18.547 21.704 -1.360 1.00 15.43 O ATOM 384 CB THR A 22 21.322 22.294 0.428 1.00 0.22 C ATOM 385 OG1 THR A 22 20.343 23.272 0.795 1.00 12.35 O ATOM 386 CG2 THR A 22 22.676 22.966 0.252 1.00 74.30 C ATOM 0 H THR A 22 20.898 23.424 -1.860 1.00 42.52 H new ATOM 0 HA THR A 22 21.525 20.703 -1.017 1.00 34.14 H new ATOM 0 HB THR A 22 21.404 21.548 1.219 1.00 0.22 H new ATOM 0 HG1 THR A 22 20.622 23.721 1.620 1.00 12.35 H new ATOM 0 HG21 THR A 22 22.958 23.464 1.179 1.00 74.30 H new ATOM 0 HG22 THR A 22 23.425 22.215 0.001 1.00 74.30 H new ATOM 0 HG23 THR A 22 22.616 23.701 -0.551 1.00 74.30 H new ATOM 394 N VAL A 23 19.210 20.119 0.093 1.00 42.40 N ATOM 395 CA VAL A 23 17.865 19.602 0.312 1.00 31.21 C ATOM 396 C VAL A 23 16.913 20.711 0.746 1.00 42.24 C ATOM 397 O VAL A 23 15.709 20.640 0.502 1.00 34.21 O ATOM 398 CB VAL A 23 17.858 18.489 1.377 1.00 1.33 C ATOM 399 CG1 VAL A 23 18.438 17.203 0.810 1.00 70.23 C ATOM 400 CG2 VAL A 23 18.628 18.931 2.613 1.00 35.11 C ATOM 0 H VAL A 23 19.938 19.636 0.620 1.00 42.40 H new ATOM 0 HA VAL A 23 17.527 19.188 -0.638 1.00 31.21 H new ATOM 0 HB VAL A 23 16.826 18.296 1.669 1.00 1.33 H new ATOM 0 HG11 VAL A 23 18.425 16.429 1.577 1.00 70.23 H new ATOM 0 HG12 VAL A 23 17.841 16.880 -0.043 1.00 70.23 H new ATOM 0 HG13 VAL A 23 19.465 17.378 0.489 1.00 70.23 H new ATOM 0 HG21 VAL A 23 18.613 18.133 3.355 1.00 35.11 H new ATOM 0 HG22 VAL A 23 19.659 19.153 2.339 1.00 35.11 H new ATOM 0 HG23 VAL A 23 18.164 19.824 3.031 1.00 35.11 H new ATOM 410 N ARG A 24 17.462 21.736 1.389 1.00 42.30 N ATOM 411 CA ARG A 24 16.662 22.861 1.857 1.00 11.44 C ATOM 412 C ARG A 24 16.076 23.638 0.682 1.00 12.31 C ATOM 413 O ARG A 24 15.030 24.276 0.805 1.00 1.24 O ATOM 414 CB ARG A 24 17.511 23.792 2.725 1.00 14.14 C ATOM 415 CG ARG A 24 16.800 25.078 3.115 1.00 33.34 C ATOM 416 CD ARG A 24 17.363 25.657 4.403 1.00 4.43 C ATOM 417 NE ARG A 24 18.563 26.456 4.165 1.00 15.31 N ATOM 418 CZ ARG A 24 18.540 27.680 3.648 1.00 32.15 C ATOM 419 NH1 ARG A 24 17.385 28.242 3.318 1.00 4.21 N ATOM 420 NH2 ARG A 24 19.673 28.344 3.462 1.00 64.32 N ATOM 0 H ARG A 24 18.458 21.811 1.598 1.00 42.30 H new ATOM 0 HA ARG A 24 15.841 22.466 2.455 1.00 11.44 H new ATOM 0 HB2 ARG A 24 17.807 23.262 3.630 1.00 14.14 H new ATOM 0 HB3 ARG A 24 18.426 24.041 2.188 1.00 14.14 H new ATOM 0 HG2 ARG A 24 16.900 25.808 2.312 1.00 33.34 H new ATOM 0 HG3 ARG A 24 15.735 24.883 3.238 1.00 33.34 H new ATOM 0 HD2 ARG A 24 16.605 26.275 4.884 1.00 4.43 H new ATOM 0 HD3 ARG A 24 17.598 24.846 5.093 1.00 4.43 H new ATOM 0 HE ARG A 24 19.467 26.052 4.409 1.00 15.31 H new ATOM 0 HH11 ARG A 24 16.512 27.735 3.461 1.00 4.21 H new ATOM 0 HH12 ARG A 24 17.370 29.182 2.921 1.00 4.21 H new ATOM 0 HH21 ARG A 24 20.563 27.915 3.716 1.00 64.32 H new ATOM 0 HH22 ARG A 24 19.654 29.283 3.065 1.00 64.32 H new ATOM 434 N VAL A 25 16.757 23.580 -0.458 1.00 4.42 N ATOM 435 CA VAL A 25 16.305 24.278 -1.655 1.00 74.25 C ATOM 436 C VAL A 25 15.279 23.448 -2.420 1.00 2.11 C ATOM 437 O VAL A 25 14.405 23.992 -3.096 1.00 2.15 O ATOM 438 CB VAL A 25 17.482 24.608 -2.592 1.00 23.04 C ATOM 439 CG1 VAL A 25 17.024 25.506 -3.731 1.00 33.43 C ATOM 440 CG2 VAL A 25 18.616 25.258 -1.812 1.00 55.35 C ATOM 0 H VAL A 25 17.624 23.056 -0.577 1.00 4.42 H new ATOM 0 HA VAL A 25 15.843 25.208 -1.323 1.00 74.25 H new ATOM 0 HB VAL A 25 17.853 23.678 -3.023 1.00 23.04 H new ATOM 0 HG11 VAL A 25 17.870 25.728 -4.382 1.00 33.43 H new ATOM 0 HG12 VAL A 25 16.248 24.999 -4.304 1.00 33.43 H new ATOM 0 HG13 VAL A 25 16.626 26.435 -3.324 1.00 33.43 H new ATOM 0 HG21 VAL A 25 19.440 25.485 -2.489 1.00 55.35 H new ATOM 0 HG22 VAL A 25 18.260 26.180 -1.352 1.00 55.35 H new ATOM 0 HG23 VAL A 25 18.962 24.575 -1.036 1.00 55.35 H new ATOM 450 N ILE A 26 15.392 22.129 -2.308 1.00 71.12 N ATOM 451 CA ILE A 26 14.473 21.224 -2.988 1.00 23.03 C ATOM 452 C ILE A 26 13.190 21.038 -2.185 1.00 41.30 C ATOM 453 O ILE A 26 12.114 20.845 -2.751 1.00 5.42 O ATOM 454 CB ILE A 26 15.117 19.846 -3.231 1.00 42.31 C ATOM 455 CG1 ILE A 26 16.280 19.970 -4.218 1.00 73.42 C ATOM 456 CG2 ILE A 26 14.080 18.860 -3.747 1.00 14.33 C ATOM 457 CD1 ILE A 26 17.635 20.044 -3.550 1.00 33.22 C ATOM 0 H ILE A 26 16.110 21.663 -1.753 1.00 71.12 H new ATOM 0 HA ILE A 26 14.235 21.680 -3.949 1.00 23.03 H new ATOM 0 HB ILE A 26 15.506 19.471 -2.284 1.00 42.31 H new ATOM 0 HG12 ILE A 26 16.264 19.116 -4.895 1.00 73.42 H new ATOM 0 HG13 ILE A 26 16.135 20.862 -4.827 1.00 73.42 H new ATOM 0 HG21 ILE A 26 14.551 17.891 -3.914 1.00 14.33 H new ATOM 0 HG22 ILE A 26 13.282 18.754 -3.013 1.00 14.33 H new ATOM 0 HG23 ILE A 26 13.664 19.227 -4.685 1.00 14.33 H new ATOM 0 HD11 ILE A 26 18.411 20.131 -4.310 1.00 33.22 H new ATOM 0 HD12 ILE A 26 17.670 20.914 -2.894 1.00 33.22 H new ATOM 0 HD13 ILE A 26 17.801 19.141 -2.963 1.00 33.22 H new ATOM 469 N ALA A 27 13.312 21.100 -0.863 1.00 75.30 N ATOM 470 CA ALA A 27 12.161 20.942 0.018 1.00 50.31 C ATOM 471 C ALA A 27 11.212 22.130 -0.101 1.00 1.23 C ATOM 472 O ALA A 27 9.996 21.960 -0.188 1.00 12.54 O ATOM 473 CB ALA A 27 12.619 20.772 1.459 1.00 71.02 C ATOM 0 H ALA A 27 14.196 21.258 -0.379 1.00 75.30 H new ATOM 0 HA ALA A 27 11.620 20.046 -0.288 1.00 50.31 H new ATOM 0 HB1 ALA A 27 11.749 20.655 2.106 1.00 71.02 H new ATOM 0 HB2 ALA A 27 13.251 19.888 1.538 1.00 71.02 H new ATOM 0 HB3 ALA A 27 13.185 21.651 1.767 1.00 71.02 H new ATOM 479 N LYS A 28 11.776 23.334 -0.103 1.00 75.51 N ATOM 480 CA LYS A 28 10.980 24.551 -0.211 1.00 65.14 C ATOM 481 C LYS A 28 10.237 24.599 -1.542 1.00 60.45 C ATOM 482 O LYS A 28 9.148 25.163 -1.635 1.00 13.33 O ATOM 483 CB LYS A 28 11.876 25.784 -0.071 1.00 62.21 C ATOM 484 CG LYS A 28 13.041 25.803 -1.046 1.00 10.53 C ATOM 485 CD LYS A 28 12.650 26.440 -2.369 1.00 2.42 C ATOM 486 CE LYS A 28 13.238 27.836 -2.511 1.00 0.03 C ATOM 487 NZ LYS A 28 14.369 27.866 -3.479 1.00 72.22 N ATOM 0 H LYS A 28 12.781 23.492 -0.031 1.00 75.51 H new ATOM 0 HA LYS A 28 10.246 24.548 0.595 1.00 65.14 H new ATOM 0 HB2 LYS A 28 11.273 26.680 -0.221 1.00 62.21 H new ATOM 0 HB3 LYS A 28 12.264 25.827 0.947 1.00 62.21 H new ATOM 0 HG2 LYS A 28 13.874 26.353 -0.608 1.00 10.53 H new ATOM 0 HG3 LYS A 28 13.388 24.784 -1.220 1.00 10.53 H new ATOM 0 HD2 LYS A 28 12.995 25.813 -3.192 1.00 2.42 H new ATOM 0 HD3 LYS A 28 11.564 26.492 -2.442 1.00 2.42 H new ATOM 0 HE2 LYS A 28 12.461 28.526 -2.840 1.00 0.03 H new ATOM 0 HE3 LYS A 28 13.584 28.185 -1.538 1.00 0.03 H new ATOM 0 HZ1 LYS A 28 15.227 28.205 -3.000 1.00 72.22 H new ATOM 0 HZ2 LYS A 28 14.534 26.908 -3.849 1.00 72.22 H new ATOM 0 HZ3 LYS A 28 14.136 28.506 -4.265 1.00 72.22 H new ATOM 501 N GLU A 29 10.833 24.001 -2.570 1.00 12.12 N ATOM 502 CA GLU A 29 10.225 23.976 -3.895 1.00 61.21 C ATOM 503 C GLU A 29 9.027 23.032 -3.926 1.00 73.32 C ATOM 504 O GLU A 29 8.002 23.331 -4.539 1.00 13.50 O ATOM 505 CB GLU A 29 11.253 23.547 -4.944 1.00 25.01 C ATOM 506 CG GLU A 29 12.206 24.658 -5.353 1.00 13.34 C ATOM 507 CD GLU A 29 12.242 24.873 -6.853 1.00 54.22 C ATOM 508 OE1 GLU A 29 12.332 23.873 -7.595 1.00 35.55 O ATOM 509 OE2 GLU A 29 12.179 26.043 -7.286 1.00 5.21 O ATOM 0 H GLU A 29 11.735 23.528 -2.510 1.00 12.12 H new ATOM 0 HA GLU A 29 9.878 24.983 -4.127 1.00 61.21 H new ATOM 0 HB2 GLU A 29 11.831 22.710 -4.553 1.00 25.01 H new ATOM 0 HB3 GLU A 29 10.728 23.186 -5.829 1.00 25.01 H new ATOM 0 HG2 GLU A 29 11.908 25.585 -4.864 1.00 13.34 H new ATOM 0 HG3 GLU A 29 13.209 24.419 -5.000 1.00 13.34 H new ATOM 516 N PHE A 30 9.164 21.889 -3.261 1.00 54.15 N ATOM 517 CA PHE A 30 8.094 20.899 -3.214 1.00 13.42 C ATOM 518 C PHE A 30 7.022 21.305 -2.206 1.00 40.22 C ATOM 519 O PHE A 30 5.870 20.886 -2.307 1.00 14.35 O ATOM 520 CB PHE A 30 8.658 19.525 -2.850 1.00 32.44 C ATOM 521 CG PHE A 30 9.276 18.803 -4.013 1.00 1.02 C ATOM 522 CD1 PHE A 30 10.302 19.385 -4.740 1.00 30.10 C ATOM 523 CD2 PHE A 30 8.831 17.543 -4.379 1.00 41.14 C ATOM 524 CE1 PHE A 30 10.874 18.723 -5.811 1.00 15.53 C ATOM 525 CE2 PHE A 30 9.399 16.877 -5.449 1.00 20.22 C ATOM 526 CZ PHE A 30 10.421 17.468 -6.166 1.00 54.11 C ATOM 0 H PHE A 30 10.005 21.626 -2.748 1.00 54.15 H new ATOM 0 HA PHE A 30 7.637 20.846 -4.202 1.00 13.42 H new ATOM 0 HB2 PHE A 30 9.407 19.644 -2.067 1.00 32.44 H new ATOM 0 HB3 PHE A 30 7.858 18.911 -2.435 1.00 32.44 H new ATOM 0 HD1 PHE A 30 10.659 20.367 -4.467 1.00 30.10 H new ATOM 0 HD2 PHE A 30 8.032 17.076 -3.822 1.00 41.14 H new ATOM 0 HE1 PHE A 30 11.674 19.187 -6.369 1.00 15.53 H new ATOM 0 HE2 PHE A 30 9.044 15.895 -5.724 1.00 20.22 H new ATOM 0 HZ PHE A 30 10.865 16.949 -7.003 1.00 54.11 H new ATOM 536 N GLY A 31 7.412 22.124 -1.234 1.00 31.02 N ATOM 537 CA GLY A 31 6.474 22.573 -0.221 1.00 62.51 C ATOM 538 C GLY A 31 6.568 21.762 1.056 1.00 23.31 C ATOM 539 O GLY A 31 5.645 21.763 1.870 1.00 32.52 O ATOM 0 H GLY A 31 8.360 22.485 -1.130 1.00 31.02 H new ATOM 0 HA2 GLY A 31 6.662 23.623 0.004 1.00 62.51 H new ATOM 0 HA3 GLY A 31 5.460 22.508 -0.615 1.00 62.51 H new ATOM 543 N VAL A 32 7.687 21.066 1.232 1.00 30.44 N ATOM 544 CA VAL A 32 7.898 20.246 2.419 1.00 24.14 C ATOM 545 C VAL A 32 9.212 20.602 3.107 1.00 53.43 C ATOM 546 O VAL A 32 9.975 21.434 2.616 1.00 1.23 O ATOM 547 CB VAL A 32 7.904 18.745 2.072 1.00 45.54 C ATOM 548 CG1 VAL A 32 6.535 18.306 1.577 1.00 52.31 C ATOM 549 CG2 VAL A 32 8.977 18.444 1.036 1.00 74.45 C ATOM 0 H VAL A 32 8.461 21.054 0.568 1.00 30.44 H new ATOM 0 HA VAL A 32 7.069 20.451 3.096 1.00 24.14 H new ATOM 0 HB VAL A 32 8.134 18.181 2.976 1.00 45.54 H new ATOM 0 HG11 VAL A 32 6.559 17.243 1.337 1.00 52.31 H new ATOM 0 HG12 VAL A 32 5.792 18.486 2.354 1.00 52.31 H new ATOM 0 HG13 VAL A 32 6.271 18.874 0.685 1.00 52.31 H new ATOM 0 HG21 VAL A 32 8.968 17.380 0.802 1.00 74.45 H new ATOM 0 HG22 VAL A 32 8.779 19.017 0.130 1.00 74.45 H new ATOM 0 HG23 VAL A 32 9.954 18.720 1.433 1.00 74.45 H new ATOM 559 N SER A 33 9.469 19.967 4.245 1.00 32.15 N ATOM 560 CA SER A 33 10.689 20.219 5.003 1.00 41.11 C ATOM 561 C SER A 33 11.808 19.281 4.559 1.00 53.30 C ATOM 562 O SER A 33 11.637 18.486 3.635 1.00 63.12 O ATOM 563 CB SER A 33 10.429 20.048 6.501 1.00 43.21 C ATOM 564 OG SER A 33 10.021 18.724 6.800 1.00 42.51 O ATOM 0 H SER A 33 8.849 19.274 4.663 1.00 32.15 H new ATOM 0 HA SER A 33 11.001 21.246 4.811 1.00 41.11 H new ATOM 0 HB2 SER A 33 11.333 20.288 7.060 1.00 43.21 H new ATOM 0 HB3 SER A 33 9.660 20.750 6.822 1.00 43.21 H new ATOM 0 HG SER A 33 9.863 18.640 7.764 1.00 42.51 H new ATOM 570 N LYS A 34 12.953 19.381 5.225 1.00 64.45 N ATOM 571 CA LYS A 34 14.102 18.542 4.902 1.00 75.13 C ATOM 572 C LYS A 34 14.005 17.193 5.607 1.00 25.03 C ATOM 573 O LYS A 34 14.369 16.160 5.045 1.00 40.33 O ATOM 574 CB LYS A 34 15.401 19.246 5.299 1.00 61.22 C ATOM 575 CG LYS A 34 15.509 20.666 4.771 1.00 3.04 C ATOM 576 CD LYS A 34 15.140 21.686 5.836 1.00 63.23 C ATOM 577 CE LYS A 34 14.171 22.727 5.298 1.00 42.24 C ATOM 578 NZ LYS A 34 13.756 23.695 6.350 1.00 2.24 N ATOM 0 H LYS A 34 13.111 20.035 5.992 1.00 64.45 H new ATOM 0 HA LYS A 34 14.104 18.370 3.826 1.00 75.13 H new ATOM 0 HB2 LYS A 34 15.477 19.265 6.386 1.00 61.22 H new ATOM 0 HB3 LYS A 34 16.247 18.665 4.931 1.00 61.22 H new ATOM 0 HG2 LYS A 34 16.526 20.851 4.426 1.00 3.04 H new ATOM 0 HG3 LYS A 34 14.853 20.785 3.909 1.00 3.04 H new ATOM 0 HD2 LYS A 34 14.692 21.177 6.689 1.00 63.23 H new ATOM 0 HD3 LYS A 34 16.042 22.179 6.197 1.00 63.23 H new ATOM 0 HE2 LYS A 34 14.638 23.265 4.473 1.00 42.24 H new ATOM 0 HE3 LYS A 34 13.289 22.228 4.895 1.00 42.24 H new ATOM 0 HZ1 LYS A 34 13.096 24.388 5.943 1.00 2.24 H new ATOM 0 HZ2 LYS A 34 13.288 23.185 7.126 1.00 2.24 H new ATOM 0 HZ3 LYS A 34 14.594 24.189 6.717 1.00 2.24 H new ATOM 592 N SER A 35 13.513 17.210 6.842 1.00 75.44 N ATOM 593 CA SER A 35 13.371 15.988 7.625 1.00 71.34 C ATOM 594 C SER A 35 12.508 14.967 6.888 1.00 3.30 C ATOM 595 O SER A 35 12.658 13.759 7.075 1.00 53.21 O ATOM 596 CB SER A 35 12.757 16.300 8.990 1.00 14.45 C ATOM 597 OG SER A 35 12.382 17.664 9.081 1.00 0.10 O ATOM 0 H SER A 35 13.206 18.056 7.322 1.00 75.44 H new ATOM 0 HA SER A 35 14.364 15.562 7.770 1.00 71.34 H new ATOM 0 HB2 SER A 35 11.884 15.668 9.153 1.00 14.45 H new ATOM 0 HB3 SER A 35 13.473 16.063 9.777 1.00 14.45 H new ATOM 0 HG SER A 35 11.991 17.838 9.962 1.00 0.10 H new ATOM 603 N THR A 36 11.604 15.462 6.049 1.00 51.24 N ATOM 604 CA THR A 36 10.716 14.596 5.284 1.00 32.31 C ATOM 605 C THR A 36 11.363 14.165 3.973 1.00 72.31 C ATOM 606 O THR A 36 11.239 13.012 3.557 1.00 4.44 O ATOM 607 CB THR A 36 9.377 15.293 4.978 1.00 40.32 C ATOM 608 OG1 THR A 36 8.715 15.641 6.199 1.00 2.20 O ATOM 609 CG2 THR A 36 8.476 14.394 4.145 1.00 21.54 C ATOM 0 H THR A 36 11.467 16.459 5.882 1.00 51.24 H new ATOM 0 HA THR A 36 10.527 13.716 5.899 1.00 32.31 H new ATOM 0 HB THR A 36 9.587 16.198 4.408 1.00 40.32 H new ATOM 0 HG1 THR A 36 7.865 16.085 5.995 1.00 2.20 H new ATOM 0 HG21 THR A 36 7.537 14.908 3.942 1.00 21.54 H new ATOM 0 HG22 THR A 36 8.970 14.156 3.203 1.00 21.54 H new ATOM 0 HG23 THR A 36 8.275 13.473 4.692 1.00 21.54 H new ATOM 617 N VAL A 37 12.054 15.097 3.325 1.00 60.02 N ATOM 618 CA VAL A 37 12.723 14.813 2.061 1.00 73.42 C ATOM 619 C VAL A 37 13.910 13.878 2.265 1.00 34.21 C ATOM 620 O VAL A 37 13.953 12.781 1.707 1.00 44.14 O ATOM 621 CB VAL A 37 13.212 16.105 1.382 1.00 44.35 C ATOM 622 CG1 VAL A 37 13.920 15.786 0.074 1.00 44.33 C ATOM 623 CG2 VAL A 37 12.049 17.058 1.149 1.00 5.02 C ATOM 0 H VAL A 37 12.165 16.056 3.655 1.00 60.02 H new ATOM 0 HA VAL A 37 11.989 14.328 1.417 1.00 73.42 H new ATOM 0 HB VAL A 37 13.926 16.595 2.044 1.00 44.35 H new ATOM 0 HG11 VAL A 37 14.259 16.712 -0.392 1.00 44.33 H new ATOM 0 HG12 VAL A 37 14.778 15.144 0.272 1.00 44.33 H new ATOM 0 HG13 VAL A 37 13.231 15.273 -0.597 1.00 44.33 H new ATOM 0 HG21 VAL A 37 12.413 17.966 0.668 1.00 5.02 H new ATOM 0 HG22 VAL A 37 11.309 16.579 0.507 1.00 5.02 H new ATOM 0 HG23 VAL A 37 11.590 17.312 2.104 1.00 5.02 H new ATOM 633 N HIS A 38 14.871 14.319 3.070 1.00 64.41 N ATOM 634 CA HIS A 38 16.060 13.521 3.349 1.00 32.54 C ATOM 635 C HIS A 38 15.676 12.113 3.795 1.00 24.33 C ATOM 636 O HIS A 38 16.431 11.160 3.597 1.00 75.01 O ATOM 637 CB HIS A 38 16.911 14.195 4.426 1.00 62.23 C ATOM 638 CG HIS A 38 18.193 14.767 3.904 1.00 40.31 C ATOM 639 ND1 HIS A 38 18.738 15.943 4.374 1.00 44.41 N ATOM 640 CD2 HIS A 38 19.039 14.318 2.948 1.00 61.42 C ATOM 641 CE1 HIS A 38 19.864 16.193 3.728 1.00 14.33 C ATOM 642 NE2 HIS A 38 20.069 15.221 2.858 1.00 40.54 N ATOM 0 H HIS A 38 14.850 15.224 3.540 1.00 64.41 H new ATOM 0 HA HIS A 38 16.642 13.447 2.430 1.00 32.54 H new ATOM 0 HB2 HIS A 38 16.330 14.991 4.891 1.00 62.23 H new ATOM 0 HB3 HIS A 38 17.138 13.468 5.206 1.00 62.23 H new ATOM 0 HD1 HIS A 38 18.335 16.529 5.106 1.00 44.41 H new ATOM 0 HD2 HIS A 38 18.925 13.417 2.364 1.00 61.42 H new ATOM 0 HE1 HIS A 38 20.507 17.047 3.885 1.00 14.33 H new ATOM 650 N LYS A 39 14.500 11.989 4.400 1.00 75.34 N ATOM 651 CA LYS A 39 14.015 10.698 4.874 1.00 75.04 C ATOM 652 C LYS A 39 13.858 9.717 3.716 1.00 53.10 C ATOM 653 O LYS A 39 14.249 8.554 3.818 1.00 12.20 O ATOM 654 CB LYS A 39 12.677 10.867 5.597 1.00 12.24 C ATOM 655 CG LYS A 39 12.109 9.566 6.138 1.00 51.31 C ATOM 656 CD LYS A 39 11.226 9.805 7.351 1.00 21.34 C ATOM 657 CE LYS A 39 11.547 8.830 8.474 1.00 33.11 C ATOM 658 NZ LYS A 39 10.932 7.494 8.241 1.00 34.11 N ATOM 0 H LYS A 39 13.864 12.768 4.574 1.00 75.34 H new ATOM 0 HA LYS A 39 14.750 10.296 5.571 1.00 75.04 H new ATOM 0 HB2 LYS A 39 12.805 11.568 6.422 1.00 12.24 H new ATOM 0 HB3 LYS A 39 11.956 11.311 4.910 1.00 12.24 H new ATOM 0 HG2 LYS A 39 11.532 9.068 5.359 1.00 51.31 H new ATOM 0 HG3 LYS A 39 12.925 8.896 6.407 1.00 51.31 H new ATOM 0 HD2 LYS A 39 11.361 10.827 7.705 1.00 21.34 H new ATOM 0 HD3 LYS A 39 10.179 9.702 7.066 1.00 21.34 H new ATOM 0 HE2 LYS A 39 12.628 8.722 8.563 1.00 33.11 H new ATOM 0 HE3 LYS A 39 11.188 9.235 9.420 1.00 33.11 H new ATOM 0 HZ1 LYS A 39 11.174 6.858 9.028 1.00 34.11 H new ATOM 0 HZ2 LYS A 39 9.898 7.593 8.181 1.00 34.11 H new ATOM 0 HZ3 LYS A 39 11.294 7.096 7.351 1.00 34.11 H new ATOM 672 N ASP A 40 13.285 10.194 2.616 1.00 31.23 N ATOM 673 CA ASP A 40 13.079 9.359 1.438 1.00 0.32 C ATOM 674 C ASP A 40 14.316 9.366 0.545 1.00 74.31 C ATOM 675 O ASP A 40 14.644 8.360 -0.087 1.00 13.34 O ATOM 676 CB ASP A 40 11.862 9.845 0.649 1.00 1.12 C ATOM 677 CG ASP A 40 10.650 10.067 1.533 1.00 62.24 C ATOM 678 OD1 ASP A 40 10.344 9.178 2.355 1.00 61.32 O ATOM 679 OD2 ASP A 40 10.008 11.130 1.402 1.00 22.24 O ATOM 0 H ASP A 40 12.955 11.154 2.516 1.00 31.23 H new ATOM 0 HA ASP A 40 12.900 8.337 1.773 1.00 0.32 H new ATOM 0 HB2 ASP A 40 12.111 10.775 0.139 1.00 1.12 H new ATOM 0 HB3 ASP A 40 11.617 9.114 -0.122 1.00 1.12 H new ATOM 684 N LEU A 41 14.998 10.505 0.496 1.00 74.43 N ATOM 685 CA LEU A 41 16.198 10.643 -0.321 1.00 62.24 C ATOM 686 C LEU A 41 17.287 9.680 0.143 1.00 54.40 C ATOM 687 O LEU A 41 18.242 9.408 -0.585 1.00 22.04 O ATOM 688 CB LEU A 41 16.715 12.081 -0.264 1.00 41.41 C ATOM 689 CG LEU A 41 16.111 13.053 -1.279 1.00 32.41 C ATOM 690 CD1 LEU A 41 16.880 13.002 -2.590 1.00 33.41 C ATOM 691 CD2 LEU A 41 14.640 12.737 -1.508 1.00 51.24 C ATOM 0 H LEU A 41 14.740 11.346 1.012 1.00 74.43 H new ATOM 0 HA LEU A 41 15.937 10.398 -1.350 1.00 62.24 H new ATOM 0 HB2 LEU A 41 16.532 12.472 0.737 1.00 41.41 H new ATOM 0 HB3 LEU A 41 17.795 12.063 -0.407 1.00 41.41 H new ATOM 0 HG LEU A 41 16.187 14.063 -0.877 1.00 32.41 H new ATOM 0 HD11 LEU A 41 16.436 13.700 -3.300 1.00 33.41 H new ATOM 0 HD12 LEU A 41 17.920 13.277 -2.413 1.00 33.41 H new ATOM 0 HD13 LEU A 41 16.836 11.992 -2.998 1.00 33.41 H new ATOM 0 HD21 LEU A 41 14.226 13.438 -2.233 1.00 51.24 H new ATOM 0 HD22 LEU A 41 14.541 11.721 -1.889 1.00 51.24 H new ATOM 0 HD23 LEU A 41 14.098 12.826 -0.567 1.00 51.24 H new ATOM 703 N THR A 42 17.135 9.166 1.359 1.00 31.24 N ATOM 704 CA THR A 42 18.104 8.233 1.921 1.00 73.11 C ATOM 705 C THR A 42 17.469 6.872 2.182 1.00 32.13 C ATOM 706 O THR A 42 18.115 5.967 2.708 1.00 64.40 O ATOM 707 CB THR A 42 18.703 8.768 3.235 1.00 14.32 C ATOM 708 OG1 THR A 42 17.709 8.758 4.266 1.00 11.42 O ATOM 709 CG2 THR A 42 19.235 10.181 3.051 1.00 5.21 C ATOM 0 H THR A 42 16.350 9.380 1.974 1.00 31.24 H new ATOM 0 HA THR A 42 18.901 8.124 1.185 1.00 73.11 H new ATOM 0 HB THR A 42 19.531 8.119 3.522 1.00 14.32 H new ATOM 0 HG1 THR A 42 17.137 9.549 4.177 1.00 11.42 H new ATOM 0 HG21 THR A 42 19.653 10.538 3.992 1.00 5.21 H new ATOM 0 HG22 THR A 42 20.011 10.181 2.286 1.00 5.21 H new ATOM 0 HG23 THR A 42 18.422 10.839 2.743 1.00 5.21 H new ATOM 717 N GLU A 43 16.200 6.735 1.811 1.00 33.12 N ATOM 718 CA GLU A 43 15.478 5.483 2.007 1.00 63.25 C ATOM 719 C GLU A 43 14.939 4.953 0.681 1.00 53.30 C ATOM 720 O GLU A 43 15.463 3.987 0.127 1.00 72.11 O ATOM 721 CB GLU A 43 14.328 5.680 2.996 1.00 52.22 C ATOM 722 CG GLU A 43 14.780 5.779 4.443 1.00 12.41 C ATOM 723 CD GLU A 43 14.649 4.464 5.187 1.00 52.34 C ATOM 724 OE1 GLU A 43 15.380 3.513 4.841 1.00 25.12 O ATOM 725 OE2 GLU A 43 13.815 4.386 6.113 1.00 42.21 O ATOM 0 H GLU A 43 15.651 7.475 1.373 1.00 33.12 H new ATOM 0 HA GLU A 43 16.175 4.751 2.415 1.00 63.25 H new ATOM 0 HB2 GLU A 43 13.784 6.587 2.731 1.00 52.22 H new ATOM 0 HB3 GLU A 43 13.630 4.849 2.898 1.00 52.22 H new ATOM 0 HG2 GLU A 43 15.819 6.107 4.473 1.00 12.41 H new ATOM 0 HG3 GLU A 43 14.190 6.541 4.953 1.00 12.41 H new ATOM 732 N ARG A 44 13.888 5.593 0.179 1.00 54.21 N ATOM 733 CA ARG A 44 13.275 5.186 -1.080 1.00 42.30 C ATOM 734 C ARG A 44 14.197 5.493 -2.257 1.00 31.51 C ATOM 735 O ARG A 44 14.440 4.636 -3.108 1.00 53.25 O ATOM 736 CB ARG A 44 11.933 5.895 -1.272 1.00 2.34 C ATOM 737 CG ARG A 44 10.822 5.344 -0.393 1.00 23.20 C ATOM 738 CD ARG A 44 10.006 4.289 -1.123 1.00 64.43 C ATOM 739 NE ARG A 44 10.447 2.935 -0.799 1.00 65.44 N ATOM 740 CZ ARG A 44 9.935 1.842 -1.354 1.00 52.14 C ATOM 741 NH1 ARG A 44 8.968 1.944 -2.256 1.00 64.15 N ATOM 742 NH2 ARG A 44 10.389 0.645 -1.008 1.00 21.53 N ATOM 0 H ARG A 44 13.443 6.395 0.625 1.00 54.21 H new ATOM 0 HA ARG A 44 13.107 4.110 -1.042 1.00 42.30 H new ATOM 0 HB2 ARG A 44 12.059 6.957 -1.061 1.00 2.34 H new ATOM 0 HB3 ARG A 44 11.634 5.811 -2.317 1.00 2.34 H new ATOM 0 HG2 ARG A 44 11.252 4.912 0.511 1.00 23.20 H new ATOM 0 HG3 ARG A 44 10.168 6.157 -0.078 1.00 23.20 H new ATOM 0 HD2 ARG A 44 8.954 4.400 -0.862 1.00 64.43 H new ATOM 0 HD3 ARG A 44 10.086 4.449 -2.198 1.00 64.43 H new ATOM 0 HE ARG A 44 11.189 2.822 -0.108 1.00 65.44 H new ATOM 0 HH11 ARG A 44 8.616 2.863 -2.525 1.00 64.15 H new ATOM 0 HH12 ARG A 44 8.576 1.104 -2.681 1.00 64.15 H new ATOM 0 HH21 ARG A 44 11.133 0.562 -0.315 1.00 21.53 H new ATOM 0 HH22 ARG A 44 9.995 -0.193 -1.435 1.00 21.53 H new ATOM 756 N LEU A 45 14.707 6.718 -2.299 1.00 0.43 N ATOM 757 CA LEU A 45 15.602 7.139 -3.371 1.00 60.54 C ATOM 758 C LEU A 45 16.645 6.065 -3.662 1.00 64.41 C ATOM 759 O LEU A 45 16.756 5.558 -4.779 1.00 3.12 O ATOM 760 CB LEU A 45 16.294 8.451 -3.000 1.00 3.10 C ATOM 761 CG LEU A 45 17.680 8.674 -3.607 1.00 52.31 C ATOM 762 CD1 LEU A 45 17.649 8.438 -5.109 1.00 53.31 C ATOM 763 CD2 LEU A 45 18.178 10.078 -3.296 1.00 44.02 C ATOM 0 H LEU A 45 14.516 7.438 -1.602 1.00 0.43 H new ATOM 0 HA LEU A 45 15.005 7.293 -4.270 1.00 60.54 H new ATOM 0 HB2 LEU A 45 15.650 9.277 -3.303 1.00 3.10 H new ATOM 0 HB3 LEU A 45 16.383 8.497 -1.915 1.00 3.10 H new ATOM 0 HG LEU A 45 18.371 7.958 -3.162 1.00 52.31 H new ATOM 0 HD11 LEU A 45 18.644 8.601 -5.524 1.00 53.31 H new ATOM 0 HD12 LEU A 45 17.336 7.413 -5.310 1.00 53.31 H new ATOM 0 HD13 LEU A 45 16.945 9.130 -5.572 1.00 53.31 H new ATOM 0 HD21 LEU A 45 19.165 10.219 -3.735 1.00 44.02 H new ATOM 0 HD22 LEU A 45 17.487 10.810 -3.714 1.00 44.02 H new ATOM 0 HD23 LEU A 45 18.239 10.211 -2.216 1.00 44.02 H new ATOM 775 N PRO A 46 17.428 5.706 -2.634 1.00 3.03 N ATOM 776 CA PRO A 46 18.475 4.687 -2.753 1.00 72.54 C ATOM 777 C PRO A 46 17.901 3.285 -2.932 1.00 41.15 C ATOM 778 O PRO A 46 18.509 2.434 -3.581 1.00 3.42 O ATOM 779 CB PRO A 46 19.226 4.791 -1.423 1.00 55.05 C ATOM 780 CG PRO A 46 18.228 5.350 -0.468 1.00 61.23 C ATOM 781 CD PRO A 46 17.352 6.268 -1.275 1.00 32.13 C ATOM 0 HA PRO A 46 19.105 4.851 -3.627 1.00 72.54 H new ATOM 0 HB2 PRO A 46 19.586 3.816 -1.094 1.00 55.05 H new ATOM 0 HB3 PRO A 46 20.098 5.440 -1.510 1.00 55.05 H new ATOM 0 HG2 PRO A 46 17.641 4.555 -0.007 1.00 61.23 H new ATOM 0 HG3 PRO A 46 18.721 5.891 0.340 1.00 61.23 H new ATOM 0 HD2 PRO A 46 16.328 6.278 -0.901 1.00 32.13 H new ATOM 0 HD3 PRO A 46 17.712 7.296 -1.245 1.00 32.13 H new ATOM 789 N GLU A 47 16.727 3.053 -2.354 1.00 31.20 N ATOM 790 CA GLU A 47 16.072 1.753 -2.451 1.00 3.44 C ATOM 791 C GLU A 47 15.683 1.446 -3.894 1.00 4.02 C ATOM 792 O GLU A 47 15.860 0.324 -4.370 1.00 12.14 O ATOM 793 CB GLU A 47 14.831 1.715 -1.557 1.00 53.31 C ATOM 794 CG GLU A 47 15.095 1.151 -0.171 1.00 61.04 C ATOM 795 CD GLU A 47 15.095 -0.365 -0.149 1.00 63.21 C ATOM 796 OE1 GLU A 47 16.120 -0.965 -0.537 1.00 12.33 O ATOM 797 OE2 GLU A 47 14.070 -0.952 0.256 1.00 21.14 O ATOM 0 H GLU A 47 16.210 3.747 -1.814 1.00 31.20 H new ATOM 0 HA GLU A 47 16.777 0.993 -2.114 1.00 3.44 H new ATOM 0 HB2 GLU A 47 14.433 2.725 -1.459 1.00 53.31 H new ATOM 0 HB3 GLU A 47 14.062 1.115 -2.043 1.00 53.31 H new ATOM 0 HG2 GLU A 47 16.057 1.516 0.189 1.00 61.04 H new ATOM 0 HG3 GLU A 47 14.336 1.521 0.518 1.00 61.04 H new ATOM 804 N ILE A 48 15.153 2.450 -4.584 1.00 43.01 N ATOM 805 CA ILE A 48 14.740 2.288 -5.972 1.00 70.44 C ATOM 806 C ILE A 48 15.876 2.635 -6.928 1.00 60.04 C ATOM 807 O ILE A 48 15.919 2.151 -8.059 1.00 1.52 O ATOM 808 CB ILE A 48 13.519 3.167 -6.303 1.00 22.42 C ATOM 809 CG1 ILE A 48 13.788 4.620 -5.908 1.00 42.23 C ATOM 810 CG2 ILE A 48 12.280 2.640 -5.594 1.00 2.32 C ATOM 811 CD1 ILE A 48 13.427 5.616 -6.988 1.00 44.03 C ATOM 0 H ILE A 48 15.000 3.384 -4.204 1.00 43.01 H new ATOM 0 HA ILE A 48 14.468 1.240 -6.100 1.00 70.44 H new ATOM 0 HB ILE A 48 13.342 3.129 -7.378 1.00 22.42 H new ATOM 0 HG12 ILE A 48 13.223 4.854 -5.006 1.00 42.23 H new ATOM 0 HG13 ILE A 48 14.844 4.731 -5.660 1.00 42.23 H new ATOM 0 HG21 ILE A 48 11.425 3.271 -5.837 1.00 2.32 H new ATOM 0 HG22 ILE A 48 12.081 1.619 -5.919 1.00 2.32 H new ATOM 0 HG23 ILE A 48 12.445 2.652 -4.517 1.00 2.32 H new ATOM 0 HD11 ILE A 48 13.644 6.626 -6.639 1.00 44.03 H new ATOM 0 HD12 ILE A 48 14.011 5.408 -7.884 1.00 44.03 H new ATOM 0 HD13 ILE A 48 12.365 5.533 -7.220 1.00 44.03 H new ATOM 823 N ASN A 49 16.796 3.475 -6.465 1.00 53.44 N ATOM 824 CA ASN A 49 17.934 3.887 -7.279 1.00 71.11 C ATOM 825 C ASN A 49 19.149 4.181 -6.405 1.00 43.21 C ATOM 826 O ASN A 49 19.277 5.255 -5.817 1.00 52.30 O ATOM 827 CB ASN A 49 17.576 5.123 -8.107 1.00 35.14 C ATOM 828 CG ASN A 49 18.017 4.999 -9.552 1.00 75.42 C ATOM 829 OD1 ASN A 49 19.125 4.545 -9.838 1.00 34.41 O ATOM 830 ND2 ASN A 49 17.148 5.403 -10.472 1.00 65.12 N ATOM 0 H ASN A 49 16.776 3.884 -5.531 1.00 53.44 H new ATOM 0 HA ASN A 49 18.183 3.067 -7.953 1.00 71.11 H new ATOM 0 HB2 ASN A 49 16.498 5.281 -8.071 1.00 35.14 H new ATOM 0 HB3 ASN A 49 18.042 6.002 -7.662 1.00 35.14 H new ATOM 0 HD21 ASN A 49 17.388 5.343 -11.462 1.00 65.12 H new ATOM 0 HD22 ASN A 49 16.241 5.773 -10.189 1.00 65.12 H new ATOM 837 N PRO A 50 20.065 3.205 -6.317 1.00 41.12 N ATOM 838 CA PRO A 50 21.287 3.336 -5.519 1.00 4.14 C ATOM 839 C PRO A 50 22.268 4.337 -6.120 1.00 65.51 C ATOM 840 O PRO A 50 22.937 5.076 -5.397 1.00 63.35 O ATOM 841 CB PRO A 50 21.880 1.925 -5.543 1.00 62.03 C ATOM 842 CG PRO A 50 21.349 1.313 -6.793 1.00 72.22 C ATOM 843 CD PRO A 50 19.978 1.899 -6.991 1.00 62.31 C ATOM 0 HA PRO A 50 21.080 3.709 -4.516 1.00 4.14 H new ATOM 0 HB2 PRO A 50 22.970 1.953 -5.548 1.00 62.03 H new ATOM 0 HB3 PRO A 50 21.580 1.354 -4.664 1.00 62.03 H new ATOM 0 HG2 PRO A 50 21.995 1.536 -7.642 1.00 72.22 H new ATOM 0 HG3 PRO A 50 21.301 0.228 -6.706 1.00 72.22 H new ATOM 0 HD2 PRO A 50 19.736 2.008 -8.048 1.00 62.31 H new ATOM 0 HD3 PRO A 50 19.205 1.270 -6.550 1.00 62.31 H new ATOM 851 N ASP A 51 22.349 4.355 -7.446 1.00 20.11 N ATOM 852 CA ASP A 51 23.248 5.266 -8.145 1.00 13.43 C ATOM 853 C ASP A 51 22.800 6.714 -7.966 1.00 62.24 C ATOM 854 O ASP A 51 23.599 7.583 -7.615 1.00 42.14 O ATOM 855 CB ASP A 51 23.307 4.917 -9.633 1.00 14.43 C ATOM 856 CG ASP A 51 24.082 3.642 -9.898 1.00 2.00 C ATOM 857 OD1 ASP A 51 24.343 2.895 -8.932 1.00 42.11 O ATOM 858 OD2 ASP A 51 24.429 3.391 -11.071 1.00 50.24 O ATOM 0 H ASP A 51 21.803 3.749 -8.058 1.00 20.11 H new ATOM 0 HA ASP A 51 24.244 5.156 -7.715 1.00 13.43 H new ATOM 0 HB2 ASP A 51 22.293 4.809 -10.018 1.00 14.43 H new ATOM 0 HB3 ASP A 51 23.769 5.740 -10.178 1.00 14.43 H new ATOM 863 N LEU A 52 21.519 6.966 -8.211 1.00 61.12 N ATOM 864 CA LEU A 52 20.965 8.309 -8.079 1.00 33.24 C ATOM 865 C LEU A 52 21.054 8.795 -6.636 1.00 23.14 C ATOM 866 O LEU A 52 21.116 9.997 -6.378 1.00 33.42 O ATOM 867 CB LEU A 52 19.508 8.329 -8.546 1.00 44.02 C ATOM 868 CG LEU A 52 19.186 9.281 -9.698 1.00 45.53 C ATOM 869 CD1 LEU A 52 17.775 9.041 -10.211 1.00 41.11 C ATOM 870 CD2 LEU A 52 19.357 10.728 -9.258 1.00 13.12 C ATOM 0 H LEU A 52 20.845 6.258 -8.502 1.00 61.12 H new ATOM 0 HA LEU A 52 21.551 8.980 -8.707 1.00 33.24 H new ATOM 0 HB2 LEU A 52 19.230 7.319 -8.847 1.00 44.02 H new ATOM 0 HB3 LEU A 52 18.879 8.593 -7.696 1.00 44.02 H new ATOM 0 HG LEU A 52 19.884 9.085 -10.512 1.00 45.53 H new ATOM 0 HD11 LEU A 52 17.564 9.728 -11.031 1.00 41.11 H new ATOM 0 HD12 LEU A 52 17.687 8.014 -10.566 1.00 41.11 H new ATOM 0 HD13 LEU A 52 17.061 9.209 -9.404 1.00 41.11 H new ATOM 0 HD21 LEU A 52 19.124 11.392 -10.091 1.00 13.12 H new ATOM 0 HD22 LEU A 52 18.683 10.938 -8.427 1.00 13.12 H new ATOM 0 HD23 LEU A 52 20.387 10.893 -8.941 1.00 13.12 H new ATOM 882 N ALA A 53 21.063 7.852 -5.699 1.00 3.43 N ATOM 883 CA ALA A 53 21.150 8.184 -4.282 1.00 51.30 C ATOM 884 C ALA A 53 22.498 8.814 -3.947 1.00 53.11 C ATOM 885 O ALA A 53 22.615 9.580 -2.992 1.00 1.31 O ATOM 886 CB ALA A 53 20.920 6.942 -3.434 1.00 2.21 C ATOM 0 H ALA A 53 21.011 6.852 -5.896 1.00 3.43 H new ATOM 0 HA ALA A 53 20.372 8.913 -4.057 1.00 51.30 H new ATOM 0 HB1 ALA A 53 20.988 7.205 -2.378 1.00 2.21 H new ATOM 0 HB2 ALA A 53 19.930 6.536 -3.644 1.00 2.21 H new ATOM 0 HB3 ALA A 53 21.677 6.194 -3.671 1.00 2.21 H new ATOM 892 N ASN A 54 23.513 8.485 -4.740 1.00 33.25 N ATOM 893 CA ASN A 54 24.853 9.018 -4.526 1.00 24.44 C ATOM 894 C ASN A 54 24.896 10.516 -4.812 1.00 74.50 C ATOM 895 O ASN A 54 25.613 11.264 -4.149 1.00 70.30 O ATOM 896 CB ASN A 54 25.862 8.288 -5.415 1.00 5.31 C ATOM 897 CG ASN A 54 26.814 7.418 -4.617 1.00 35.34 C ATOM 898 OD1 ASN A 54 27.799 7.903 -4.061 1.00 13.35 O ATOM 899 ND2 ASN A 54 26.522 6.124 -4.557 1.00 31.40 N ATOM 0 H ASN A 54 23.433 7.852 -5.536 1.00 33.25 H new ATOM 0 HA ASN A 54 25.117 8.859 -3.481 1.00 24.44 H new ATOM 0 HB2 ASN A 54 25.326 7.670 -6.135 1.00 5.31 H new ATOM 0 HB3 ASN A 54 26.434 9.019 -5.986 1.00 5.31 H new ATOM 0 HD21 ASN A 54 27.125 5.489 -4.034 1.00 31.40 H new ATOM 0 HD22 ASN A 54 25.695 5.765 -5.034 1.00 31.40 H new ATOM 906 N GLU A 55 24.121 10.945 -5.804 1.00 2.04 N ATOM 907 CA GLU A 55 24.071 12.354 -6.177 1.00 73.43 C ATOM 908 C GLU A 55 23.784 13.229 -4.961 1.00 13.21 C ATOM 909 O GLU A 55 24.559 14.128 -4.632 1.00 35.40 O ATOM 910 CB GLU A 55 23.001 12.582 -7.248 1.00 5.23 C ATOM 911 CG GLU A 55 23.095 11.617 -8.417 1.00 74.51 C ATOM 912 CD GLU A 55 22.218 12.028 -9.584 1.00 63.53 C ATOM 913 OE1 GLU A 55 21.471 13.018 -9.446 1.00 32.02 O ATOM 914 OE2 GLU A 55 22.281 11.358 -10.637 1.00 11.11 O ATOM 0 H GLU A 55 23.521 10.338 -6.362 1.00 2.04 H new ATOM 0 HA GLU A 55 25.045 12.632 -6.581 1.00 73.43 H new ATOM 0 HB2 GLU A 55 22.016 12.491 -6.791 1.00 5.23 H new ATOM 0 HB3 GLU A 55 23.085 13.602 -7.622 1.00 5.23 H new ATOM 0 HG2 GLU A 55 24.131 11.555 -8.750 1.00 74.51 H new ATOM 0 HG3 GLU A 55 22.807 10.620 -8.084 1.00 74.51 H new ATOM 921 N VAL A 56 22.664 12.961 -4.297 1.00 31.22 N ATOM 922 CA VAL A 56 22.274 13.723 -3.117 1.00 33.13 C ATOM 923 C VAL A 56 23.278 13.536 -1.985 1.00 31.11 C ATOM 924 O VAL A 56 23.429 14.403 -1.124 1.00 43.23 O ATOM 925 CB VAL A 56 20.875 13.312 -2.620 1.00 71.52 C ATOM 926 CG1 VAL A 56 20.871 11.856 -2.180 1.00 21.41 C ATOM 927 CG2 VAL A 56 20.423 14.221 -1.487 1.00 63.14 C ATOM 0 H VAL A 56 22.011 12.222 -4.556 1.00 31.22 H new ATOM 0 HA VAL A 56 22.253 14.772 -3.411 1.00 33.13 H new ATOM 0 HB VAL A 56 20.170 13.420 -3.444 1.00 71.52 H new ATOM 0 HG11 VAL A 56 19.875 11.584 -1.832 1.00 21.41 H new ATOM 0 HG12 VAL A 56 21.148 11.221 -3.021 1.00 21.41 H new ATOM 0 HG13 VAL A 56 21.588 11.719 -1.371 1.00 21.41 H new ATOM 0 HG21 VAL A 56 19.433 13.916 -1.149 1.00 63.14 H new ATOM 0 HG22 VAL A 56 21.128 14.148 -0.659 1.00 63.14 H new ATOM 0 HG23 VAL A 56 20.384 15.251 -1.841 1.00 63.14 H new ATOM 937 N LYS A 57 23.964 12.398 -1.992 1.00 35.32 N ATOM 938 CA LYS A 57 24.956 12.096 -0.967 1.00 70.43 C ATOM 939 C LYS A 57 26.237 12.890 -1.200 1.00 1.13 C ATOM 940 O LYS A 57 26.959 13.210 -0.256 1.00 21.21 O ATOM 941 CB LYS A 57 25.267 10.597 -0.956 1.00 4.32 C ATOM 942 CG LYS A 57 26.525 10.243 -0.181 1.00 12.32 C ATOM 943 CD LYS A 57 26.427 10.682 1.271 1.00 44.54 C ATOM 944 CE LYS A 57 25.377 9.883 2.026 1.00 74.14 C ATOM 945 NZ LYS A 57 25.992 8.925 2.986 1.00 42.43 N ATOM 0 H LYS A 57 23.851 11.669 -2.697 1.00 35.32 H new ATOM 0 HA LYS A 57 24.543 12.382 0.000 1.00 70.43 H new ATOM 0 HB2 LYS A 57 24.421 10.062 -0.524 1.00 4.32 H new ATOM 0 HB3 LYS A 57 25.373 10.249 -1.983 1.00 4.32 H new ATOM 0 HG2 LYS A 57 26.691 9.167 -0.226 1.00 12.32 H new ATOM 0 HG3 LYS A 57 27.387 10.718 -0.648 1.00 12.32 H new ATOM 0 HD2 LYS A 57 27.396 10.560 1.755 1.00 44.54 H new ATOM 0 HD3 LYS A 57 26.180 11.743 1.315 1.00 44.54 H new ATOM 0 HE2 LYS A 57 24.720 10.565 2.565 1.00 74.14 H new ATOM 0 HE3 LYS A 57 24.756 9.337 1.316 1.00 74.14 H new ATOM 0 HZ1 LYS A 57 25.243 8.400 3.480 1.00 42.43 H new ATOM 0 HZ2 LYS A 57 26.599 8.257 2.469 1.00 42.43 H new ATOM 0 HZ3 LYS A 57 26.564 9.448 3.680 1.00 42.43 H new ATOM 959 N GLU A 58 26.512 13.206 -2.461 1.00 55.25 N ATOM 960 CA GLU A 58 27.706 13.964 -2.816 1.00 13.20 C ATOM 961 C GLU A 58 27.644 15.376 -2.241 1.00 4.41 C ATOM 962 O GLU A 58 28.558 15.813 -1.540 1.00 62.51 O ATOM 963 CB GLU A 58 27.864 14.027 -4.337 1.00 10.34 C ATOM 964 CG GLU A 58 28.367 12.732 -4.950 1.00 64.24 C ATOM 965 CD GLU A 58 29.080 12.950 -6.271 1.00 51.20 C ATOM 966 OE1 GLU A 58 28.396 13.241 -7.274 1.00 75.22 O ATOM 967 OE2 GLU A 58 30.323 12.831 -6.301 1.00 32.43 O ATOM 0 H GLU A 58 25.924 12.949 -3.254 1.00 55.25 H new ATOM 0 HA GLU A 58 28.570 13.454 -2.389 1.00 13.20 H new ATOM 0 HB2 GLU A 58 26.903 14.281 -4.784 1.00 10.34 H new ATOM 0 HB3 GLU A 58 28.555 14.831 -4.589 1.00 10.34 H new ATOM 0 HG2 GLU A 58 29.046 12.243 -4.251 1.00 64.24 H new ATOM 0 HG3 GLU A 58 27.526 12.056 -5.103 1.00 64.24 H new ATOM 974 N ILE A 59 26.562 16.085 -2.543 1.00 10.30 N ATOM 975 CA ILE A 59 26.381 17.447 -2.056 1.00 40.22 C ATOM 976 C ILE A 59 26.426 17.497 -0.533 1.00 2.03 C ATOM 977 O ILE A 59 26.852 18.493 0.055 1.00 71.44 O ATOM 978 CB ILE A 59 25.046 18.045 -2.539 1.00 21.12 C ATOM 979 CG1 ILE A 59 23.873 17.201 -2.036 1.00 61.22 C ATOM 980 CG2 ILE A 59 25.026 18.139 -4.057 1.00 61.21 C ATOM 981 CD1 ILE A 59 22.520 17.757 -2.421 1.00 70.22 C ATOM 0 H ILE A 59 25.797 15.739 -3.123 1.00 10.30 H new ATOM 0 HA ILE A 59 27.202 18.038 -2.461 1.00 40.22 H new ATOM 0 HB ILE A 59 24.946 19.051 -2.131 1.00 21.12 H new ATOM 0 HG12 ILE A 59 23.967 16.190 -2.432 1.00 61.22 H new ATOM 0 HG13 ILE A 59 23.930 17.125 -0.950 1.00 61.22 H new ATOM 0 HG21 ILE A 59 24.076 18.563 -4.383 1.00 61.21 H new ATOM 0 HG22 ILE A 59 25.843 18.778 -4.393 1.00 61.21 H new ATOM 0 HG23 ILE A 59 25.144 17.143 -4.485 1.00 61.21 H new ATOM 0 HD11 ILE A 59 21.736 17.108 -2.031 1.00 70.22 H new ATOM 0 HD12 ILE A 59 22.405 18.757 -2.002 1.00 70.22 H new ATOM 0 HD13 ILE A 59 22.443 17.807 -3.507 1.00 70.22 H new ATOM 993 N LEU A 60 25.986 16.416 0.102 1.00 3.32 N ATOM 994 CA LEU A 60 25.978 16.335 1.559 1.00 60.13 C ATOM 995 C LEU A 60 27.392 16.452 2.119 1.00 50.33 C ATOM 996 O LEU A 60 27.640 17.219 3.049 1.00 2.13 O ATOM 997 CB LEU A 60 25.345 15.018 2.012 1.00 4.10 C ATOM 998 CG LEU A 60 23.817 14.979 2.031 1.00 11.31 C ATOM 999 CD1 LEU A 60 23.323 13.613 2.481 1.00 61.02 C ATOM 1000 CD2 LEU A 60 23.267 16.072 2.936 1.00 31.35 C ATOM 0 H LEU A 60 25.630 15.584 -0.369 1.00 3.32 H new ATOM 0 HA LEU A 60 25.386 17.167 1.942 1.00 60.13 H new ATOM 0 HB2 LEU A 60 25.701 14.223 1.357 1.00 4.10 H new ATOM 0 HB3 LEU A 60 25.707 14.790 3.015 1.00 4.10 H new ATOM 0 HG LEU A 60 23.456 15.157 1.018 1.00 11.31 H new ATOM 0 HD11 LEU A 60 22.233 13.605 2.488 1.00 61.02 H new ATOM 0 HD12 LEU A 60 23.687 12.850 1.793 1.00 61.02 H new ATOM 0 HD13 LEU A 60 23.694 13.404 3.484 1.00 61.02 H new ATOM 0 HD21 LEU A 60 22.178 16.029 2.937 1.00 31.35 H new ATOM 0 HD22 LEU A 60 23.637 15.925 3.951 1.00 31.35 H new ATOM 0 HD23 LEU A 60 23.591 17.046 2.569 1.00 31.35 H new ATOM 1012 N ASP A 61 28.315 15.689 1.544 1.00 2.14 N ATOM 1013 CA ASP A 61 29.706 15.710 1.984 1.00 73.33 C ATOM 1014 C ASP A 61 30.287 17.116 1.881 1.00 42.32 C ATOM 1015 O ASP A 61 31.216 17.469 2.607 1.00 3.44 O ATOM 1016 CB ASP A 61 30.541 14.737 1.150 1.00 72.13 C ATOM 1017 CG ASP A 61 31.936 14.545 1.710 1.00 64.34 C ATOM 1018 OD1 ASP A 61 32.743 15.494 1.630 1.00 43.34 O ATOM 1019 OD2 ASP A 61 32.222 13.444 2.227 1.00 2.42 O ATOM 0 H ASP A 61 28.126 15.049 0.773 1.00 2.14 H new ATOM 0 HA ASP A 61 29.736 15.400 3.028 1.00 73.33 H new ATOM 0 HB2 ASP A 61 30.034 13.773 1.106 1.00 72.13 H new ATOM 0 HB3 ASP A 61 30.611 15.107 0.127 1.00 72.13 H new ATOM 1024 N TYR A 62 29.735 17.914 0.974 1.00 42.15 N ATOM 1025 CA TYR A 62 30.201 19.281 0.773 1.00 64.01 C ATOM 1026 C TYR A 62 29.511 20.239 1.739 1.00 43.22 C ATOM 1027 O TYR A 62 30.078 21.260 2.130 1.00 52.42 O ATOM 1028 CB TYR A 62 29.947 19.722 -0.669 1.00 43.25 C ATOM 1029 CG TYR A 62 29.959 21.223 -0.855 1.00 33.25 C ATOM 1030 CD1 TYR A 62 31.130 21.953 -0.696 1.00 13.53 C ATOM 1031 CD2 TYR A 62 28.798 21.910 -1.189 1.00 62.13 C ATOM 1032 CE1 TYR A 62 31.144 23.325 -0.863 1.00 63.41 C ATOM 1033 CE2 TYR A 62 28.804 23.281 -1.360 1.00 72.21 C ATOM 1034 CZ TYR A 62 29.979 23.984 -1.195 1.00 61.44 C ATOM 1035 OH TYR A 62 29.990 25.349 -1.364 1.00 51.35 O ATOM 0 H TYR A 62 28.964 17.638 0.366 1.00 42.15 H new ATOM 0 HA TYR A 62 31.273 19.305 0.969 1.00 64.01 H new ATOM 0 HB2 TYR A 62 30.705 19.278 -1.314 1.00 43.25 H new ATOM 0 HB3 TYR A 62 28.983 19.332 -0.995 1.00 43.25 H new ATOM 0 HD1 TYR A 62 32.045 21.440 -0.438 1.00 13.53 H new ATOM 0 HD2 TYR A 62 27.876 21.363 -1.317 1.00 62.13 H new ATOM 0 HE1 TYR A 62 32.063 23.878 -0.734 1.00 63.41 H new ATOM 0 HE2 TYR A 62 27.893 23.799 -1.621 1.00 72.21 H new ATOM 0 HH TYR A 62 29.089 25.657 -1.597 1.00 51.35 H new ATOM 1045 N HIS A 63 28.284 19.902 2.121 1.00 75.13 N ATOM 1046 CA HIS A 63 27.515 20.731 3.042 1.00 33.22 C ATOM 1047 C HIS A 63 28.157 20.744 4.426 1.00 1.30 C ATOM 1048 O HIS A 63 27.978 21.688 5.196 1.00 31.24 O ATOM 1049 CB HIS A 63 26.076 20.222 3.140 1.00 41.20 C ATOM 1050 CG HIS A 63 25.350 20.224 1.830 1.00 30.40 C ATOM 1051 ND1 HIS A 63 24.300 19.374 1.550 1.00 4.14 N ATOM 1052 CD2 HIS A 63 25.526 20.979 0.721 1.00 44.11 C ATOM 1053 CE1 HIS A 63 23.864 19.606 0.325 1.00 32.33 C ATOM 1054 NE2 HIS A 63 24.591 20.576 -0.200 1.00 33.43 N ATOM 0 H HIS A 63 27.801 19.060 1.807 1.00 75.13 H new ATOM 0 HA HIS A 63 27.507 21.750 2.654 1.00 33.22 H new ATOM 0 HB2 HIS A 63 26.084 19.208 3.540 1.00 41.20 H new ATOM 0 HB3 HIS A 63 25.528 20.841 3.851 1.00 41.20 H new ATOM 0 HD2 HIS A 63 26.265 21.755 0.585 1.00 44.11 H new ATOM 0 HE1 HIS A 63 23.051 19.090 -0.164 1.00 32.33 H new ATOM 0 HE2 HIS A 63 24.476 20.963 -1.137 1.00 33.43 H new ATOM 1062 N LYS A 64 28.906 19.691 4.736 1.00 53.13 N ATOM 1063 CA LYS A 64 29.576 19.581 6.026 1.00 73.20 C ATOM 1064 C LYS A 64 30.906 20.326 6.014 1.00 45.25 C ATOM 1065 O LYS A 64 31.388 20.773 7.054 1.00 24.35 O ATOM 1066 CB LYS A 64 29.806 18.110 6.380 1.00 22.01 C ATOM 1067 CG LYS A 64 28.528 17.354 6.701 1.00 5.22 C ATOM 1068 CD LYS A 64 28.433 16.059 5.912 1.00 40.43 C ATOM 1069 CE LYS A 64 29.089 14.905 6.653 1.00 25.11 C ATOM 1070 NZ LYS A 64 28.088 13.911 7.130 1.00 2.11 N ATOM 0 H LYS A 64 29.064 18.901 4.111 1.00 53.13 H new ATOM 0 HA LYS A 64 28.933 20.034 6.781 1.00 73.20 H new ATOM 0 HB2 LYS A 64 30.309 17.619 5.547 1.00 22.01 H new ATOM 0 HB3 LYS A 64 30.477 18.052 7.237 1.00 22.01 H new ATOM 0 HG2 LYS A 64 28.492 17.134 7.768 1.00 5.22 H new ATOM 0 HG3 LYS A 64 27.666 17.982 6.476 1.00 5.22 H new ATOM 0 HD2 LYS A 64 27.386 15.823 5.723 1.00 40.43 H new ATOM 0 HD3 LYS A 64 28.911 16.188 4.941 1.00 40.43 H new ATOM 0 HE2 LYS A 64 29.805 14.412 5.996 1.00 25.11 H new ATOM 0 HE3 LYS A 64 29.650 15.292 7.504 1.00 25.11 H new ATOM 0 HZ1 LYS A 64 28.575 13.140 7.630 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 27.419 14.375 7.777 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 27.570 13.523 6.316 1.00 2.11 H new ATOM 1084 N SER A 65 31.495 20.458 4.829 1.00 53.21 N ATOM 1085 CA SER A 65 32.771 21.148 4.682 1.00 61.43 C ATOM 1086 C SER A 65 32.641 22.619 5.063 1.00 52.20 C ATOM 1087 O SER A 65 33.386 23.122 5.905 1.00 72.41 O ATOM 1088 CB SER A 65 33.279 21.025 3.244 1.00 75.43 C ATOM 1089 OG SER A 65 33.579 19.678 2.922 1.00 20.44 O ATOM 0 H SER A 65 31.109 20.096 3.957 1.00 53.21 H new ATOM 0 HA SER A 65 33.489 20.679 5.355 1.00 61.43 H new ATOM 0 HB2 SER A 65 32.526 21.408 2.555 1.00 75.43 H new ATOM 0 HB3 SER A 65 34.170 21.640 3.116 1.00 75.43 H new ATOM 0 HG SER A 65 32.747 19.165 2.855 1.00 20.44 H new ATOM 1095 N ILE A 66 31.690 23.304 4.437 1.00 35.21 N ATOM 1096 CA ILE A 66 31.460 24.717 4.711 1.00 43.11 C ATOM 1097 C ILE A 66 30.559 24.902 5.927 1.00 53.43 C ATOM 1098 O ILE A 66 30.303 26.027 6.357 1.00 51.22 O ATOM 1099 CB ILE A 66 30.825 25.429 3.502 1.00 64.13 C ATOM 1100 CG1 ILE A 66 29.307 25.242 3.512 1.00 52.21 C ATOM 1101 CG2 ILE A 66 31.421 24.902 2.204 1.00 14.24 C ATOM 1102 CD1 ILE A 66 28.875 23.795 3.423 1.00 43.15 C ATOM 0 H ILE A 66 31.066 22.903 3.736 1.00 35.21 H new ATOM 0 HA ILE A 66 32.434 25.162 4.913 1.00 43.11 H new ATOM 0 HB ILE A 66 31.041 26.495 3.572 1.00 64.13 H new ATOM 0 HG12 ILE A 66 28.902 25.678 4.425 1.00 52.21 H new ATOM 0 HG13 ILE A 66 28.876 25.793 2.676 1.00 52.21 H new ATOM 0 HG21 ILE A 66 30.962 25.415 1.358 1.00 14.24 H new ATOM 0 HG22 ILE A 66 32.496 25.082 2.198 1.00 14.24 H new ATOM 0 HG23 ILE A 66 31.232 23.831 2.125 1.00 14.24 H new ATOM 0 HD11 ILE A 66 27.787 23.739 3.435 1.00 43.15 H new ATOM 0 HD12 ILE A 66 29.250 23.360 2.497 1.00 43.15 H new ATOM 0 HD13 ILE A 66 29.276 23.243 4.273 1.00 43.15 H new ATOM 1114 N ARG A 67 30.081 23.791 6.477 1.00 4.03 N ATOM 1115 CA ARG A 67 29.209 23.831 7.644 1.00 34.45 C ATOM 1116 C ARG A 67 29.809 24.703 8.743 1.00 23.32 C ATOM 1117 O ARG A 67 29.099 25.453 9.413 1.00 53.44 O ATOM 1118 CB ARG A 67 28.967 22.416 8.176 1.00 45.43 C ATOM 1119 CG ARG A 67 28.158 22.379 9.462 1.00 65.31 C ATOM 1120 CD ARG A 67 29.059 22.409 10.687 1.00 34.02 C ATOM 1121 NE ARG A 67 28.862 21.240 11.540 1.00 33.10 N ATOM 1122 CZ ARG A 67 29.617 20.967 12.598 1.00 35.24 C ATOM 1123 NH1 ARG A 67 30.613 21.775 12.933 1.00 51.24 N ATOM 1124 NH2 ARG A 67 29.375 19.883 13.325 1.00 11.34 N ATOM 0 H ARG A 67 30.283 22.852 6.133 1.00 4.03 H new ATOM 0 HA ARG A 67 28.257 24.265 7.339 1.00 34.45 H new ATOM 0 HB2 ARG A 67 28.449 21.834 7.414 1.00 45.43 H new ATOM 0 HB3 ARG A 67 29.928 21.932 8.348 1.00 45.43 H new ATOM 0 HG2 ARG A 67 27.476 23.229 9.489 1.00 65.31 H new ATOM 0 HG3 ARG A 67 27.545 21.478 9.482 1.00 65.31 H new ATOM 0 HD2 ARG A 67 30.101 22.455 10.370 1.00 34.02 H new ATOM 0 HD3 ARG A 67 28.861 23.314 11.261 1.00 34.02 H new ATOM 0 HE ARG A 67 28.103 20.598 11.311 1.00 33.10 H new ATOM 0 HH11 ARG A 67 30.802 22.609 12.378 1.00 51.24 H new ATOM 0 HH12 ARG A 67 31.191 21.562 13.746 1.00 51.24 H new ATOM 0 HH21 ARG A 67 28.609 19.259 13.071 1.00 11.34 H new ATOM 0 HH22 ARG A 67 29.955 19.674 14.137 1.00 11.34 H new ATOM 1138 N HIS A 68 31.122 24.598 8.924 1.00 61.34 N ATOM 1139 CA HIS A 68 31.819 25.377 9.941 1.00 34.21 C ATOM 1140 C HIS A 68 31.482 26.860 9.815 1.00 64.42 C ATOM 1141 O HIS A 68 31.411 27.578 10.813 1.00 72.02 O ATOM 1142 CB HIS A 68 33.329 25.173 9.824 1.00 24.34 C ATOM 1143 CG HIS A 68 33.929 24.453 10.993 1.00 13.44 C ATOM 1144 ND1 HIS A 68 34.132 25.049 12.220 1.00 13.32 N ATOM 1145 CD2 HIS A 68 34.368 23.179 11.118 1.00 3.34 C ATOM 1146 CE1 HIS A 68 34.672 24.173 13.049 1.00 51.53 C ATOM 1147 NE2 HIS A 68 34.825 23.031 12.405 1.00 64.53 N ATOM 0 H HIS A 68 31.724 23.981 8.379 1.00 61.34 H new ATOM 0 HA HIS A 68 31.488 25.029 10.920 1.00 34.21 H new ATOM 0 HB2 HIS A 68 33.542 24.612 8.914 1.00 24.34 H new ATOM 0 HB3 HIS A 68 33.812 26.145 9.720 1.00 24.34 H new ATOM 0 HD2 HIS A 68 34.360 22.420 10.349 1.00 3.34 H new ATOM 0 HE1 HIS A 68 34.942 24.360 14.078 1.00 51.53 H new ATOM 0 HE2 HIS A 68 35.219 22.177 12.799 1.00 64.53 H new ATOM 1155 N LEU A 69 31.278 27.312 8.583 1.00 72.24 N ATOM 1156 CA LEU A 69 30.950 28.710 8.325 1.00 33.23 C ATOM 1157 C LEU A 69 29.463 28.970 8.546 1.00 20.25 C ATOM 1158 O LEU A 69 29.064 30.076 8.912 1.00 32.51 O ATOM 1159 CB LEU A 69 31.339 29.091 6.896 1.00 75.43 C ATOM 1160 CG LEU A 69 32.812 28.907 6.529 1.00 34.42 C ATOM 1161 CD1 LEU A 69 32.966 28.685 5.032 1.00 14.25 C ATOM 1162 CD2 LEU A 69 33.627 30.110 6.979 1.00 64.20 C ATOM 0 H LEU A 69 31.334 26.731 7.747 1.00 72.24 H new ATOM 0 HA LEU A 69 31.516 29.325 9.025 1.00 33.23 H new ATOM 0 HB2 LEU A 69 30.737 28.499 6.207 1.00 75.43 H new ATOM 0 HB3 LEU A 69 31.073 30.136 6.735 1.00 75.43 H new ATOM 0 HG LEU A 69 33.188 28.024 7.046 1.00 34.42 H new ATOM 0 HD11 LEU A 69 34.021 28.556 4.790 1.00 14.25 H new ATOM 0 HD12 LEU A 69 32.414 27.792 4.738 1.00 14.25 H new ATOM 0 HD13 LEU A 69 32.573 29.548 4.494 1.00 14.25 H new ATOM 0 HD21 LEU A 69 34.673 29.962 6.710 1.00 64.20 H new ATOM 0 HD22 LEU A 69 33.250 31.008 6.490 1.00 64.20 H new ATOM 0 HD23 LEU A 69 33.543 30.223 8.060 1.00 64.20 H new ATOM 1174 N ARG A 70 28.649 27.943 8.324 1.00 14.43 N ATOM 1175 CA ARG A 70 27.206 28.061 8.500 1.00 21.42 C ATOM 1176 C ARG A 70 26.833 28.008 9.979 1.00 53.32 C ATOM 1177 O ARG A 70 25.793 28.525 10.386 1.00 41.23 O ATOM 1178 CB ARG A 70 26.486 26.944 7.742 1.00 51.45 C ATOM 1179 CG ARG A 70 26.988 26.752 6.320 1.00 53.33 C ATOM 1180 CD ARG A 70 26.281 25.595 5.631 1.00 24.02 C ATOM 1181 NE ARG A 70 25.805 25.959 4.299 1.00 21.34 N ATOM 1182 CZ ARG A 70 24.755 26.744 4.083 1.00 25.43 C ATOM 1183 NH1 ARG A 70 24.076 27.245 5.106 1.00 65.30 N ATOM 1184 NH2 ARG A 70 24.383 27.029 2.842 1.00 4.21 N ATOM 0 H ARG A 70 28.964 27.021 8.022 1.00 14.43 H new ATOM 0 HA ARG A 70 26.893 29.025 8.098 1.00 21.42 H new ATOM 0 HB2 ARG A 70 26.605 26.009 8.290 1.00 51.45 H new ATOM 0 HB3 ARG A 70 25.419 27.164 7.715 1.00 51.45 H new ATOM 0 HG2 ARG A 70 26.830 27.668 5.750 1.00 53.33 H new ATOM 0 HG3 ARG A 70 28.062 26.567 6.334 1.00 53.33 H new ATOM 0 HD2 ARG A 70 26.963 24.748 5.553 1.00 24.02 H new ATOM 0 HD3 ARG A 70 25.438 25.270 6.241 1.00 24.02 H new ATOM 0 HE ARG A 70 26.306 25.590 3.491 1.00 21.34 H new ATOM 0 HH11 ARG A 70 24.359 27.028 6.061 1.00 65.30 H new ATOM 0 HH12 ARG A 70 23.270 27.847 4.937 1.00 65.30 H new ATOM 0 HH21 ARG A 70 24.903 26.645 2.053 1.00 4.21 H new ATOM 0 HH22 ARG A 70 23.577 27.632 2.677 1.00 4.21 H new